USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 24 ASN : amide:sc= -0.78 K(o=-1.1,f=-1.8) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.277 X(o=-1.1,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -121:sc= 1.28 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.881 USER MOD Single : A 6 SER OG : rot 77:sc= 0.109 USER MOD Single : A 8 LYS NZ :NH3+ 127:sc=0.000137 (180deg=-0.583) USER MOD Single : A 9 THR OG1 : rot 47:sc= 0.749 USER MOD Single : A 13 SER OG : rot 54:sc= 0.00257 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 16 SER OG : rot 150:sc= -2.19! USER MOD Single : A 22 ASN : amide:sc= 0.291 K(o=0.29,f=-0.31) USER MOD Single : A 25 THR OG1 : rot 150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00828 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 36:sc= -1.79 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4.8! C(o=-4.8!,f=-7.8!) USER MOD Single : A 57 TYR OH : rot 16:sc= -4.59! USER MOD Single : A 59 ASN : amide:sc= -2.98! C(o=-3!,f=-2.5!) USER MOD Single : A 62 ASN : amide:sc= -0.67 K(o=-0.67,f=-1.8!) USER MOD Single : A 74 MET CE :methyl 173:sc= 0 (180deg=-0.0508) USER MOD Single : A 83 ASN : amide:sc= -3.21 K(o=-3.2,f=-2!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 23:sc= 0.778 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.922 -3.380 32.719 1.00 0.00 N ATOM 2 CA GLY A 1 9.425 -2.375 33.643 1.00 0.00 C ATOM 3 C GLY A 1 8.153 -1.716 33.105 1.00 0.00 C ATOM 4 O GLY A 1 7.094 -1.804 33.724 1.00 0.00 O ATOM 0 H1 GLY A 1 10.785 -3.812 33.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.198 -4.114 32.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.139 -2.934 31.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.220 -2.835 34.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.190 -1.616 33.807 1.00 0.00 H new ATOM 8 N SER A 2 8.300 -1.070 31.957 1.00 0.00 N ATOM 9 CA SER A 2 7.177 -0.397 31.328 1.00 0.00 C ATOM 10 C SER A 2 6.257 -1.423 30.663 1.00 0.00 C ATOM 11 O SER A 2 6.504 -1.843 29.534 1.00 0.00 O ATOM 12 CB SER A 2 7.656 0.631 30.301 1.00 0.00 C ATOM 13 OG SER A 2 6.810 1.776 30.256 1.00 0.00 O ATOM 0 H SER A 2 9.180 -0.999 31.447 1.00 0.00 H new ATOM 0 HA SER A 2 6.620 0.133 32.100 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.672 0.941 30.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.692 0.168 29.315 1.00 0.00 H new ATOM 0 HG SER A 2 6.445 1.878 29.352 1.00 0.00 H new ATOM 19 N SER A 3 5.215 -1.796 31.392 1.00 0.00 N ATOM 20 CA SER A 3 4.257 -2.764 30.887 1.00 0.00 C ATOM 21 C SER A 3 3.214 -2.063 30.014 1.00 0.00 C ATOM 22 O SER A 3 3.060 -2.393 28.840 1.00 0.00 O ATOM 23 CB SER A 3 3.574 -3.512 32.033 1.00 0.00 C ATOM 24 OG SER A 3 4.446 -4.454 32.652 1.00 0.00 O ATOM 0 H SER A 3 5.014 -1.445 32.328 1.00 0.00 H new ATOM 0 HA SER A 3 4.795 -3.494 30.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.227 -2.795 32.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.693 -4.029 31.654 1.00 0.00 H new ATOM 0 HG SER A 3 3.973 -4.909 33.379 1.00 0.00 H new ATOM 30 N GLY A 4 2.526 -1.109 30.623 1.00 0.00 N ATOM 31 CA GLY A 4 1.502 -0.358 29.916 1.00 0.00 C ATOM 32 C GLY A 4 1.969 0.015 28.508 1.00 0.00 C ATOM 33 O GLY A 4 1.460 -0.513 27.521 1.00 0.00 O ATOM 0 H GLY A 4 2.657 -0.839 31.598 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.589 -0.950 29.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.259 0.546 30.474 1.00 0.00 H new ATOM 37 N SER A 5 2.934 0.922 28.460 1.00 0.00 N ATOM 38 CA SER A 5 3.475 1.372 27.189 1.00 0.00 C ATOM 39 C SER A 5 4.944 0.960 27.071 1.00 0.00 C ATOM 40 O SER A 5 5.791 1.447 27.819 1.00 0.00 O ATOM 41 CB SER A 5 3.335 2.888 27.036 1.00 0.00 C ATOM 42 OG SER A 5 4.217 3.596 27.903 1.00 0.00 O ATOM 0 H SER A 5 3.355 1.357 29.281 1.00 0.00 H new ATOM 0 HA SER A 5 2.906 0.900 26.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.540 3.168 26.003 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.306 3.180 27.248 1.00 0.00 H new ATOM 0 HG SER A 5 4.980 3.025 28.130 1.00 0.00 H new ATOM 48 N SER A 6 5.201 0.067 26.126 1.00 0.00 N ATOM 49 CA SER A 6 6.553 -0.416 25.901 1.00 0.00 C ATOM 50 C SER A 6 7.071 0.088 24.552 1.00 0.00 C ATOM 51 O SER A 6 6.807 -0.520 23.516 1.00 0.00 O ATOM 52 CB SER A 6 6.608 -1.944 25.954 1.00 0.00 C ATOM 53 OG SER A 6 7.738 -2.412 26.685 1.00 0.00 O ATOM 0 H SER A 6 4.496 -0.334 25.508 1.00 0.00 H new ATOM 0 HA SER A 6 7.191 -0.029 26.695 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.696 -2.324 26.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.643 -2.341 24.939 1.00 0.00 H new ATOM 0 HG SER A 6 7.573 -2.307 27.645 1.00 0.00 H new ATOM 59 N GLY A 7 7.799 1.194 24.609 1.00 0.00 N ATOM 60 CA GLY A 7 8.355 1.786 23.405 1.00 0.00 C ATOM 61 C GLY A 7 9.634 1.062 22.978 1.00 0.00 C ATOM 62 O GLY A 7 10.406 0.609 23.822 1.00 0.00 O ATOM 0 H GLY A 7 8.016 1.695 25.470 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.621 1.740 22.601 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.571 2.840 23.580 1.00 0.00 H new ATOM 66 N LYS A 8 9.818 0.975 21.669 1.00 0.00 N ATOM 67 CA LYS A 8 10.990 0.313 21.121 1.00 0.00 C ATOM 68 C LYS A 8 11.749 1.292 20.222 1.00 0.00 C ATOM 69 O LYS A 8 11.494 1.362 19.021 1.00 0.00 O ATOM 70 CB LYS A 8 10.591 -0.986 20.417 1.00 0.00 C ATOM 71 CG LYS A 8 11.671 -2.056 20.589 1.00 0.00 C ATOM 72 CD LYS A 8 11.253 -3.094 21.632 1.00 0.00 C ATOM 73 CE LYS A 8 12.320 -3.241 22.718 1.00 0.00 C ATOM 74 NZ LYS A 8 12.264 -2.098 23.657 1.00 0.00 N ATOM 0 H LYS A 8 9.176 1.352 20.972 1.00 0.00 H new ATOM 0 HA LYS A 8 11.671 0.019 21.920 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.647 -1.349 20.823 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.429 -0.794 19.356 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.855 -2.548 19.634 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.607 -1.587 20.892 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.306 -2.799 22.085 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.088 -4.056 21.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.168 -4.174 23.261 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.308 -3.296 22.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.189 -2.453 24.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.128 -1.528 23.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.435 -1.509 23.438 1.00 0.00 H new ATOM 88 N THR A 9 12.666 2.022 20.839 1.00 0.00 N ATOM 89 CA THR A 9 13.464 2.993 20.110 1.00 0.00 C ATOM 90 C THR A 9 14.070 2.354 18.859 1.00 0.00 C ATOM 91 O THR A 9 14.971 1.522 18.958 1.00 0.00 O ATOM 92 CB THR A 9 14.510 3.562 21.071 1.00 0.00 C ATOM 93 OG1 THR A 9 15.226 2.416 21.522 1.00 0.00 O ATOM 94 CG2 THR A 9 13.886 4.137 22.344 1.00 0.00 C ATOM 0 H THR A 9 12.874 1.961 21.836 1.00 0.00 H new ATOM 0 HA THR A 9 12.851 3.819 19.749 1.00 0.00 H new ATOM 0 HB THR A 9 15.082 4.340 20.565 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.451 1.849 20.755 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.672 4.527 22.990 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.200 4.942 22.081 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.341 3.352 22.869 1.00 0.00 H new ATOM 102 N ASP A 10 13.552 2.768 17.712 1.00 0.00 N ATOM 103 CA ASP A 10 14.032 2.246 16.444 1.00 0.00 C ATOM 104 C ASP A 10 15.339 2.949 16.069 1.00 0.00 C ATOM 105 O ASP A 10 15.661 4.001 16.618 1.00 0.00 O ATOM 106 CB ASP A 10 13.020 2.503 15.325 1.00 0.00 C ATOM 107 CG ASP A 10 11.955 1.418 15.156 1.00 0.00 C ATOM 108 OD1 ASP A 10 12.348 0.287 14.797 1.00 0.00 O ATOM 109 OD2 ASP A 10 10.771 1.744 15.389 1.00 0.00 O ATOM 0 H ASP A 10 12.805 3.458 17.634 1.00 0.00 H new ATOM 0 HA ASP A 10 14.182 1.172 16.556 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.522 3.453 15.517 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.560 2.611 14.384 1.00 0.00 H new ATOM 114 N PRO A 11 16.075 2.322 15.113 1.00 0.00 N ATOM 115 CA PRO A 11 17.339 2.875 14.659 1.00 0.00 C ATOM 116 C PRO A 11 17.113 4.080 13.744 1.00 0.00 C ATOM 117 O PRO A 11 17.807 5.089 13.857 1.00 0.00 O ATOM 118 CB PRO A 11 18.045 1.724 13.961 1.00 0.00 C ATOM 119 CG PRO A 11 16.963 0.704 13.643 1.00 0.00 C ATOM 120 CD PRO A 11 15.724 1.074 14.441 1.00 0.00 C ATOM 0 HA PRO A 11 17.947 3.260 15.477 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.541 2.064 13.052 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.814 1.291 14.601 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.743 0.702 12.575 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.298 -0.301 13.902 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.859 1.204 13.791 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.469 0.295 15.160 1.00 0.00 H new ATOM 128 N ARG A 12 16.138 3.936 12.858 1.00 0.00 N ATOM 129 CA ARG A 12 15.812 5.000 11.924 1.00 0.00 C ATOM 130 C ARG A 12 14.303 5.043 11.675 1.00 0.00 C ATOM 131 O ARG A 12 13.690 6.108 11.737 1.00 0.00 O ATOM 132 CB ARG A 12 16.536 4.804 10.591 1.00 0.00 C ATOM 133 CG ARG A 12 16.734 6.140 9.873 1.00 0.00 C ATOM 134 CD ARG A 12 18.211 6.373 9.544 1.00 0.00 C ATOM 135 NE ARG A 12 18.481 7.823 9.430 1.00 0.00 N ATOM 136 CZ ARG A 12 19.676 8.342 9.115 1.00 0.00 C ATOM 137 NH1 ARG A 12 20.717 7.532 8.881 1.00 0.00 N ATOM 138 NH2 ARG A 12 19.829 9.671 9.034 1.00 0.00 N ATOM 0 H ARG A 12 15.563 3.098 12.767 1.00 0.00 H new ATOM 0 HA ARG A 12 16.138 5.941 12.367 1.00 0.00 H new ATOM 0 HB2 ARG A 12 17.504 4.333 10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.962 4.128 9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 12 16.147 6.154 8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.365 6.952 10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.838 5.938 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.468 5.872 8.610 1.00 0.00 H new ATOM 0 HE ARG A 12 17.710 8.468 9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 12 20.600 6.521 8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 12 21.626 7.927 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.036 10.287 9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 12 20.738 10.066 8.794 1.00 0.00 H new ATOM 152 N SER A 13 13.747 3.872 11.399 1.00 0.00 N ATOM 153 CA SER A 13 12.321 3.763 11.140 1.00 0.00 C ATOM 154 C SER A 13 11.894 2.295 11.177 1.00 0.00 C ATOM 155 O SER A 13 11.295 1.843 12.152 1.00 0.00 O ATOM 156 CB SER A 13 11.957 4.389 9.792 1.00 0.00 C ATOM 157 OG SER A 13 11.172 5.568 9.946 1.00 0.00 O ATOM 0 H SER A 13 14.258 2.991 11.349 1.00 0.00 H new ATOM 0 HA SER A 13 11.788 4.309 11.919 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.869 4.629 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.408 3.664 9.192 1.00 0.00 H new ATOM 0 HG SER A 13 11.630 6.189 10.550 1.00 0.00 H new ATOM 163 N MET A 14 12.218 1.590 10.102 1.00 0.00 N ATOM 164 CA MET A 14 11.875 0.182 9.999 1.00 0.00 C ATOM 165 C MET A 14 10.364 -0.004 9.846 1.00 0.00 C ATOM 166 O MET A 14 9.586 0.874 10.215 1.00 0.00 O ATOM 167 CB MET A 14 12.356 -0.554 11.251 1.00 0.00 C ATOM 168 CG MET A 14 13.015 -1.885 10.885 1.00 0.00 C ATOM 169 SD MET A 14 14.688 -1.929 11.506 1.00 0.00 S ATOM 170 CE MET A 14 15.536 -2.563 10.069 1.00 0.00 C ATOM 0 H MET A 14 12.714 1.968 9.295 1.00 0.00 H new ATOM 0 HA MET A 14 12.364 -0.228 9.116 1.00 0.00 H new ATOM 0 HB2 MET A 14 13.066 0.070 11.794 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.513 -0.733 11.918 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.441 -2.712 11.304 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.017 -2.014 9.803 1.00 0.00 H new ATOM 0 HE1 MET A 14 16.601 -2.653 10.285 1.00 0.00 H new ATOM 0 HE2 MET A 14 15.133 -3.543 9.812 1.00 0.00 H new ATOM 0 HE3 MET A 14 15.393 -1.880 9.231 1.00 0.00 H new ATOM 180 N ASN A 15 9.994 -1.155 9.303 1.00 0.00 N ATOM 181 CA ASN A 15 8.590 -1.468 9.097 1.00 0.00 C ATOM 182 C ASN A 15 7.979 -0.445 8.137 1.00 0.00 C ATOM 183 O ASN A 15 7.218 0.426 8.555 1.00 0.00 O ATOM 184 CB ASN A 15 7.812 -1.404 10.413 1.00 0.00 C ATOM 185 CG ASN A 15 7.591 -2.805 10.988 1.00 0.00 C ATOM 186 OD1 ASN A 15 8.156 -3.186 11.999 1.00 0.00 O ATOM 187 ND2 ASN A 15 6.738 -3.548 10.288 1.00 0.00 N ATOM 0 H ASN A 15 10.642 -1.882 9.000 1.00 0.00 H new ATOM 0 HA ASN A 15 8.526 -2.477 8.689 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.357 -0.793 11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.850 -0.919 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.523 -4.498 10.590 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.299 -3.167 9.450 1.00 0.00 H new ATOM 194 N SER A 16 8.336 -0.584 6.869 1.00 0.00 N ATOM 195 CA SER A 16 7.832 0.317 5.847 1.00 0.00 C ATOM 196 C SER A 16 7.095 -0.477 4.766 1.00 0.00 C ATOM 197 O SER A 16 7.718 -1.024 3.859 1.00 0.00 O ATOM 198 CB SER A 16 8.967 1.133 5.224 1.00 0.00 C ATOM 199 OG SER A 16 9.917 1.557 6.198 1.00 0.00 O ATOM 0 H SER A 16 8.968 -1.307 6.526 1.00 0.00 H new ATOM 0 HA SER A 16 7.136 1.012 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.469 0.534 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.552 2.005 4.719 1.00 0.00 H new ATOM 0 HG SER A 16 10.802 1.629 5.783 1.00 0.00 H new ATOM 205 N ARG A 17 5.777 -0.514 4.900 1.00 0.00 N ATOM 206 CA ARG A 17 4.948 -1.232 3.947 1.00 0.00 C ATOM 207 C ARG A 17 3.566 -0.581 3.850 1.00 0.00 C ATOM 208 O ARG A 17 2.987 -0.193 4.863 1.00 0.00 O ATOM 209 CB ARG A 17 4.786 -2.698 4.352 1.00 0.00 C ATOM 210 CG ARG A 17 5.059 -3.627 3.168 1.00 0.00 C ATOM 211 CD ARG A 17 4.686 -5.072 3.507 1.00 0.00 C ATOM 212 NE ARG A 17 5.910 -5.895 3.631 1.00 0.00 N ATOM 213 CZ ARG A 17 5.918 -7.172 4.035 1.00 0.00 C ATOM 214 NH1 ARG A 17 4.769 -7.781 4.358 1.00 0.00 N ATOM 215 NH2 ARG A 17 7.076 -7.842 4.118 1.00 0.00 N ATOM 0 H ARG A 17 5.263 -0.058 5.654 1.00 0.00 H new ATOM 0 HA ARG A 17 5.444 -1.188 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.471 -2.932 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.776 -2.866 4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.488 -3.294 2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.113 -3.574 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.122 -5.102 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.040 -5.481 2.730 1.00 0.00 H new ATOM 0 HE ARG A 17 6.803 -5.463 3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.887 -7.272 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.776 -8.754 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.952 -7.379 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.082 -8.814 4.426 1.00 0.00 H new ATOM 229 N VAL A 18 3.079 -0.483 2.622 1.00 0.00 N ATOM 230 CA VAL A 18 1.776 0.113 2.380 1.00 0.00 C ATOM 231 C VAL A 18 0.880 -0.902 1.668 1.00 0.00 C ATOM 232 O VAL A 18 1.205 -1.364 0.576 1.00 0.00 O ATOM 233 CB VAL A 18 1.936 1.420 1.600 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.584 2.106 1.398 1.00 0.00 C ATOM 235 CG2 VAL A 18 2.927 2.355 2.295 1.00 0.00 C ATOM 0 H VAL A 18 3.563 -0.806 1.784 1.00 0.00 H new ATOM 0 HA VAL A 18 1.292 0.369 3.322 1.00 0.00 H new ATOM 0 HB VAL A 18 2.339 1.177 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.726 3.032 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.080 1.445 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.141 2.330 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.022 3.276 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.566 2.588 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.900 1.868 2.364 1.00 0.00 H new ATOM 245 N PHE A 19 -0.232 -1.219 2.316 1.00 0.00 N ATOM 246 CA PHE A 19 -1.178 -2.171 1.759 1.00 0.00 C ATOM 247 C PHE A 19 -2.267 -1.456 0.956 1.00 0.00 C ATOM 248 O PHE A 19 -3.167 -0.845 1.531 1.00 0.00 O ATOM 249 CB PHE A 19 -1.825 -2.900 2.938 1.00 0.00 C ATOM 250 CG PHE A 19 -3.104 -3.657 2.574 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.065 -4.654 1.650 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.280 -3.334 3.176 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.251 -5.357 1.313 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.467 -4.037 2.839 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.427 -5.034 1.914 1.00 0.00 C ATOM 0 H PHE A 19 -0.499 -0.833 3.222 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.663 -2.859 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.105 -3.603 3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.054 -2.175 3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.131 -4.911 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.311 -2.543 3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.219 -6.149 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.401 -3.780 3.317 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.329 -5.569 1.657 1.00 0.00 H new ATOM 265 N ILE A 20 -2.149 -1.556 -0.359 1.00 0.00 N ATOM 266 CA ILE A 20 -3.112 -0.926 -1.247 1.00 0.00 C ATOM 267 C ILE A 20 -4.251 -1.907 -1.534 1.00 0.00 C ATOM 268 O ILE A 20 -4.043 -2.932 -2.182 1.00 0.00 O ATOM 269 CB ILE A 20 -2.419 -0.403 -2.506 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.252 0.519 -2.146 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.420 0.279 -3.441 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.083 -0.091 -2.579 1.00 0.00 C ATOM 0 H ILE A 20 -1.401 -2.064 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.555 -0.052 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.004 -1.254 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.387 1.487 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.243 0.697 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.901 0.642 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.187 -0.436 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.886 1.118 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.896 0.584 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.226 -1.048 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.080 -0.245 -3.658 1.00 0.00 H new ATOM 284 N GLY A 21 -5.429 -1.558 -1.039 1.00 0.00 N ATOM 285 CA GLY A 21 -6.601 -2.394 -1.235 1.00 0.00 C ATOM 286 C GLY A 21 -7.596 -1.729 -2.188 1.00 0.00 C ATOM 287 O GLY A 21 -7.353 -0.626 -2.674 1.00 0.00 O ATOM 0 H GLY A 21 -5.597 -0.707 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.299 -3.361 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.082 -2.583 -0.275 1.00 0.00 H new ATOM 291 N ASN A 22 -8.697 -2.429 -2.425 1.00 0.00 N ATOM 292 CA ASN A 22 -9.730 -1.920 -3.311 1.00 0.00 C ATOM 293 C ASN A 22 -9.074 -1.236 -4.512 1.00 0.00 C ATOM 294 O ASN A 22 -9.598 -0.253 -5.033 1.00 0.00 O ATOM 295 CB ASN A 22 -10.606 -0.887 -2.599 1.00 0.00 C ATOM 296 CG ASN A 22 -11.974 -0.769 -3.274 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.654 -1.749 -3.531 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.336 0.481 -3.547 1.00 0.00 N ATOM 0 H ASN A 22 -8.895 -3.343 -2.019 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.348 -2.761 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.735 -1.172 -1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.109 0.083 -2.605 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.232 0.665 -3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.718 1.255 -3.304 1.00 0.00 H new ATOM 305 N LEU A 23 -7.938 -1.784 -4.917 1.00 0.00 N ATOM 306 CA LEU A 23 -7.206 -1.239 -6.048 1.00 0.00 C ATOM 307 C LEU A 23 -7.792 -1.796 -7.346 1.00 0.00 C ATOM 308 O LEU A 23 -7.703 -2.995 -7.608 1.00 0.00 O ATOM 309 CB LEU A 23 -5.706 -1.498 -5.890 1.00 0.00 C ATOM 310 CG LEU A 23 -4.777 -0.542 -6.641 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.438 -1.213 -6.955 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.455 0.003 -7.900 1.00 0.00 C ATOM 0 H LEU A 23 -7.506 -2.600 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.317 -0.155 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.460 -1.454 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.496 -2.514 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.566 0.310 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.796 -0.512 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.954 -1.512 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.609 -2.093 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.774 0.680 -8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.714 -0.824 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.360 0.542 -7.621 1.00 0.00 H new ATOM 324 N ASN A 24 -8.380 -0.900 -8.125 1.00 0.00 N ATOM 325 CA ASN A 24 -8.981 -1.287 -9.390 1.00 0.00 C ATOM 326 C ASN A 24 -7.878 -1.678 -10.376 1.00 0.00 C ATOM 327 O ASN A 24 -7.722 -1.048 -11.420 1.00 0.00 O ATOM 328 CB ASN A 24 -9.772 -0.129 -10.001 1.00 0.00 C ATOM 329 CG ASN A 24 -10.678 -0.620 -11.133 1.00 0.00 C ATOM 330 OD1 ASN A 24 -10.772 -1.802 -11.419 1.00 0.00 O ATOM 331 ND2 ASN A 24 -11.337 0.351 -11.758 1.00 0.00 N ATOM 0 H ASN A 24 -8.453 0.093 -7.904 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.654 -2.124 -9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.375 0.351 -9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.084 0.625 -10.383 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.967 0.126 -12.528 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.212 1.321 -11.468 1.00 0.00 H new ATOM 338 N THR A 25 -7.142 -2.717 -10.008 1.00 0.00 N ATOM 339 CA THR A 25 -6.058 -3.199 -10.847 1.00 0.00 C ATOM 340 C THR A 25 -6.545 -3.402 -12.283 1.00 0.00 C ATOM 341 O THR A 25 -5.749 -3.381 -13.221 1.00 0.00 O ATOM 342 CB THR A 25 -5.498 -4.473 -10.210 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.574 -5.404 -10.291 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.253 -4.317 -8.707 1.00 0.00 C ATOM 0 H THR A 25 -7.275 -3.238 -9.141 1.00 0.00 H new ATOM 0 HA THR A 25 -5.252 -2.468 -10.910 1.00 0.00 H new ATOM 0 HB THR A 25 -4.565 -4.746 -10.704 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.215 -6.313 -10.370 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.856 -5.249 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.536 -3.514 -8.537 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.192 -4.077 -8.208 1.00 0.00 H new ATOM 352 N LEU A 26 -7.849 -3.595 -12.410 1.00 0.00 N ATOM 353 CA LEU A 26 -8.452 -3.802 -13.716 1.00 0.00 C ATOM 354 C LEU A 26 -8.270 -2.540 -14.562 1.00 0.00 C ATOM 355 O LEU A 26 -8.466 -2.569 -15.776 1.00 0.00 O ATOM 356 CB LEU A 26 -9.911 -4.239 -13.570 1.00 0.00 C ATOM 357 CG LEU A 26 -10.174 -5.742 -13.679 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.626 -6.071 -13.327 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.786 -6.269 -15.062 1.00 0.00 C ATOM 0 H LEU A 26 -8.506 -3.612 -11.630 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.951 -4.615 -14.242 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.278 -3.895 -12.603 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.500 -3.731 -14.333 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.542 -6.252 -12.952 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.787 -7.146 -13.412 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.834 -5.753 -12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.294 -5.549 -14.012 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.983 -7.340 -15.112 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.372 -5.756 -15.824 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.726 -6.087 -15.236 1.00 0.00 H new ATOM 371 N VAL A 27 -7.897 -1.462 -13.888 1.00 0.00 N ATOM 372 CA VAL A 27 -7.686 -0.193 -14.563 1.00 0.00 C ATOM 373 C VAL A 27 -6.317 0.367 -14.172 1.00 0.00 C ATOM 374 O VAL A 27 -5.551 0.801 -15.031 1.00 0.00 O ATOM 375 CB VAL A 27 -8.836 0.765 -14.245 1.00 0.00 C ATOM 376 CG1 VAL A 27 -8.600 2.135 -14.884 1.00 0.00 C ATOM 377 CG2 VAL A 27 -10.177 0.177 -14.688 1.00 0.00 C ATOM 0 H VAL A 27 -7.735 -1.441 -12.881 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.684 -0.331 -15.644 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.871 0.901 -13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.432 2.797 -14.643 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.673 2.561 -14.499 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.527 2.024 -15.966 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.978 0.877 -14.451 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.158 -0.002 -15.763 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.352 -0.764 -14.166 1.00 0.00 H new ATOM 387 N VAL A 28 -6.050 0.338 -12.874 1.00 0.00 N ATOM 388 CA VAL A 28 -4.786 0.836 -12.359 1.00 0.00 C ATOM 389 C VAL A 28 -3.677 -0.168 -12.681 1.00 0.00 C ATOM 390 O VAL A 28 -3.927 -1.369 -12.762 1.00 0.00 O ATOM 391 CB VAL A 28 -4.910 1.131 -10.863 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.852 2.139 -10.412 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.318 1.620 -10.515 1.00 0.00 C ATOM 0 H VAL A 28 -6.688 -0.023 -12.164 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.522 1.777 -12.841 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.736 0.200 -10.323 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.963 2.330 -9.345 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.858 1.735 -10.607 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.979 3.071 -10.963 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.379 1.822 -9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.534 2.533 -11.070 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.046 0.853 -10.781 1.00 0.00 H new ATOM 403 N LYS A 29 -2.475 0.362 -12.855 1.00 0.00 N ATOM 404 CA LYS A 29 -1.327 -0.472 -13.166 1.00 0.00 C ATOM 405 C LYS A 29 -0.253 -0.274 -12.095 1.00 0.00 C ATOM 406 O LYS A 29 -0.206 0.768 -11.443 1.00 0.00 O ATOM 407 CB LYS A 29 -0.835 -0.198 -14.589 1.00 0.00 C ATOM 408 CG LYS A 29 0.620 -0.639 -14.760 1.00 0.00 C ATOM 409 CD LYS A 29 0.724 -2.162 -14.853 1.00 0.00 C ATOM 410 CE LYS A 29 2.096 -2.648 -14.381 1.00 0.00 C ATOM 411 NZ LYS A 29 2.624 -3.682 -15.299 1.00 0.00 N ATOM 0 H LYS A 29 -2.272 1.359 -12.786 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.606 -1.526 -13.147 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.465 -0.727 -15.304 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.925 0.865 -14.810 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.037 -0.187 -15.660 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.213 -0.281 -13.919 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.057 -2.621 -14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.556 -2.479 -15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.789 -1.808 -14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.017 -3.055 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.556 -4.001 -14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.970 -4.490 -15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.718 -3.283 -16.255 1.00 0.00 H new ATOM 425 N LYS A 30 0.584 -1.290 -11.947 1.00 0.00 N ATOM 426 CA LYS A 30 1.655 -1.241 -10.966 1.00 0.00 C ATOM 427 C LYS A 30 2.413 0.080 -11.111 1.00 0.00 C ATOM 428 O LYS A 30 2.516 0.849 -10.156 1.00 0.00 O ATOM 429 CB LYS A 30 2.547 -2.478 -11.084 1.00 0.00 C ATOM 430 CG LYS A 30 3.358 -2.693 -9.805 1.00 0.00 C ATOM 431 CD LYS A 30 3.385 -4.173 -9.415 1.00 0.00 C ATOM 432 CE LYS A 30 4.822 -4.692 -9.333 1.00 0.00 C ATOM 433 NZ LYS A 30 4.919 -6.044 -9.929 1.00 0.00 N ATOM 0 H LYS A 30 0.542 -2.152 -12.490 1.00 0.00 H new ATOM 0 HA LYS A 30 1.247 -1.266 -9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.932 -3.356 -11.281 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.222 -2.364 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.376 -2.333 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.926 -2.107 -8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.890 -4.308 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.825 -4.756 -10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.492 -4.009 -9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.145 -4.723 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.901 -6.382 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.294 -6.696 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.630 -6.005 -10.927 1.00 0.00 H new ATOM 447 N SER A 31 2.924 0.303 -12.313 1.00 0.00 N ATOM 448 CA SER A 31 3.669 1.518 -12.595 1.00 0.00 C ATOM 449 C SER A 31 2.875 2.740 -12.129 1.00 0.00 C ATOM 450 O SER A 31 3.451 3.708 -11.636 1.00 0.00 O ATOM 451 CB SER A 31 3.993 1.632 -14.086 1.00 0.00 C ATOM 452 OG SER A 31 5.301 1.154 -14.387 1.00 0.00 O ATOM 0 H SER A 31 2.837 -0.337 -13.102 1.00 0.00 H new ATOM 0 HA SER A 31 4.611 1.476 -12.048 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.259 1.066 -14.660 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.907 2.673 -14.397 1.00 0.00 H new ATOM 0 HG SER A 31 5.468 1.242 -15.349 1.00 0.00 H new ATOM 458 N ASP A 32 1.564 2.655 -12.303 1.00 0.00 N ATOM 459 CA ASP A 32 0.684 3.741 -11.907 1.00 0.00 C ATOM 460 C ASP A 32 0.706 3.879 -10.383 1.00 0.00 C ATOM 461 O ASP A 32 0.628 4.988 -9.856 1.00 0.00 O ATOM 462 CB ASP A 32 -0.758 3.467 -12.336 1.00 0.00 C ATOM 463 CG ASP A 32 -0.926 3.024 -13.791 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.117 2.772 -14.432 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.095 2.947 -14.229 1.00 0.00 O ATOM 0 H ASP A 32 1.090 1.850 -12.713 1.00 0.00 H new ATOM 0 HA ASP A 32 1.036 4.653 -12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.174 2.697 -11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.347 4.370 -12.177 1.00 0.00 H new ATOM 470 N VAL A 33 0.813 2.738 -9.719 1.00 0.00 N ATOM 471 CA VAL A 33 0.845 2.718 -8.266 1.00 0.00 C ATOM 472 C VAL A 33 2.280 2.950 -7.790 1.00 0.00 C ATOM 473 O VAL A 33 2.503 3.319 -6.638 1.00 0.00 O ATOM 474 CB VAL A 33 0.248 1.408 -7.748 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.227 1.383 -6.218 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.152 1.180 -8.320 1.00 0.00 C ATOM 0 H VAL A 33 0.879 1.821 -10.160 1.00 0.00 H new ATOM 0 HA VAL A 33 0.233 3.522 -7.859 1.00 0.00 H new ATOM 0 HB VAL A 33 0.885 0.591 -8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.202 0.441 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.244 1.478 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.376 2.212 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.554 0.242 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.804 2.002 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.097 1.133 -9.408 1.00 0.00 H new ATOM 486 N GLU A 34 3.216 2.725 -8.700 1.00 0.00 N ATOM 487 CA GLU A 34 4.624 2.906 -8.387 1.00 0.00 C ATOM 488 C GLU A 34 5.058 4.339 -8.703 1.00 0.00 C ATOM 489 O GLU A 34 5.958 4.875 -8.058 1.00 0.00 O ATOM 490 CB GLU A 34 5.487 1.892 -9.140 1.00 0.00 C ATOM 491 CG GLU A 34 5.785 0.670 -8.269 1.00 0.00 C ATOM 492 CD GLU A 34 6.616 -0.360 -9.035 1.00 0.00 C ATOM 493 OE1 GLU A 34 6.403 -0.463 -10.262 1.00 0.00 O ATOM 494 OE2 GLU A 34 7.447 -1.022 -8.376 1.00 0.00 O ATOM 0 H GLU A 34 3.027 2.419 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 34 4.765 2.732 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.975 1.578 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.422 2.361 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.321 0.980 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.850 0.216 -7.941 1.00 0.00 H new ATOM 501 N ALA A 35 4.398 4.918 -9.695 1.00 0.00 N ATOM 502 CA ALA A 35 4.705 6.278 -10.105 1.00 0.00 C ATOM 503 C ALA A 35 3.991 7.259 -9.173 1.00 0.00 C ATOM 504 O ALA A 35 4.601 8.207 -8.679 1.00 0.00 O ATOM 505 CB ALA A 35 4.309 6.472 -11.570 1.00 0.00 C ATOM 0 H ALA A 35 3.652 4.470 -10.227 1.00 0.00 H new ATOM 0 HA ALA A 35 5.775 6.470 -10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.539 7.492 -11.877 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.865 5.771 -12.193 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.240 6.291 -11.685 1.00 0.00 H new ATOM 511 N ILE A 36 2.710 6.999 -8.961 1.00 0.00 N ATOM 512 CA ILE A 36 1.907 7.848 -8.097 1.00 0.00 C ATOM 513 C ILE A 36 2.507 7.849 -6.690 1.00 0.00 C ATOM 514 O ILE A 36 2.431 8.851 -5.980 1.00 0.00 O ATOM 515 CB ILE A 36 0.439 7.419 -8.140 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.198 7.775 -9.485 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.339 8.011 -6.963 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.633 7.249 -9.568 1.00 0.00 C ATOM 0 H ILE A 36 2.208 6.212 -9.372 1.00 0.00 H new ATOM 0 HA ILE A 36 1.925 8.879 -8.452 1.00 0.00 H new ATOM 0 HB ILE A 36 0.397 6.334 -8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.195 8.857 -9.618 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.396 7.353 -10.296 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.380 7.691 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.099 7.665 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.291 9.099 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.063 7.515 -10.534 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.630 6.164 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.230 7.692 -8.771 1.00 0.00 H new ATOM 530 N PHE A 37 3.090 6.716 -6.329 1.00 0.00 N ATOM 531 CA PHE A 37 3.703 6.574 -5.019 1.00 0.00 C ATOM 532 C PHE A 37 5.191 6.926 -5.068 1.00 0.00 C ATOM 533 O PHE A 37 5.830 7.083 -4.029 1.00 0.00 O ATOM 534 CB PHE A 37 3.551 5.107 -4.611 1.00 0.00 C ATOM 535 CG PHE A 37 2.118 4.704 -4.256 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.121 4.866 -5.166 1.00 0.00 C ATOM 537 CD2 PHE A 37 1.842 4.185 -3.030 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.209 4.493 -4.836 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.512 3.811 -2.700 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.485 3.973 -3.610 1.00 0.00 C ATOM 0 H PHE A 37 3.151 5.887 -6.921 1.00 0.00 H new ATOM 0 HA PHE A 37 3.222 7.246 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.903 4.476 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.195 4.910 -3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.340 5.278 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.634 4.057 -2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.001 4.622 -5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.293 3.398 -1.726 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.496 3.689 -3.359 1.00 0.00 H new ATOM 550 N SER A 38 5.699 7.039 -6.287 1.00 0.00 N ATOM 551 CA SER A 38 7.100 7.369 -6.485 1.00 0.00 C ATOM 552 C SER A 38 7.367 8.807 -6.035 1.00 0.00 C ATOM 553 O SER A 38 8.517 9.193 -5.829 1.00 0.00 O ATOM 554 CB SER A 38 7.507 7.187 -7.949 1.00 0.00 C ATOM 555 OG SER A 38 8.628 7.994 -8.296 1.00 0.00 O ATOM 0 H SER A 38 5.166 6.908 -7.147 1.00 0.00 H new ATOM 0 HA SER A 38 7.701 6.688 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.745 6.139 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.665 7.440 -8.593 1.00 0.00 H new ATOM 0 HG SER A 38 8.857 7.848 -9.238 1.00 0.00 H new ATOM 561 N LYS A 39 6.286 9.560 -5.897 1.00 0.00 N ATOM 562 CA LYS A 39 6.390 10.947 -5.475 1.00 0.00 C ATOM 563 C LYS A 39 6.350 11.015 -3.947 1.00 0.00 C ATOM 564 O LYS A 39 6.654 12.052 -3.360 1.00 0.00 O ATOM 565 CB LYS A 39 5.315 11.796 -6.156 1.00 0.00 C ATOM 566 CG LYS A 39 4.023 11.807 -5.337 1.00 0.00 C ATOM 567 CD LYS A 39 3.003 12.777 -5.934 1.00 0.00 C ATOM 568 CE LYS A 39 2.255 12.135 -7.105 1.00 0.00 C ATOM 569 NZ LYS A 39 0.798 12.356 -6.973 1.00 0.00 N ATOM 0 H LYS A 39 5.334 9.237 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 39 7.344 11.370 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.678 12.816 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.114 11.404 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.600 10.803 -5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.243 12.093 -4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.292 13.080 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.510 13.680 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.609 12.557 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.465 11.066 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.306 11.914 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.462 11.932 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.601 13.377 -6.966 1.00 0.00 H new ATOM 583 N TYR A 40 5.972 9.896 -3.346 1.00 0.00 N ATOM 584 CA TYR A 40 5.889 9.815 -1.898 1.00 0.00 C ATOM 585 C TYR A 40 7.095 9.073 -1.319 1.00 0.00 C ATOM 586 O TYR A 40 7.014 8.502 -0.232 1.00 0.00 O ATOM 587 CB TYR A 40 4.619 9.018 -1.592 1.00 0.00 C ATOM 588 CG TYR A 40 3.334 9.845 -1.656 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.217 10.997 -0.905 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.292 9.440 -2.465 1.00 0.00 C ATOM 591 CE1 TYR A 40 2.007 11.776 -0.964 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.082 10.219 -2.525 1.00 0.00 C ATOM 593 CZ TYR A 40 1.000 11.348 -1.772 1.00 0.00 C ATOM 594 OH TYR A 40 -0.143 12.084 -1.828 1.00 0.00 O ATOM 0 H TYR A 40 5.720 9.038 -3.836 1.00 0.00 H new ATOM 0 HA TYR A 40 5.873 10.812 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.542 8.191 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.708 8.580 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.033 11.314 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.384 8.539 -3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.902 12.679 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.259 9.913 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.775 11.660 -2.446 1.00 0.00 H new ATOM 604 N GLY A 41 8.185 9.104 -2.072 1.00 0.00 N ATOM 605 CA GLY A 41 9.406 8.440 -1.647 1.00 0.00 C ATOM 606 C GLY A 41 9.862 7.414 -2.686 1.00 0.00 C ATOM 607 O GLY A 41 9.170 7.177 -3.675 1.00 0.00 O ATOM 0 H GLY A 41 8.248 9.578 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.191 9.180 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.241 7.945 -0.690 1.00 0.00 H new ATOM 611 N LYS A 42 11.023 6.831 -2.425 1.00 0.00 N ATOM 612 CA LYS A 42 11.579 5.835 -3.325 1.00 0.00 C ATOM 613 C LYS A 42 11.074 4.449 -2.920 1.00 0.00 C ATOM 614 O LYS A 42 11.201 4.052 -1.763 1.00 0.00 O ATOM 615 CB LYS A 42 13.105 5.945 -3.369 1.00 0.00 C ATOM 616 CG LYS A 42 13.711 4.827 -4.220 1.00 0.00 C ATOM 617 CD LYS A 42 14.629 5.398 -5.303 1.00 0.00 C ATOM 618 CE LYS A 42 15.999 4.718 -5.274 1.00 0.00 C ATOM 619 NZ LYS A 42 16.865 5.339 -4.247 1.00 0.00 N ATOM 0 H LYS A 42 11.594 7.029 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 42 11.240 6.012 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.392 6.914 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.506 5.895 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.274 4.145 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.914 4.245 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.171 5.260 -6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.748 6.471 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.880 3.655 -5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.472 4.797 -6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.791 4.865 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.994 6.348 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.420 5.241 -3.312 1.00 0.00 H new ATOM 633 N ILE A 43 10.512 3.751 -3.896 1.00 0.00 N ATOM 634 CA ILE A 43 9.987 2.417 -3.655 1.00 0.00 C ATOM 635 C ILE A 43 11.101 1.390 -3.863 1.00 0.00 C ATOM 636 O ILE A 43 11.867 1.485 -4.822 1.00 0.00 O ATOM 637 CB ILE A 43 8.749 2.165 -4.518 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.644 3.174 -4.199 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.265 0.721 -4.374 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.468 3.024 -5.167 1.00 0.00 C ATOM 0 H ILE A 43 10.409 4.084 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 43 9.653 2.320 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 43 9.026 2.309 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.298 3.028 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.043 4.187 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.384 0.569 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.055 0.039 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.010 0.525 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.697 3.753 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.812 3.194 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.056 2.018 -5.086 1.00 0.00 H new ATOM 652 N VAL A 44 11.157 0.432 -2.950 1.00 0.00 N ATOM 653 CA VAL A 44 12.165 -0.612 -3.022 1.00 0.00 C ATOM 654 C VAL A 44 11.495 -1.938 -3.388 1.00 0.00 C ATOM 655 O VAL A 44 12.126 -2.815 -3.977 1.00 0.00 O ATOM 656 CB VAL A 44 12.944 -0.679 -1.706 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.503 0.695 -1.330 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.074 -1.244 -0.582 1.00 0.00 C ATOM 0 H VAL A 44 10.521 0.357 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 44 12.891 -0.388 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 44 13.786 -1.356 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.052 0.620 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.174 1.042 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.682 1.403 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.652 -1.281 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.203 -0.605 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.747 -2.250 -0.846 1.00 0.00 H new ATOM 668 N GLY A 45 10.226 -2.043 -3.023 1.00 0.00 N ATOM 669 CA GLY A 45 9.463 -3.247 -3.305 1.00 0.00 C ATOM 670 C GLY A 45 7.969 -2.938 -3.412 1.00 0.00 C ATOM 671 O GLY A 45 7.355 -2.485 -2.447 1.00 0.00 O ATOM 0 H GLY A 45 9.707 -1.314 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.813 -3.694 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.630 -3.981 -2.517 1.00 0.00 H new ATOM 675 N CYS A 46 7.427 -3.194 -4.593 1.00 0.00 N ATOM 676 CA CYS A 46 6.016 -2.948 -4.838 1.00 0.00 C ATOM 677 C CYS A 46 5.427 -4.178 -5.533 1.00 0.00 C ATOM 678 O CYS A 46 6.105 -4.832 -6.324 1.00 0.00 O ATOM 679 CB CYS A 46 5.797 -1.672 -5.655 1.00 0.00 C ATOM 680 SG CYS A 46 4.046 -1.554 -6.174 1.00 0.00 S ATOM 0 H CYS A 46 7.939 -3.569 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 46 5.503 -2.787 -3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.069 -0.799 -5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.445 -1.676 -6.531 1.00 0.00 H new ATOM 0 HG CYS A 46 3.282 -2.027 -5.235 1.00 0.00 H new ATOM 686 N SER A 47 4.172 -4.455 -5.212 1.00 0.00 N ATOM 687 CA SER A 47 3.485 -5.594 -5.796 1.00 0.00 C ATOM 688 C SER A 47 1.995 -5.283 -5.951 1.00 0.00 C ATOM 689 O SER A 47 1.435 -4.506 -5.179 1.00 0.00 O ATOM 690 CB SER A 47 3.679 -6.850 -4.943 1.00 0.00 C ATOM 691 OG SER A 47 5.048 -7.067 -4.616 1.00 0.00 O ATOM 0 H SER A 47 3.613 -3.910 -4.555 1.00 0.00 H new ATOM 0 HA SER A 47 3.914 -5.785 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.097 -6.759 -4.026 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.293 -7.716 -5.480 1.00 0.00 H new ATOM 0 HG SER A 47 5.130 -7.877 -4.070 1.00 0.00 H new ATOM 697 N VAL A 48 1.394 -5.906 -6.955 1.00 0.00 N ATOM 698 CA VAL A 48 -0.020 -5.706 -7.222 1.00 0.00 C ATOM 699 C VAL A 48 -0.678 -7.058 -7.505 1.00 0.00 C ATOM 700 O VAL A 48 -0.321 -7.736 -8.467 1.00 0.00 O ATOM 701 CB VAL A 48 -0.200 -4.702 -8.362 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.648 -4.687 -8.855 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.250 -3.303 -7.938 1.00 0.00 C ATOM 0 H VAL A 48 1.861 -6.550 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.517 -5.280 -6.350 1.00 0.00 H new ATOM 0 HB VAL A 48 0.433 -5.019 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.749 -3.965 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.920 -5.679 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.309 -4.406 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.111 -2.609 -8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.343 -2.973 -7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.303 -3.329 -7.659 1.00 0.00 H new ATOM 713 N HIS A 49 -1.626 -7.409 -6.649 1.00 0.00 N ATOM 714 CA HIS A 49 -2.337 -8.668 -6.796 1.00 0.00 C ATOM 715 C HIS A 49 -3.820 -8.393 -7.055 1.00 0.00 C ATOM 716 O HIS A 49 -4.435 -7.582 -6.365 1.00 0.00 O ATOM 717 CB HIS A 49 -2.105 -9.567 -5.580 1.00 0.00 C ATOM 718 CG HIS A 49 -0.654 -9.703 -5.184 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.200 -10.620 -5.772 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.083 -9.028 -4.256 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.396 -10.494 -5.213 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.321 -9.508 -4.274 1.00 0.00 N ATOM 0 H HIS A 49 -1.918 -6.844 -5.852 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.948 -9.211 -7.657 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.666 -9.169 -4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.508 -10.558 -5.791 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.279 -8.237 -3.615 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.275 -11.071 -5.458 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.089 -9.191 -3.683 1.00 0.00 H new ATOM 730 N LYS A 50 -4.351 -9.084 -8.053 1.00 0.00 N ATOM 731 CA LYS A 50 -5.750 -8.924 -8.413 1.00 0.00 C ATOM 732 C LYS A 50 -6.588 -8.800 -7.139 1.00 0.00 C ATOM 733 O LYS A 50 -6.930 -9.804 -6.516 1.00 0.00 O ATOM 734 CB LYS A 50 -6.198 -10.059 -9.336 1.00 0.00 C ATOM 735 CG LYS A 50 -7.205 -9.556 -10.373 1.00 0.00 C ATOM 736 CD LYS A 50 -7.207 -10.451 -11.614 1.00 0.00 C ATOM 737 CE LYS A 50 -7.668 -9.674 -12.849 1.00 0.00 C ATOM 738 NZ LYS A 50 -8.313 -10.583 -13.822 1.00 0.00 N ATOM 0 H LYS A 50 -3.838 -9.756 -8.624 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.895 -8.005 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.332 -10.485 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.647 -10.858 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.203 -9.533 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.959 -8.533 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.206 -10.848 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.865 -11.305 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.368 -8.892 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.815 -9.180 -13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.620 -10.040 -14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.634 -11.314 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.139 -11.035 -13.380 1.00 0.00 H new ATOM 752 N GLY A 51 -6.895 -7.560 -6.790 1.00 0.00 N ATOM 753 CA GLY A 51 -7.688 -7.291 -5.602 1.00 0.00 C ATOM 754 C GLY A 51 -7.038 -6.203 -4.744 1.00 0.00 C ATOM 755 O GLY A 51 -7.731 -5.358 -4.178 1.00 0.00 O ATOM 0 H GLY A 51 -6.609 -6.730 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.691 -6.979 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.795 -8.205 -5.017 1.00 0.00 H new ATOM 759 N PHE A 52 -5.716 -6.258 -4.676 1.00 0.00 N ATOM 760 CA PHE A 52 -4.966 -5.287 -3.898 1.00 0.00 C ATOM 761 C PHE A 52 -3.520 -5.192 -4.387 1.00 0.00 C ATOM 762 O PHE A 52 -3.167 -5.777 -5.410 1.00 0.00 O ATOM 763 CB PHE A 52 -4.971 -5.777 -2.448 1.00 0.00 C ATOM 764 CG PHE A 52 -4.773 -7.287 -2.301 1.00 0.00 C ATOM 765 CD1 PHE A 52 -3.531 -7.826 -2.431 1.00 0.00 C ATOM 766 CD2 PHE A 52 -5.839 -8.090 -2.039 1.00 0.00 C ATOM 767 CE1 PHE A 52 -3.347 -9.227 -2.294 1.00 0.00 C ATOM 768 CE2 PHE A 52 -5.655 -9.491 -1.902 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.413 -10.030 -2.033 1.00 0.00 C ATOM 0 H PHE A 52 -5.145 -6.960 -5.147 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.420 -4.301 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.183 -5.262 -1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.917 -5.498 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.685 -7.188 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.825 -7.662 -1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.361 -9.655 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.501 -10.129 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.273 -11.096 -1.930 1.00 0.00 H new ATOM 779 N ALA A 53 -2.721 -4.451 -3.633 1.00 0.00 N ATOM 780 CA ALA A 53 -1.321 -4.272 -3.977 1.00 0.00 C ATOM 781 C ALA A 53 -0.541 -3.864 -2.725 1.00 0.00 C ATOM 782 O ALA A 53 -1.134 -3.573 -1.687 1.00 0.00 O ATOM 783 CB ALA A 53 -1.199 -3.241 -5.101 1.00 0.00 C ATOM 0 H ALA A 53 -3.017 -3.968 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.893 -5.205 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.149 -3.107 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.746 -3.591 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.616 -2.290 -4.769 1.00 0.00 H new ATOM 789 N PHE A 54 0.777 -3.855 -2.865 1.00 0.00 N ATOM 790 CA PHE A 54 1.644 -3.487 -1.759 1.00 0.00 C ATOM 791 C PHE A 54 2.807 -2.617 -2.239 1.00 0.00 C ATOM 792 O PHE A 54 3.316 -2.809 -3.342 1.00 0.00 O ATOM 793 CB PHE A 54 2.202 -4.787 -1.176 1.00 0.00 C ATOM 794 CG PHE A 54 1.445 -5.294 0.053 1.00 0.00 C ATOM 795 CD1 PHE A 54 1.635 -4.699 1.262 1.00 0.00 C ATOM 796 CD2 PHE A 54 0.582 -6.338 -0.062 1.00 0.00 C ATOM 797 CE1 PHE A 54 0.933 -5.169 2.403 1.00 0.00 C ATOM 798 CE2 PHE A 54 -0.120 -6.808 1.079 1.00 0.00 C ATOM 799 CZ PHE A 54 0.070 -6.214 2.287 1.00 0.00 C ATOM 0 H PHE A 54 1.265 -4.097 -3.727 1.00 0.00 H new ATOM 0 HA PHE A 54 1.081 -2.918 -1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.180 -5.557 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.247 -4.634 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.320 -3.869 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.430 -6.810 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.084 -4.697 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.805 -7.638 0.987 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.464 -6.572 3.155 1.00 0.00 H new ATOM 809 N VAL A 55 3.194 -1.678 -1.388 1.00 0.00 N ATOM 810 CA VAL A 55 4.287 -0.778 -1.711 1.00 0.00 C ATOM 811 C VAL A 55 5.270 -0.734 -0.540 1.00 0.00 C ATOM 812 O VAL A 55 4.862 -0.778 0.620 1.00 0.00 O ATOM 813 CB VAL A 55 3.738 0.600 -2.083 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.815 1.677 -1.939 1.00 0.00 C ATOM 815 CG2 VAL A 55 3.153 0.595 -3.497 1.00 0.00 C ATOM 0 H VAL A 55 2.769 -1.521 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 55 4.835 -1.140 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 55 2.932 0.837 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.398 2.647 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.164 1.707 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.652 1.445 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.770 1.587 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.931 0.325 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.341 -0.130 -3.552 1.00 0.00 H new ATOM 825 N GLN A 56 6.547 -0.648 -0.883 1.00 0.00 N ATOM 826 CA GLN A 56 7.591 -0.598 0.126 1.00 0.00 C ATOM 827 C GLN A 56 8.569 0.539 -0.178 1.00 0.00 C ATOM 828 O GLN A 56 9.372 0.441 -1.105 1.00 0.00 O ATOM 829 CB GLN A 56 8.323 -1.938 0.226 1.00 0.00 C ATOM 830 CG GLN A 56 9.445 -1.875 1.264 1.00 0.00 C ATOM 831 CD GLN A 56 9.112 -2.735 2.485 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.267 -3.614 2.445 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.820 -2.433 3.569 1.00 0.00 N ATOM 0 H GLN A 56 6.882 -0.612 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 56 7.126 -0.403 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.617 -2.723 0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.737 -2.203 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.378 -2.218 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.601 -0.842 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.512 -1.685 3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.671 -2.950 4.436 1.00 0.00 H new ATOM 842 N TYR A 57 8.469 1.592 0.620 1.00 0.00 N ATOM 843 CA TYR A 57 9.335 2.746 0.448 1.00 0.00 C ATOM 844 C TYR A 57 10.689 2.521 1.123 1.00 0.00 C ATOM 845 O TYR A 57 10.843 1.599 1.923 1.00 0.00 O ATOM 846 CB TYR A 57 8.623 3.913 1.135 1.00 0.00 C ATOM 847 CG TYR A 57 7.355 4.378 0.417 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.193 3.642 0.522 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.373 5.534 -0.337 1.00 0.00 C ATOM 850 CE1 TYR A 57 4.999 4.080 -0.154 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.180 5.972 -1.013 1.00 0.00 C ATOM 852 CZ TYR A 57 5.051 5.223 -0.888 1.00 0.00 C ATOM 853 OH TYR A 57 3.924 5.637 -1.527 1.00 0.00 O ATOM 0 H TYR A 57 7.802 1.670 1.387 1.00 0.00 H new ATOM 0 HA TYR A 57 9.520 2.933 -0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.365 3.619 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.314 4.753 1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.179 2.737 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.283 6.110 -0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.083 3.513 -0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.181 6.875 -1.606 1.00 0.00 H new ATOM 0 HH TYR A 57 3.147 5.168 -1.157 1.00 0.00 H new ATOM 863 N VAL A 58 11.637 3.380 0.776 1.00 0.00 N ATOM 864 CA VAL A 58 12.973 3.287 1.339 1.00 0.00 C ATOM 865 C VAL A 58 12.880 3.282 2.866 1.00 0.00 C ATOM 866 O VAL A 58 13.606 2.548 3.534 1.00 0.00 O ATOM 867 CB VAL A 58 13.850 4.418 0.797 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.035 4.687 1.726 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.326 4.110 -0.624 1.00 0.00 C ATOM 0 H VAL A 58 11.506 4.143 0.112 1.00 0.00 H new ATOM 0 HA VAL A 58 13.449 2.353 1.040 1.00 0.00 H new ATOM 0 HB VAL A 58 13.243 5.323 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.642 5.495 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.667 4.972 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.642 3.786 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.947 4.930 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.907 3.188 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.463 3.993 -1.279 1.00 0.00 H new ATOM 879 N ASN A 59 11.980 4.112 3.375 1.00 0.00 N ATOM 880 CA ASN A 59 11.782 4.213 4.811 1.00 0.00 C ATOM 881 C ASN A 59 10.283 4.256 5.113 1.00 0.00 C ATOM 882 O ASN A 59 9.470 4.445 4.210 1.00 0.00 O ATOM 883 CB ASN A 59 12.413 5.492 5.365 1.00 0.00 C ATOM 884 CG ASN A 59 13.849 5.657 4.863 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.225 6.674 4.303 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.627 4.604 5.093 1.00 0.00 N ATOM 0 H ASN A 59 11.380 4.721 2.818 1.00 0.00 H new ATOM 0 HA ASN A 59 12.252 3.347 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.818 6.355 5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.406 5.463 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.603 4.616 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.248 3.784 5.567 1.00 0.00 H new ATOM 893 N GLU A 60 9.963 4.076 6.386 1.00 0.00 N ATOM 894 CA GLU A 60 8.576 4.092 6.818 1.00 0.00 C ATOM 895 C GLU A 60 7.983 5.491 6.648 1.00 0.00 C ATOM 896 O GLU A 60 6.858 5.639 6.173 1.00 0.00 O ATOM 897 CB GLU A 60 8.448 3.614 8.266 1.00 0.00 C ATOM 898 CG GLU A 60 6.991 3.661 8.732 1.00 0.00 C ATOM 899 CD GLU A 60 6.906 3.853 10.248 1.00 0.00 C ATOM 900 OE1 GLU A 60 6.938 5.027 10.674 1.00 0.00 O ATOM 901 OE2 GLU A 60 6.811 2.820 10.945 1.00 0.00 O ATOM 0 H GLU A 60 10.640 3.918 7.132 1.00 0.00 H new ATOM 0 HA GLU A 60 8.012 3.402 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.828 2.596 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.061 4.239 8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.471 4.476 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.485 2.738 8.450 1.00 0.00 H new ATOM 908 N ARG A 61 8.766 6.484 7.044 1.00 0.00 N ATOM 909 CA ARG A 61 8.332 7.867 6.941 1.00 0.00 C ATOM 910 C ARG A 61 7.854 8.168 5.519 1.00 0.00 C ATOM 911 O ARG A 61 6.858 8.865 5.330 1.00 0.00 O ATOM 912 CB ARG A 61 9.465 8.828 7.305 1.00 0.00 C ATOM 913 CG ARG A 61 10.407 9.041 6.118 1.00 0.00 C ATOM 914 CD ARG A 61 11.566 9.965 6.496 1.00 0.00 C ATOM 915 NE ARG A 61 12.302 10.378 5.280 1.00 0.00 N ATOM 916 CZ ARG A 61 13.090 11.459 5.210 1.00 0.00 C ATOM 917 NH1 ARG A 61 13.249 12.244 6.284 1.00 0.00 N ATOM 918 NH2 ARG A 61 13.719 11.757 4.064 1.00 0.00 N ATOM 0 H ARG A 61 9.699 6.358 7.437 1.00 0.00 H new ATOM 0 HA ARG A 61 7.510 8.010 7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.048 9.785 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.025 8.431 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.798 8.080 5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.854 9.469 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.186 10.844 7.017 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.240 9.454 7.183 1.00 0.00 H new ATOM 0 HE ARG A 61 12.203 9.804 4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.770 12.019 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.849 13.067 6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.597 11.161 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.319 12.580 4.011 1.00 0.00 H new ATOM 932 N ASN A 62 8.586 7.628 4.556 1.00 0.00 N ATOM 933 CA ASN A 62 8.249 7.831 3.157 1.00 0.00 C ATOM 934 C ASN A 62 6.977 7.048 2.825 1.00 0.00 C ATOM 935 O ASN A 62 6.253 7.399 1.894 1.00 0.00 O ATOM 936 CB ASN A 62 9.367 7.327 2.242 1.00 0.00 C ATOM 937 CG ASN A 62 10.311 8.466 1.852 1.00 0.00 C ATOM 938 OD1 ASN A 62 10.246 9.567 2.373 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.189 8.141 0.908 1.00 0.00 N ATOM 0 H ASN A 62 9.411 7.050 4.717 1.00 0.00 H new ATOM 0 HA ASN A 62 8.106 8.900 2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.929 6.541 2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.935 6.884 1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.862 8.832 0.578 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.189 7.200 0.514 1.00 0.00 H new ATOM 946 N ALA A 63 6.744 6.001 3.604 1.00 0.00 N ATOM 947 CA ALA A 63 5.573 5.166 3.404 1.00 0.00 C ATOM 948 C ALA A 63 4.364 5.820 4.075 1.00 0.00 C ATOM 949 O ALA A 63 3.281 5.876 3.494 1.00 0.00 O ATOM 950 CB ALA A 63 5.849 3.761 3.943 1.00 0.00 C ATOM 0 H ALA A 63 7.347 5.713 4.375 1.00 0.00 H new ATOM 0 HA ALA A 63 5.348 5.070 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.970 3.134 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.698 3.328 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.076 3.818 5.008 1.00 0.00 H new ATOM 956 N ARG A 64 4.589 6.299 5.290 1.00 0.00 N ATOM 957 CA ARG A 64 3.532 6.947 6.047 1.00 0.00 C ATOM 958 C ARG A 64 3.014 8.173 5.292 1.00 0.00 C ATOM 959 O ARG A 64 1.863 8.572 5.465 1.00 0.00 O ATOM 960 CB ARG A 64 4.029 7.380 7.428 1.00 0.00 C ATOM 961 CG ARG A 64 3.066 8.381 8.069 1.00 0.00 C ATOM 962 CD ARG A 64 3.538 8.777 9.469 1.00 0.00 C ATOM 963 NE ARG A 64 3.123 10.166 9.770 1.00 0.00 N ATOM 964 CZ ARG A 64 3.714 10.945 10.686 1.00 0.00 C ATOM 965 NH1 ARG A 64 4.749 10.476 11.396 1.00 0.00 N ATOM 966 NH2 ARG A 64 3.271 12.192 10.891 1.00 0.00 N ATOM 0 H ARG A 64 5.488 6.251 5.769 1.00 0.00 H new ATOM 0 HA ARG A 64 2.725 6.226 6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.132 6.506 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.018 7.828 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.989 9.270 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.069 7.945 8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.119 8.095 10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.623 8.691 9.534 1.00 0.00 H new ATOM 0 HE ARG A 64 2.338 10.554 9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.087 9.526 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.199 11.069 12.093 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.484 12.549 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.721 12.785 11.588 1.00 0.00 H new ATOM 980 N ALA A 65 3.888 8.736 4.471 1.00 0.00 N ATOM 981 CA ALA A 65 3.533 9.908 3.689 1.00 0.00 C ATOM 982 C ALA A 65 2.410 9.545 2.715 1.00 0.00 C ATOM 983 O ALA A 65 1.321 10.112 2.778 1.00 0.00 O ATOM 984 CB ALA A 65 4.776 10.440 2.973 1.00 0.00 C ATOM 0 H ALA A 65 4.842 8.402 4.330 1.00 0.00 H new ATOM 0 HA ALA A 65 3.164 10.704 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.510 11.319 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.532 10.711 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.173 9.669 2.312 1.00 0.00 H new ATOM 990 N ALA A 66 2.715 8.601 1.836 1.00 0.00 N ATOM 991 CA ALA A 66 1.745 8.156 0.849 1.00 0.00 C ATOM 992 C ALA A 66 0.532 7.561 1.566 1.00 0.00 C ATOM 993 O ALA A 66 -0.605 7.760 1.140 1.00 0.00 O ATOM 994 CB ALA A 66 2.407 7.158 -0.103 1.00 0.00 C ATOM 0 H ALA A 66 3.620 8.132 1.787 1.00 0.00 H new ATOM 0 HA ALA A 66 1.394 8.996 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.680 6.824 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.245 7.638 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.768 6.300 0.463 1.00 0.00 H new ATOM 1000 N VAL A 67 0.814 6.842 2.643 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.240 6.217 3.424 1.00 0.00 C ATOM 1002 C VAL A 67 -1.141 7.301 4.017 1.00 0.00 C ATOM 1003 O VAL A 67 -2.273 7.025 4.413 1.00 0.00 O ATOM 1004 CB VAL A 67 0.370 5.299 4.485 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -0.614 5.060 5.633 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.825 3.974 3.869 1.00 0.00 C ATOM 0 H VAL A 67 1.758 6.678 2.993 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.864 5.588 2.789 1.00 0.00 H new ATOM 0 HB VAL A 67 1.249 5.797 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.156 4.404 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.868 6.012 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.519 4.593 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.255 3.341 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.030 3.469 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.575 4.168 3.102 1.00 0.00 H new ATOM 1016 N ALA A 68 -0.605 8.512 4.061 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.347 9.640 4.600 1.00 0.00 C ATOM 1018 C ALA A 68 -2.027 10.392 3.454 1.00 0.00 C ATOM 1019 O ALA A 68 -3.005 11.106 3.670 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.403 10.535 5.405 1.00 0.00 C ATOM 0 H ALA A 68 0.334 8.737 3.732 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.128 9.296 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.960 11.381 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.031 9.962 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.393 10.901 4.756 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.483 10.205 2.260 1.00 0.00 N ATOM 1027 CA GLY A 69 -2.025 10.856 1.080 1.00 0.00 C ATOM 1028 C GLY A 69 -2.805 9.864 0.216 1.00 0.00 C ATOM 1029 O GLY A 69 -4.035 9.884 0.197 1.00 0.00 O ATOM 0 H GLY A 69 -0.672 9.612 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.679 11.675 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.214 11.293 0.497 1.00 0.00 H new ATOM 1033 N GLU A 70 -2.058 9.019 -0.479 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.664 8.021 -1.344 1.00 0.00 C ATOM 1035 C GLU A 70 -3.961 7.498 -0.723 1.00 0.00 C ATOM 1036 O GLU A 70 -5.052 7.836 -1.180 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.690 6.875 -1.625 1.00 0.00 C ATOM 1038 CG GLU A 70 -0.806 7.191 -2.833 1.00 0.00 C ATOM 1039 CD GLU A 70 -1.655 7.517 -4.064 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.473 6.648 -4.435 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -1.466 8.628 -4.605 1.00 0.00 O ATOM 0 H GLU A 70 -1.038 9.005 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.904 8.492 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.066 6.700 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.247 5.956 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.156 8.035 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.160 6.340 -3.048 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.799 6.682 0.308 1.00 0.00 N ATOM 1049 CA ASP A 71 -4.944 6.110 0.996 1.00 0.00 C ATOM 1050 C ASP A 71 -6.078 7.136 1.032 1.00 0.00 C ATOM 1051 O ASP A 71 -6.036 8.085 1.814 1.00 0.00 O ATOM 1052 CB ASP A 71 -4.592 5.743 2.439 1.00 0.00 C ATOM 1053 CG ASP A 71 -3.185 5.175 2.638 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -2.454 5.106 1.627 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -2.873 4.823 3.796 1.00 0.00 O ATOM 0 H ASP A 71 -2.893 6.403 0.684 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.246 5.211 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.700 6.632 3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.316 5.013 2.799 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.064 6.911 0.177 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.208 7.805 0.101 1.00 0.00 C ATOM 1062 C GLY A 72 -8.215 8.574 -1.221 1.00 0.00 C ATOM 1063 O GLY A 72 -8.893 9.593 -1.347 1.00 0.00 O ATOM 0 H GLY A 72 -7.095 6.123 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.130 7.231 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.181 8.507 0.934 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.455 8.057 -2.175 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.366 8.682 -3.483 1.00 0.00 C ATOM 1069 C ARG A 73 -8.393 8.068 -4.436 1.00 0.00 C ATOM 1070 O ARG A 73 -8.509 6.847 -4.526 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.966 8.517 -4.078 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.588 9.728 -4.934 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.471 9.376 -5.919 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.906 10.611 -6.506 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.490 11.312 -7.488 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.660 10.903 -7.998 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -3.905 12.421 -7.959 1.00 0.00 N ATOM 0 H ARG A 73 -6.895 7.211 -2.068 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.572 9.745 -3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.238 8.393 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.929 7.612 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.463 10.078 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.266 10.546 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.688 8.815 -5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.860 8.733 -6.709 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.016 10.950 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.106 10.059 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.105 11.436 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.015 12.732 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.350 12.954 -8.706 1.00 0.00 H new ATOM 1091 N MET A 74 -9.113 8.943 -5.123 1.00 0.00 N ATOM 1092 CA MET A 74 -10.126 8.502 -6.066 1.00 0.00 C ATOM 1093 C MET A 74 -9.512 8.216 -7.438 1.00 0.00 C ATOM 1094 O MET A 74 -9.474 9.093 -8.300 1.00 0.00 O ATOM 1095 CB MET A 74 -11.201 9.582 -6.203 1.00 0.00 C ATOM 1096 CG MET A 74 -12.602 8.981 -6.078 1.00 0.00 C ATOM 1097 SD MET A 74 -13.831 10.272 -6.167 1.00 0.00 S ATOM 1098 CE MET A 74 -15.314 9.306 -5.933 1.00 0.00 C ATOM 0 H MET A 74 -9.015 9.955 -5.045 1.00 0.00 H new ATOM 0 HA MET A 74 -10.570 7.581 -5.689 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.058 10.342 -5.435 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.100 10.080 -7.167 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.767 8.255 -6.874 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.694 8.445 -5.133 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.171 9.973 -5.837 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.460 8.649 -6.791 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.218 8.705 -5.028 1.00 0.00 H new ATOM 1108 N ILE A 75 -9.047 6.986 -7.597 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.436 6.573 -8.850 1.00 0.00 C ATOM 1110 C ILE A 75 -9.391 5.638 -9.594 1.00 0.00 C ATOM 1111 O ILE A 75 -9.760 4.584 -9.079 1.00 0.00 O ATOM 1112 CB ILE A 75 -7.054 5.968 -8.598 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -6.005 7.062 -8.390 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -6.663 5.006 -9.722 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.713 6.482 -7.811 1.00 0.00 C ATOM 0 H ILE A 75 -9.081 6.262 -6.880 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.268 7.436 -9.495 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.099 5.387 -7.677 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.793 7.553 -9.340 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.398 7.825 -7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.676 4.590 -9.518 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.393 4.198 -9.780 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.641 5.544 -10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.985 7.281 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.923 6.013 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.309 5.737 -8.497 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.764 6.057 -10.794 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.669 5.270 -11.614 1.00 0.00 C ATOM 1129 C ALA A 76 -12.111 5.543 -11.181 1.00 0.00 C ATOM 1130 O ALA A 76 -13.047 4.964 -11.729 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.298 3.790 -11.506 1.00 0.00 C ATOM 0 H ALA A 76 -9.456 6.932 -11.218 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.581 5.553 -12.663 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.977 3.199 -12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.275 3.645 -11.853 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.378 3.470 -10.467 1.00 0.00 H new ATOM 1137 N GLY A 77 -12.244 6.426 -10.202 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.556 6.783 -9.690 1.00 0.00 C ATOM 1139 C GLY A 77 -13.846 6.059 -8.374 1.00 0.00 C ATOM 1140 O GLY A 77 -14.848 6.337 -7.716 1.00 0.00 O ATOM 0 H GLY A 77 -11.465 6.905 -9.750 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.609 7.861 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.319 6.528 -10.425 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.952 5.144 -8.029 1.00 0.00 N ATOM 1145 CA GLN A 78 -13.100 4.378 -6.804 1.00 0.00 C ATOM 1146 C GLN A 78 -12.049 4.808 -5.779 1.00 0.00 C ATOM 1147 O GLN A 78 -10.905 5.087 -6.136 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.011 2.876 -7.082 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.112 2.431 -8.047 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.515 1.799 -9.307 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -13.241 2.461 -10.294 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.330 0.485 -9.216 1.00 0.00 N ATOM 0 H GLN A 78 -12.122 4.916 -8.577 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.088 4.580 -6.390 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.035 2.638 -7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.097 2.324 -6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.767 1.714 -7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.727 3.288 -8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.582 -0.007 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.936 -0.030 -10.003 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.473 4.848 -4.524 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.583 5.240 -3.445 1.00 0.00 C ATOM 1163 C VAL A 79 -10.726 4.040 -3.036 1.00 0.00 C ATOM 1164 O VAL A 79 -11.232 3.080 -2.456 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.392 5.820 -2.283 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.532 5.945 -1.024 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -13.008 7.168 -2.664 1.00 0.00 C ATOM 0 H VAL A 79 -13.422 4.615 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.905 6.027 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.206 5.130 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.131 6.360 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.164 4.960 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.687 6.604 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.578 7.559 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.215 7.870 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.670 7.037 -3.520 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.443 4.134 -3.353 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.511 3.068 -3.026 1.00 0.00 C ATOM 1179 C LEU A 80 -8.357 2.981 -1.506 1.00 0.00 C ATOM 1180 O LEU A 80 -8.056 3.977 -0.851 1.00 0.00 O ATOM 1181 CB LEU A 80 -7.188 3.267 -3.768 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.298 3.599 -5.257 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.938 4.004 -5.830 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.924 2.438 -6.033 1.00 0.00 C ATOM 0 H LEU A 80 -9.027 4.932 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.897 2.106 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.636 4.068 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.594 2.359 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.963 4.456 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.044 4.235 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.568 4.883 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.232 3.183 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.991 2.700 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.305 1.548 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.923 2.238 -5.645 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.570 1.779 -0.990 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.458 1.548 0.440 1.00 0.00 C ATOM 1198 C ASP A 81 -7.020 1.148 0.777 1.00 0.00 C ATOM 1199 O ASP A 81 -6.634 -0.005 0.595 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.381 0.415 0.889 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.648 0.864 1.621 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -10.494 1.572 2.639 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -11.741 0.488 1.146 1.00 0.00 O ATOM 0 H ASP A 81 -8.820 0.955 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.740 2.468 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.672 -0.165 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.820 -0.253 1.542 1.00 0.00 H new ATOM 1208 N ILE A 82 -6.266 2.124 1.262 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.879 1.888 1.626 1.00 0.00 C ATOM 1210 C ILE A 82 -4.701 2.135 3.125 1.00 0.00 C ATOM 1211 O ILE A 82 -5.445 2.910 3.723 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.945 2.725 0.750 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.385 2.684 -0.715 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.490 2.286 0.924 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.412 3.464 -1.602 1.00 0.00 C ATOM 0 H ILE A 82 -6.589 3.080 1.411 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.608 0.849 1.439 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.009 3.763 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.441 1.649 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.386 3.105 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.847 2.897 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.195 2.409 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.390 1.238 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.748 3.419 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.377 4.504 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.417 3.026 -1.524 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.709 1.461 3.690 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.424 1.597 5.108 1.00 0.00 C ATOM 1229 C ASN A 83 -2.054 0.985 5.409 1.00 0.00 C ATOM 1230 O ASN A 83 -1.675 -0.021 4.811 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.466 0.863 5.953 1.00 0.00 C ATOM 1232 CG ASN A 83 -4.586 -0.601 5.525 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.534 -1.010 4.875 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.574 -1.366 5.926 1.00 0.00 N ATOM 0 H ASN A 83 -3.093 0.819 3.191 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.443 2.658 5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.189 0.916 7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.433 1.355 5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.561 -2.359 5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.811 -0.960 6.468 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.350 1.618 6.336 1.00 0.00 N ATOM 1242 CA LEU A 84 -0.030 1.147 6.723 1.00 0.00 C ATOM 1243 C LEU A 84 -0.148 -0.260 7.312 1.00 0.00 C ATOM 1244 O LEU A 84 -0.930 -0.488 8.234 1.00 0.00 O ATOM 1245 CB LEU A 84 0.642 2.152 7.661 1.00 0.00 C ATOM 1246 CG LEU A 84 1.781 2.976 7.056 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.117 4.179 7.940 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.007 2.102 6.787 1.00 0.00 C ATOM 0 H LEU A 84 -1.668 2.452 6.830 1.00 0.00 H new ATOM 0 HA LEU A 84 0.620 1.074 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.119 2.838 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.030 1.611 8.524 1.00 0.00 H new ATOM 0 HG LEU A 84 1.447 3.366 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.929 4.748 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.238 4.816 8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.423 3.831 8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.802 2.712 6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.353 1.662 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.742 1.308 6.089 1.00 0.00 H new ATOM 1260 N ALA A 85 0.640 -1.167 6.755 1.00 0.00 N ATOM 1261 CA ALA A 85 0.635 -2.546 7.213 1.00 0.00 C ATOM 1262 C ALA A 85 1.148 -2.603 8.653 1.00 0.00 C ATOM 1263 O ALA A 85 2.327 -2.868 8.885 1.00 0.00 O ATOM 1264 CB ALA A 85 1.471 -3.404 6.261 1.00 0.00 C ATOM 0 H ALA A 85 1.287 -0.974 5.990 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.378 -2.948 7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.467 -4.438 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.047 -3.353 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.495 -3.032 6.241 1.00 0.00 H new ATOM 1270 N ALA A 86 0.239 -2.349 9.582 1.00 0.00 N ATOM 1271 CA ALA A 86 0.585 -2.368 10.993 1.00 0.00 C ATOM 1272 C ALA A 86 -0.692 -2.258 11.829 1.00 0.00 C ATOM 1273 O ALA A 86 -0.916 -3.059 12.735 1.00 0.00 O ATOM 1274 CB ALA A 86 1.576 -1.241 11.291 1.00 0.00 C ATOM 0 H ALA A 86 -0.737 -2.129 9.385 1.00 0.00 H new ATOM 0 HA ALA A 86 1.071 -3.308 11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.836 -1.255 12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.477 -1.382 10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.122 -0.282 11.042 1.00 0.00 H new ATOM 1280 N GLU A 87 -1.496 -1.260 11.494 1.00 0.00 N ATOM 1281 CA GLU A 87 -2.744 -1.034 12.202 1.00 0.00 C ATOM 1282 C GLU A 87 -3.927 -1.125 11.235 1.00 0.00 C ATOM 1283 O GLU A 87 -4.198 -0.184 10.491 1.00 0.00 O ATOM 1284 CB GLU A 87 -2.729 0.314 12.925 1.00 0.00 C ATOM 1285 CG GLU A 87 -2.424 0.134 14.414 1.00 0.00 C ATOM 1286 CD GLU A 87 -2.956 1.314 15.229 1.00 0.00 C ATOM 1287 OE1 GLU A 87 -4.197 1.464 15.268 1.00 0.00 O ATOM 1288 OE2 GLU A 87 -2.111 2.041 15.795 1.00 0.00 O ATOM 0 H GLU A 87 -1.307 -0.598 10.741 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.856 -1.812 12.957 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.981 0.965 12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.694 0.806 12.805 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.874 -0.792 14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.348 0.042 14.560 1.00 0.00 H new ATOM 1295 N PRO A 88 -4.617 -2.296 11.280 1.00 0.00 N ATOM 1296 CA PRO A 88 -5.764 -2.521 10.417 1.00 0.00 C ATOM 1297 C PRO A 88 -6.985 -1.743 10.913 1.00 0.00 C ATOM 1298 O PRO A 88 -7.207 -1.631 12.117 1.00 0.00 O ATOM 1299 CB PRO A 88 -5.975 -4.026 10.428 1.00 0.00 C ATOM 1300 CG PRO A 88 -5.238 -4.541 11.654 1.00 0.00 C ATOM 1301 CD PRO A 88 -4.325 -3.432 12.149 1.00 0.00 C ATOM 0 HA PRO A 88 -5.602 -2.162 9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.036 -4.271 10.478 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.585 -4.482 9.518 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.945 -4.829 12.432 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.659 -5.430 11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.523 -3.193 13.194 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.277 -3.723 12.082 1.00 0.00 H new ATOM 1309 N LYS A 89 -7.744 -1.225 9.958 1.00 0.00 N ATOM 1310 CA LYS A 89 -8.936 -0.460 10.283 1.00 0.00 C ATOM 1311 C LYS A 89 -9.849 -1.301 11.177 1.00 0.00 C ATOM 1312 O LYS A 89 -10.712 -0.764 11.869 1.00 0.00 O ATOM 1313 CB LYS A 89 -9.616 0.040 9.006 1.00 0.00 C ATOM 1314 CG LYS A 89 -10.123 -1.130 8.161 1.00 0.00 C ATOM 1315 CD LYS A 89 -11.073 -0.644 7.065 1.00 0.00 C ATOM 1316 CE LYS A 89 -10.934 -1.496 5.801 1.00 0.00 C ATOM 1317 NZ LYS A 89 -10.338 -0.702 4.704 1.00 0.00 N ATOM 0 H LYS A 89 -7.557 -1.320 8.960 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.673 0.434 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.449 0.694 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.912 0.635 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.278 -1.651 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.636 -1.849 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.101 -0.686 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.860 0.399 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.311 -2.366 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.912 -1.870 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.251 -1.295 3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.948 0.114 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.396 -0.367 4.990 1.00 0.00 H new ATOM 1331 N VAL A 90 -9.628 -2.607 11.132 1.00 0.00 N ATOM 1332 CA VAL A 90 -10.419 -3.528 11.930 1.00 0.00 C ATOM 1333 C VAL A 90 -10.024 -3.392 13.401 1.00 0.00 C ATOM 1334 O VAL A 90 -8.998 -3.924 13.824 1.00 0.00 O ATOM 1335 CB VAL A 90 -10.259 -4.953 11.396 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -10.980 -5.959 12.296 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -10.752 -5.057 9.952 1.00 0.00 C ATOM 0 H VAL A 90 -8.912 -3.049 10.555 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.479 -3.285 11.856 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.197 -5.197 11.404 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.851 -6.964 11.895 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.561 -5.913 13.301 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.042 -5.717 12.334 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.627 -6.080 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.806 -4.784 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.175 -4.381 9.321 1.00 0.00 H new ATOM 1347 N ASN A 91 -10.858 -2.677 14.142 1.00 0.00 N ATOM 1348 CA ASN A 91 -10.608 -2.464 15.557 1.00 0.00 C ATOM 1349 C ASN A 91 -11.298 -3.566 16.364 1.00 0.00 C ATOM 1350 O ASN A 91 -12.496 -3.798 16.205 1.00 0.00 O ATOM 1351 CB ASN A 91 -11.168 -1.118 16.019 1.00 0.00 C ATOM 1352 CG ASN A 91 -10.040 -0.139 16.351 1.00 0.00 C ATOM 1353 OD1 ASN A 91 -9.170 -0.406 17.163 1.00 0.00 O ATOM 1354 ND2 ASN A 91 -10.103 1.007 15.678 1.00 0.00 N ATOM 0 H ASN A 91 -11.708 -2.238 13.788 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.530 -2.479 15.715 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.802 -0.697 15.239 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.798 -1.264 16.897 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.395 1.726 15.828 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.859 1.166 15.012 1.00 0.00 H new ATOM 1361 N ARG A 92 -10.514 -4.215 17.211 1.00 0.00 N ATOM 1362 CA ARG A 92 -11.035 -5.286 18.043 1.00 0.00 C ATOM 1363 C ARG A 92 -10.466 -5.184 19.459 1.00 0.00 C ATOM 1364 O ARG A 92 -11.216 -5.156 20.433 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.686 -6.656 17.458 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.904 -7.292 16.785 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.567 -8.318 17.707 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.518 -7.641 18.617 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.283 -8.279 19.513 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -14.213 -9.613 19.625 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.117 -7.584 20.298 1.00 0.00 N ATOM 0 H ARG A 92 -9.521 -4.020 17.339 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.120 -5.182 18.076 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.879 -6.551 16.733 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.320 -7.311 18.249 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.624 -6.517 16.520 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.600 -7.775 15.856 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.090 -9.068 17.114 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.807 -8.843 18.286 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.596 -6.626 18.558 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.577 -10.142 19.028 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.795 -10.099 20.307 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.170 -6.569 20.214 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.699 -8.070 20.980 1.00 0.00 H new ATOM 1385 N SER A 93 -9.144 -5.130 19.529 1.00 0.00 N ATOM 1386 CA SER A 93 -8.465 -5.031 20.810 1.00 0.00 C ATOM 1387 C SER A 93 -7.879 -3.629 20.985 1.00 0.00 C ATOM 1388 O SER A 93 -7.499 -2.985 20.008 1.00 0.00 O ATOM 1389 CB SER A 93 -7.363 -6.086 20.933 1.00 0.00 C ATOM 1390 OG SER A 93 -7.351 -6.697 22.220 1.00 0.00 O ATOM 0 H SER A 93 -8.525 -5.153 18.719 1.00 0.00 H new ATOM 0 HA SER A 93 -9.195 -5.214 21.598 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.506 -6.851 20.170 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.395 -5.623 20.742 1.00 0.00 H new ATOM 0 HG SER A 93 -6.635 -7.365 22.258 1.00 0.00 H new ATOM 1396 N GLY A 94 -7.824 -3.197 22.236 1.00 0.00 N ATOM 1397 CA GLY A 94 -7.291 -1.883 22.552 1.00 0.00 C ATOM 1398 C GLY A 94 -6.995 -1.755 24.047 1.00 0.00 C ATOM 1399 O GLY A 94 -7.143 -2.719 24.797 1.00 0.00 O ATOM 0 H GLY A 94 -8.140 -3.734 23.043 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.379 -1.710 21.981 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.005 -1.116 22.252 1.00 0.00 H new ATOM 1403 N PRO A 95 -6.572 -0.526 24.447 1.00 0.00 N ATOM 1404 CA PRO A 95 -6.254 -0.260 25.840 1.00 0.00 C ATOM 1405 C PRO A 95 -7.528 -0.133 26.678 1.00 0.00 C ATOM 1406 O PRO A 95 -8.163 0.921 26.692 1.00 0.00 O ATOM 1407 CB PRO A 95 -5.427 1.015 25.818 1.00 0.00 C ATOM 1408 CG PRO A 95 -5.703 1.667 24.473 1.00 0.00 C ATOM 1409 CD PRO A 95 -6.385 0.639 23.587 1.00 0.00 C ATOM 0 HA PRO A 95 -5.697 -1.072 26.307 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.707 1.677 26.638 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.366 0.794 25.935 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.338 2.544 24.597 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.774 2.008 24.016 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.338 1.011 23.211 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.773 0.396 22.719 1.00 0.00 H new ATOM 1417 N SER A 96 -7.863 -1.220 27.356 1.00 0.00 N ATOM 1418 CA SER A 96 -9.049 -1.243 28.195 1.00 0.00 C ATOM 1419 C SER A 96 -8.925 -2.347 29.247 1.00 0.00 C ATOM 1420 O SER A 96 -8.883 -3.529 28.910 1.00 0.00 O ATOM 1421 CB SER A 96 -10.312 -1.449 27.357 1.00 0.00 C ATOM 1422 OG SER A 96 -11.315 -0.481 27.656 1.00 0.00 O ATOM 0 H SER A 96 -7.334 -2.092 27.342 1.00 0.00 H new ATOM 0 HA SER A 96 -9.131 -0.279 28.697 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.058 -1.393 26.299 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.708 -2.449 27.537 1.00 0.00 H new ATOM 0 HG SER A 96 -12.105 -0.645 27.099 1.00 0.00 H new ATOM 1428 N SER A 97 -8.869 -1.922 30.501 1.00 0.00 N ATOM 1429 CA SER A 97 -8.751 -2.860 31.604 1.00 0.00 C ATOM 1430 C SER A 97 -7.697 -3.920 31.279 1.00 0.00 C ATOM 1431 O SER A 97 -8.029 -5.004 30.801 1.00 0.00 O ATOM 1432 CB SER A 97 -10.095 -3.523 31.910 1.00 0.00 C ATOM 1433 OG SER A 97 -10.669 -4.125 30.753 1.00 0.00 O ATOM 0 H SER A 97 -8.903 -0.941 30.777 1.00 0.00 H new ATOM 0 HA SER A 97 -8.440 -2.308 32.491 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.958 -4.280 32.682 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.783 -2.779 32.311 1.00 0.00 H new ATOM 0 HG SER A 97 -9.964 -4.314 30.099 1.00 0.00 H new ATOM 1439 N GLY A 98 -6.448 -3.571 31.550 1.00 0.00 N ATOM 1440 CA GLY A 98 -5.344 -4.479 31.292 1.00 0.00 C ATOM 1441 C GLY A 98 -5.370 -5.663 32.262 1.00 0.00 C ATOM 1442 O GLY A 98 -5.033 -5.516 33.436 1.00 0.00 O ATOM 0 H GLY A 98 -6.176 -2.671 31.946 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.400 -4.843 30.266 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.399 -3.945 31.389 1.00 0.00 H new TER 1446 GLY A 98