USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.00399 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00928 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0994 USER MOD Single : A 6 SER OG : rot 180:sc= -0.173 USER MOD Single : A 8 MET CE :methyl -158:sc= -0.0888 (180deg=-0.476) USER MOD Single : A 9 SER OG : rot 180:sc= -0.067 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.59) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.942) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 4:sc= 0.221 USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= -0.27 (180deg=-0.976) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 172:sc= -0.892 (180deg=-1.02) USER MOD Single : A 53 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-12!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.371 F(o=-1.4!,f=-0.37) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= -1.18 USER MOD Single : A 70 ASN : amide:sc= -1.35! C(o=-1.3!,f=-1.3!) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0237) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.510 7.379 26.706 1.00 0.00 N ATOM 2 CA GLY A 1 -8.205 8.586 27.112 1.00 0.00 C ATOM 3 C GLY A 1 -8.670 9.413 25.930 1.00 0.00 C ATOM 4 O GLY A 1 -9.152 8.870 24.936 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.803 6.588 27.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.744 7.160 25.717 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.484 7.523 26.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.066 8.317 27.724 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.545 9.189 27.736 1.00 0.00 H new ATOM 8 N SER A 2 -8.528 10.730 26.038 1.00 0.00 N ATOM 9 CA SER A 2 -8.942 11.634 24.972 1.00 0.00 C ATOM 10 C SER A 2 -8.319 11.226 23.641 1.00 0.00 C ATOM 11 O SER A 2 -9.012 11.100 22.631 1.00 0.00 O ATOM 12 CB SER A 2 -8.549 13.073 25.312 1.00 0.00 C ATOM 13 OG SER A 2 -7.170 13.164 25.623 1.00 0.00 O ATOM 0 H SER A 2 -8.129 11.195 26.854 1.00 0.00 H new ATOM 0 HA SER A 2 -10.026 11.574 24.880 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.779 13.725 24.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.140 13.425 26.158 1.00 0.00 H new ATOM 0 HG SER A 2 -6.943 14.093 25.835 1.00 0.00 H new ATOM 19 N SER A 3 -7.006 11.020 23.647 1.00 0.00 N ATOM 20 CA SER A 3 -6.287 10.630 22.440 1.00 0.00 C ATOM 21 C SER A 3 -6.694 11.505 21.259 1.00 0.00 C ATOM 22 O SER A 3 -6.913 11.012 20.153 1.00 0.00 O ATOM 23 CB SER A 3 -6.553 9.159 22.116 1.00 0.00 C ATOM 24 OG SER A 3 -6.188 8.323 23.201 1.00 0.00 O ATOM 0 H SER A 3 -6.418 11.117 24.475 1.00 0.00 H new ATOM 0 HA SER A 3 -5.221 10.768 22.621 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.609 9.020 21.885 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.992 8.872 21.227 1.00 0.00 H new ATOM 0 HG SER A 3 -6.369 7.388 22.969 1.00 0.00 H new ATOM 30 N GLY A 4 -6.795 12.808 21.502 1.00 0.00 N ATOM 31 CA GLY A 4 -7.176 13.732 20.450 1.00 0.00 C ATOM 32 C GLY A 4 -6.365 13.536 19.184 1.00 0.00 C ATOM 33 O GLY A 4 -6.917 13.240 18.124 1.00 0.00 O ATOM 0 H GLY A 4 -6.620 13.240 22.409 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.234 13.603 20.223 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.048 14.755 20.805 1.00 0.00 H new ATOM 37 N SER A 5 -5.051 13.702 19.294 1.00 0.00 N ATOM 38 CA SER A 5 -4.163 13.546 18.148 1.00 0.00 C ATOM 39 C SER A 5 -2.750 13.187 18.600 1.00 0.00 C ATOM 40 O SER A 5 -2.204 13.804 19.514 1.00 0.00 O ATOM 41 CB SER A 5 -4.134 14.833 17.320 1.00 0.00 C ATOM 42 OG SER A 5 -5.420 15.141 16.812 1.00 0.00 O ATOM 0 H SER A 5 -4.578 13.944 20.165 1.00 0.00 H new ATOM 0 HA SER A 5 -4.546 12.733 17.531 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.776 15.658 17.936 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.430 14.723 16.495 1.00 0.00 H new ATOM 0 HG SER A 5 -5.375 15.968 16.288 1.00 0.00 H new ATOM 48 N SER A 6 -2.165 12.185 17.951 1.00 0.00 N ATOM 49 CA SER A 6 -0.818 11.740 18.288 1.00 0.00 C ATOM 50 C SER A 6 0.210 12.816 17.949 1.00 0.00 C ATOM 51 O SER A 6 1.005 13.220 18.797 1.00 0.00 O ATOM 52 CB SER A 6 -0.484 10.447 17.543 1.00 0.00 C ATOM 53 OG SER A 6 -0.509 10.645 16.140 1.00 0.00 O ATOM 0 H SER A 6 -2.603 11.666 17.189 1.00 0.00 H new ATOM 0 HA SER A 6 -0.782 11.552 19.361 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.502 10.093 17.846 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.199 9.671 17.817 1.00 0.00 H new ATOM 0 HG SER A 6 -0.290 9.804 15.687 1.00 0.00 H new ATOM 59 N GLY A 7 0.188 13.274 16.701 1.00 0.00 N ATOM 60 CA GLY A 7 1.122 14.298 16.271 1.00 0.00 C ATOM 61 C GLY A 7 1.017 14.591 14.787 1.00 0.00 C ATOM 62 O GLY A 7 0.202 15.411 14.365 1.00 0.00 O ATOM 0 H GLY A 7 -0.460 12.954 15.981 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.937 15.213 16.833 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.138 13.980 16.505 1.00 0.00 H new ATOM 66 N MET A 8 1.846 13.921 13.993 1.00 0.00 N ATOM 67 CA MET A 8 1.843 14.115 12.548 1.00 0.00 C ATOM 68 C MET A 8 1.243 12.905 11.838 1.00 0.00 C ATOM 69 O MET A 8 1.884 11.861 11.723 1.00 0.00 O ATOM 70 CB MET A 8 3.266 14.363 12.042 1.00 0.00 C ATOM 71 CG MET A 8 4.312 13.494 12.720 1.00 0.00 C ATOM 72 SD MET A 8 4.893 14.193 14.277 1.00 0.00 S ATOM 73 CE MET A 8 5.857 15.582 13.686 1.00 0.00 C ATOM 0 H MET A 8 2.528 13.239 14.326 1.00 0.00 H new ATOM 0 HA MET A 8 1.228 14.987 12.325 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.297 14.183 10.967 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.520 15.411 12.197 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.893 12.505 12.904 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.159 13.361 12.047 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.579 15.874 14.448 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.385 15.298 12.776 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.194 16.421 13.474 1.00 0.00 H new ATOM 83 N SER A 9 0.010 13.054 11.366 1.00 0.00 N ATOM 84 CA SER A 9 -0.678 11.972 10.671 1.00 0.00 C ATOM 85 C SER A 9 -0.029 11.695 9.319 1.00 0.00 C ATOM 86 O SER A 9 0.252 10.547 8.974 1.00 0.00 O ATOM 87 CB SER A 9 -2.156 12.319 10.479 1.00 0.00 C ATOM 88 OG SER A 9 -2.307 13.491 9.697 1.00 0.00 O ATOM 0 H SER A 9 -0.533 13.913 11.452 1.00 0.00 H new ATOM 0 HA SER A 9 -0.600 11.073 11.283 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.668 11.487 9.996 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.628 12.463 11.451 1.00 0.00 H new ATOM 0 HG SER A 9 -3.260 13.691 9.587 1.00 0.00 H new ATOM 94 N LYS A 10 0.206 12.756 8.554 1.00 0.00 N ATOM 95 CA LYS A 10 0.823 12.631 7.239 1.00 0.00 C ATOM 96 C LYS A 10 1.822 11.478 7.214 1.00 0.00 C ATOM 97 O LYS A 10 1.569 10.437 6.607 1.00 0.00 O ATOM 98 CB LYS A 10 1.525 13.936 6.856 1.00 0.00 C ATOM 99 CG LYS A 10 0.657 15.169 7.038 1.00 0.00 C ATOM 100 CD LYS A 10 -0.623 15.076 6.224 1.00 0.00 C ATOM 101 CE LYS A 10 -1.666 16.070 6.710 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.564 16.515 5.609 1.00 0.00 N ATOM 0 H LYS A 10 -0.022 13.713 8.823 1.00 0.00 H new ATOM 0 HA LYS A 10 0.036 12.423 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.427 14.044 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.843 13.876 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.410 15.289 8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.216 16.056 6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.402 15.264 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.024 14.065 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.261 15.614 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.167 16.936 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.261 17.192 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.000 16.973 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.060 15.692 5.211 1.00 0.00 H new ATOM 116 N LYS A 11 2.956 11.670 7.879 1.00 0.00 N ATOM 117 CA LYS A 11 3.993 10.646 7.936 1.00 0.00 C ATOM 118 C LYS A 11 3.433 9.336 8.482 1.00 0.00 C ATOM 119 O LYS A 11 2.495 9.318 9.279 1.00 0.00 O ATOM 120 CB LYS A 11 5.158 11.118 8.808 1.00 0.00 C ATOM 121 CG LYS A 11 5.974 12.235 8.180 1.00 0.00 C ATOM 122 CD LYS A 11 7.311 12.410 8.881 1.00 0.00 C ATOM 123 CE LYS A 11 7.986 13.712 8.475 1.00 0.00 C ATOM 124 NZ LYS A 11 7.449 14.875 9.235 1.00 0.00 N ATOM 0 H LYS A 11 3.181 12.526 8.386 1.00 0.00 H new ATOM 0 HA LYS A 11 4.354 10.473 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.768 11.459 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.813 10.272 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.141 12.016 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.412 13.168 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.162 12.397 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.963 11.570 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.060 13.632 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.842 13.878 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.934 15.743 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.429 14.967 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.609 14.729 10.252 1.00 0.00 H new ATOM 138 N PRO A 12 4.022 8.213 8.046 1.00 0.00 N ATOM 139 CA PRO A 12 3.600 6.878 8.480 1.00 0.00 C ATOM 140 C PRO A 12 3.944 6.607 9.941 1.00 0.00 C ATOM 141 O PRO A 12 5.109 6.459 10.312 1.00 0.00 O ATOM 142 CB PRO A 12 4.389 5.940 7.562 1.00 0.00 C ATOM 143 CG PRO A 12 5.591 6.724 7.163 1.00 0.00 C ATOM 144 CD PRO A 12 5.146 8.159 7.096 1.00 0.00 C ATOM 0 HA PRO A 12 2.519 6.751 8.414 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.669 5.022 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.800 5.649 6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.397 6.599 7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.973 6.389 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.946 8.842 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.835 8.436 6.089 1.00 0.00 H new ATOM 152 N PRO A 13 2.909 6.541 10.791 1.00 0.00 N ATOM 153 CA PRO A 13 3.077 6.287 12.225 1.00 0.00 C ATOM 154 C PRO A 13 3.531 4.860 12.512 1.00 0.00 C ATOM 155 O PRO A 13 3.643 4.040 11.601 1.00 0.00 O ATOM 156 CB PRO A 13 1.677 6.528 12.794 1.00 0.00 C ATOM 157 CG PRO A 13 0.755 6.274 11.653 1.00 0.00 C ATOM 158 CD PRO A 13 1.495 6.709 10.418 1.00 0.00 C ATOM 0 HA PRO A 13 3.846 6.923 12.664 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.468 5.858 13.628 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.572 7.546 13.169 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.486 5.219 11.596 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.173 6.834 11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.232 6.097 9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.268 7.743 10.157 1.00 0.00 H new ATOM 166 N ASN A 14 3.789 4.570 13.783 1.00 0.00 N ATOM 167 CA ASN A 14 4.230 3.241 14.189 1.00 0.00 C ATOM 168 C ASN A 14 3.293 2.167 13.645 1.00 0.00 C ATOM 169 O ASN A 14 2.226 1.917 14.206 1.00 0.00 O ATOM 170 CB ASN A 14 4.300 3.148 15.715 1.00 0.00 C ATOM 171 CG ASN A 14 4.355 1.714 16.204 1.00 0.00 C ATOM 172 OD1 ASN A 14 3.329 1.118 16.532 1.00 0.00 O ATOM 173 ND2 ASN A 14 5.558 1.152 16.256 1.00 0.00 N ATOM 0 H ASN A 14 3.700 5.237 14.549 1.00 0.00 H new ATOM 0 HA ASN A 14 5.225 3.073 13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.181 3.684 16.069 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.430 3.643 16.147 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.658 0.189 16.578 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.382 1.683 15.974 1.00 0.00 H new ATOM 180 N ARG A 15 3.700 1.534 12.549 1.00 0.00 N ATOM 181 CA ARG A 15 2.896 0.487 11.929 1.00 0.00 C ATOM 182 C ARG A 15 3.762 -0.713 11.556 1.00 0.00 C ATOM 183 O ARG A 15 4.436 -0.727 10.526 1.00 0.00 O ATOM 184 CB ARG A 15 2.191 1.027 10.684 1.00 0.00 C ATOM 185 CG ARG A 15 0.861 0.349 10.396 1.00 0.00 C ATOM 186 CD ARG A 15 0.147 1.000 9.221 1.00 0.00 C ATOM 187 NE ARG A 15 -0.705 2.108 9.644 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.896 1.944 10.209 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.373 0.725 10.418 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.613 3.002 10.566 1.00 0.00 N ATOM 0 H ARG A 15 4.581 1.728 12.073 1.00 0.00 H new ATOM 0 HA ARG A 15 2.146 0.163 12.651 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.025 2.097 10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.847 0.903 9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.028 -0.707 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.227 0.398 11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.884 1.363 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.458 0.254 8.706 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.367 3.059 9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.825 -0.091 10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.288 0.603 10.852 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.250 3.942 10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.527 2.876 11.000 1.00 0.00 H new ATOM 204 N PRO A 16 3.744 -1.745 12.413 1.00 0.00 N ATOM 205 CA PRO A 16 4.521 -2.968 12.195 1.00 0.00 C ATOM 206 C PRO A 16 3.984 -3.797 11.033 1.00 0.00 C ATOM 207 O PRO A 16 3.275 -4.782 11.236 1.00 0.00 O ATOM 208 CB PRO A 16 4.362 -3.730 13.513 1.00 0.00 C ATOM 209 CG PRO A 16 3.077 -3.235 14.083 1.00 0.00 C ATOM 210 CD PRO A 16 2.963 -1.797 13.660 1.00 0.00 C ATOM 0 HA PRO A 16 5.557 -2.751 11.935 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.333 -4.807 13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.196 -3.534 14.187 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.235 -3.819 13.712 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.072 -3.324 15.169 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.925 -1.507 13.496 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.367 -1.123 14.415 1.00 0.00 H new ATOM 218 N GLY A 17 4.328 -3.392 9.814 1.00 0.00 N ATOM 219 CA GLY A 17 3.871 -4.109 8.638 1.00 0.00 C ATOM 220 C GLY A 17 3.761 -3.213 7.420 1.00 0.00 C ATOM 221 O GLY A 17 4.499 -3.382 6.449 1.00 0.00 O ATOM 0 H GLY A 17 4.915 -2.580 9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.560 -4.926 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.899 -4.558 8.844 1.00 0.00 H new ATOM 225 N ILE A 18 2.836 -2.260 7.469 1.00 0.00 N ATOM 226 CA ILE A 18 2.633 -1.336 6.361 1.00 0.00 C ATOM 227 C ILE A 18 3.614 -0.171 6.429 1.00 0.00 C ATOM 228 O ILE A 18 3.976 0.289 7.513 1.00 0.00 O ATOM 229 CB ILE A 18 1.196 -0.782 6.347 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.198 -1.882 6.716 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.867 -0.197 4.982 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.244 -1.428 6.675 1.00 0.00 C ATOM 0 H ILE A 18 2.216 -2.108 8.264 1.00 0.00 H new ATOM 0 HA ILE A 18 2.806 -1.900 5.444 1.00 0.00 H new ATOM 0 HB ILE A 18 1.122 0.013 7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.326 -2.721 6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.427 -2.248 7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.152 0.190 4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.561 0.612 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.955 -0.974 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.895 -2.259 6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.388 -0.608 7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.490 -1.089 5.669 1.00 0.00 H new ATOM 244 N THR A 19 4.041 0.305 5.263 1.00 0.00 N ATOM 245 CA THR A 19 4.980 1.417 5.189 1.00 0.00 C ATOM 246 C THR A 19 4.700 2.293 3.974 1.00 0.00 C ATOM 247 O THR A 19 4.981 1.907 2.839 1.00 0.00 O ATOM 248 CB THR A 19 6.436 0.920 5.125 1.00 0.00 C ATOM 249 OG1 THR A 19 6.771 0.227 6.333 1.00 0.00 O ATOM 250 CG2 THR A 19 7.396 2.081 4.917 1.00 0.00 C ATOM 0 H THR A 19 3.751 -0.063 4.357 1.00 0.00 H new ATOM 0 HA THR A 19 4.845 2.005 6.097 1.00 0.00 H new ATOM 0 HB THR A 19 6.527 0.239 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.698 -0.087 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.418 1.705 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.157 2.588 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.302 2.784 5.745 1.00 0.00 H new ATOM 258 N PHE A 20 4.145 3.476 4.218 1.00 0.00 N ATOM 259 CA PHE A 20 3.827 4.408 3.142 1.00 0.00 C ATOM 260 C PHE A 20 5.099 4.933 2.484 1.00 0.00 C ATOM 261 O PHE A 20 5.792 5.784 3.040 1.00 0.00 O ATOM 262 CB PHE A 20 2.997 5.576 3.679 1.00 0.00 C ATOM 263 CG PHE A 20 1.905 5.153 4.619 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.141 4.028 4.353 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.642 5.880 5.769 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.135 3.637 5.216 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.637 5.494 6.636 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.117 4.370 6.360 1.00 0.00 C ATOM 0 H PHE A 20 3.906 3.812 5.151 1.00 0.00 H new ATOM 0 HA PHE A 20 3.245 3.873 2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.657 6.275 4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.555 6.113 2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.334 3.450 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.229 6.759 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.454 2.759 4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.442 6.071 7.528 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.902 4.065 7.037 1.00 0.00 H new ATOM 278 N GLU A 21 5.399 4.419 1.295 1.00 0.00 N ATOM 279 CA GLU A 21 6.588 4.835 0.561 1.00 0.00 C ATOM 280 C GLU A 21 6.335 4.815 -0.943 1.00 0.00 C ATOM 281 O GLU A 21 5.234 4.494 -1.393 1.00 0.00 O ATOM 282 CB GLU A 21 7.770 3.925 0.903 1.00 0.00 C ATOM 283 CG GLU A 21 8.546 4.369 2.131 1.00 0.00 C ATOM 284 CD GLU A 21 9.908 3.710 2.230 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.968 2.531 2.638 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.914 4.373 1.901 1.00 0.00 O ATOM 0 H GLU A 21 4.835 3.714 0.820 1.00 0.00 H new ATOM 0 HA GLU A 21 6.827 5.856 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.403 2.911 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.447 3.888 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.671 5.451 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.968 4.136 3.025 1.00 0.00 H new ATOM 293 N ILE A 22 7.360 5.159 -1.715 1.00 0.00 N ATOM 294 CA ILE A 22 7.248 5.180 -3.168 1.00 0.00 C ATOM 295 C ILE A 22 7.601 3.823 -3.766 1.00 0.00 C ATOM 296 O ILE A 22 8.760 3.410 -3.754 1.00 0.00 O ATOM 297 CB ILE A 22 8.162 6.255 -3.787 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.708 7.651 -3.356 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.164 6.137 -5.304 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.227 7.892 -3.551 1.00 0.00 C ATOM 0 H ILE A 22 8.277 5.427 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 22 6.210 5.418 -3.402 1.00 0.00 H new ATOM 0 HB ILE A 22 9.179 6.098 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.956 7.796 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.267 8.397 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.814 6.903 -5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.529 5.151 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.150 6.272 -5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.977 8.901 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.976 7.779 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.660 7.170 -2.964 1.00 0.00 H new ATOM 312 N GLY A 23 6.593 3.133 -4.291 1.00 0.00 N ATOM 313 CA GLY A 23 6.818 1.829 -4.888 1.00 0.00 C ATOM 314 C GLY A 23 6.565 0.694 -3.916 1.00 0.00 C ATOM 315 O GLY A 23 6.702 -0.476 -4.269 1.00 0.00 O ATOM 0 H GLY A 23 5.625 3.453 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.167 1.713 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.844 1.771 -5.250 1.00 0.00 H new ATOM 319 N ALA A 24 6.197 1.041 -2.687 1.00 0.00 N ATOM 320 CA ALA A 24 5.925 0.043 -1.660 1.00 0.00 C ATOM 321 C ALA A 24 4.804 -0.897 -2.093 1.00 0.00 C ATOM 322 O ALA A 24 3.803 -0.464 -2.663 1.00 0.00 O ATOM 323 CB ALA A 24 5.570 0.721 -0.345 1.00 0.00 C ATOM 0 H ALA A 24 6.080 2.006 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 24 6.828 -0.551 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.369 -0.037 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.402 1.346 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.683 1.340 -0.483 1.00 0.00 H new ATOM 329 N ARG A 25 4.980 -2.186 -1.818 1.00 0.00 N ATOM 330 CA ARG A 25 3.985 -3.187 -2.180 1.00 0.00 C ATOM 331 C ARG A 25 3.097 -3.528 -0.987 1.00 0.00 C ATOM 332 O ARG A 25 3.572 -4.038 0.028 1.00 0.00 O ATOM 333 CB ARG A 25 4.669 -4.454 -2.698 1.00 0.00 C ATOM 334 CG ARG A 25 5.645 -4.197 -3.835 1.00 0.00 C ATOM 335 CD ARG A 25 7.012 -3.784 -3.314 1.00 0.00 C ATOM 336 NE ARG A 25 8.008 -3.720 -4.380 1.00 0.00 N ATOM 337 CZ ARG A 25 8.550 -4.793 -4.945 1.00 0.00 C ATOM 338 NH1 ARG A 25 8.194 -6.007 -4.548 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.450 -4.653 -5.910 1.00 0.00 N ATOM 0 H ARG A 25 5.803 -2.561 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 25 3.360 -2.771 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.200 -4.932 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.907 -5.156 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.743 -5.097 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.251 -3.415 -4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.936 -2.810 -2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.340 -4.493 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 25 8.304 -2.801 -4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.502 -6.119 -3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.612 -6.829 -4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.726 -3.721 -6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.866 -5.478 -6.343 1.00 0.00 H new ATOM 353 N LEU A 26 1.806 -3.241 -1.116 1.00 0.00 N ATOM 354 CA LEU A 26 0.851 -3.516 -0.049 1.00 0.00 C ATOM 355 C LEU A 26 -0.536 -3.799 -0.618 1.00 0.00 C ATOM 356 O LEU A 26 -0.753 -3.700 -1.825 1.00 0.00 O ATOM 357 CB LEU A 26 0.785 -2.334 0.921 1.00 0.00 C ATOM 358 CG LEU A 26 0.533 -0.964 0.292 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.738 -0.520 -0.522 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.716 -0.997 -0.577 1.00 0.00 C ATOM 0 H LEU A 26 1.397 -2.818 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 26 1.190 -4.401 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.004 -2.529 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.723 -2.291 1.474 1.00 0.00 H new ATOM 0 HG LEU A 26 0.375 -0.242 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.540 0.457 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.612 -0.455 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.928 -1.243 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.880 -0.013 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.587 -1.732 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.577 -1.269 0.034 1.00 0.00 H new ATOM 372 N GLU A 27 -1.470 -4.150 0.260 1.00 0.00 N ATOM 373 CA GLU A 27 -2.836 -4.446 -0.157 1.00 0.00 C ATOM 374 C GLU A 27 -3.781 -3.312 0.231 1.00 0.00 C ATOM 375 O GLU A 27 -3.548 -2.603 1.209 1.00 0.00 O ATOM 376 CB GLU A 27 -3.311 -5.758 0.472 1.00 0.00 C ATOM 377 CG GLU A 27 -2.472 -6.961 0.078 1.00 0.00 C ATOM 378 CD GLU A 27 -3.249 -8.261 0.141 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.352 -8.323 -0.442 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.755 -9.218 0.774 1.00 0.00 O ATOM 0 H GLU A 27 -1.306 -4.236 1.263 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.844 -4.547 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.298 -5.656 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.346 -5.937 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.092 -6.818 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.607 -7.027 0.737 1.00 0.00 H new ATOM 387 N ALA A 28 -4.847 -3.147 -0.545 1.00 0.00 N ATOM 388 CA ALA A 28 -5.828 -2.101 -0.283 1.00 0.00 C ATOM 389 C ALA A 28 -7.240 -2.674 -0.227 1.00 0.00 C ATOM 390 O ALA A 28 -7.524 -3.713 -0.825 1.00 0.00 O ATOM 391 CB ALA A 28 -5.739 -1.016 -1.346 1.00 0.00 C ATOM 0 H ALA A 28 -5.053 -3.724 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.603 -1.662 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.477 -0.241 -1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.741 -0.578 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.935 -1.450 -2.326 1.00 0.00 H new ATOM 397 N LEU A 29 -8.121 -1.992 0.496 1.00 0.00 N ATOM 398 CA LEU A 29 -9.505 -2.434 0.632 1.00 0.00 C ATOM 399 C LEU A 29 -10.396 -1.760 -0.406 1.00 0.00 C ATOM 400 O LEU A 29 -10.645 -0.556 -0.336 1.00 0.00 O ATOM 401 CB LEU A 29 -10.022 -2.132 2.039 1.00 0.00 C ATOM 402 CG LEU A 29 -11.361 -2.767 2.413 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.167 -4.219 2.823 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.031 -1.981 3.531 1.00 0.00 C ATOM 0 H LEU A 29 -7.902 -1.131 0.997 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.535 -3.511 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.273 -2.462 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.113 -1.051 2.147 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.010 -2.741 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.131 -4.655 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.731 -4.776 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.500 -4.268 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.983 -2.448 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.385 -1.975 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.205 -0.957 3.202 1.00 0.00 H new ATOM 416 N ASP A 30 -10.875 -2.543 -1.366 1.00 0.00 N ATOM 417 CA ASP A 30 -11.742 -2.022 -2.417 1.00 0.00 C ATOM 418 C ASP A 30 -13.121 -1.678 -1.863 1.00 0.00 C ATOM 419 O ASP A 30 -13.491 -2.118 -0.774 1.00 0.00 O ATOM 420 CB ASP A 30 -11.873 -3.040 -3.550 1.00 0.00 C ATOM 421 CG ASP A 30 -12.666 -2.500 -4.724 1.00 0.00 C ATOM 422 OD1 ASP A 30 -12.101 -1.709 -5.508 1.00 0.00 O ATOM 423 OD2 ASP A 30 -13.850 -2.870 -4.860 1.00 0.00 O ATOM 0 H ASP A 30 -10.678 -3.541 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.290 -1.111 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.879 -3.331 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.357 -3.940 -3.172 1.00 0.00 H new ATOM 428 N TYR A 31 -13.876 -0.889 -2.619 1.00 0.00 N ATOM 429 CA TYR A 31 -15.213 -0.484 -2.202 1.00 0.00 C ATOM 430 C TYR A 31 -16.057 -1.696 -1.822 1.00 0.00 C ATOM 431 O TYR A 31 -16.983 -1.596 -1.016 1.00 0.00 O ATOM 432 CB TYR A 31 -15.902 0.301 -3.319 1.00 0.00 C ATOM 433 CG TYR A 31 -15.750 -0.329 -4.685 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.598 -0.134 -5.437 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.758 -1.120 -5.223 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.455 -0.708 -6.686 1.00 0.00 C ATOM 437 CE2 TYR A 31 -16.622 -1.699 -6.470 1.00 0.00 C ATOM 438 CZ TYR A 31 -15.469 -1.489 -7.198 1.00 0.00 C ATOM 439 OH TYR A 31 -15.331 -2.063 -8.441 1.00 0.00 O ATOM 0 H TYR A 31 -13.585 -0.517 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.114 0.155 -1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -16.963 0.392 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.494 1.311 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.801 0.476 -5.039 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.663 -1.285 -4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.553 -0.546 -7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.414 -2.313 -6.873 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.135 -2.583 -8.652 1.00 0.00 H new ATOM 449 N LEU A 32 -15.730 -2.843 -2.407 1.00 0.00 N ATOM 450 CA LEU A 32 -16.456 -4.078 -2.131 1.00 0.00 C ATOM 451 C LEU A 32 -15.847 -4.814 -0.942 1.00 0.00 C ATOM 452 O LEU A 32 -16.091 -6.004 -0.746 1.00 0.00 O ATOM 453 CB LEU A 32 -16.449 -4.983 -3.364 1.00 0.00 C ATOM 454 CG LEU A 32 -17.114 -4.415 -4.618 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.833 -5.303 -5.820 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.613 -4.262 -4.405 1.00 0.00 C ATOM 0 H LEU A 32 -14.966 -2.944 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.485 -3.818 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.414 -5.227 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.945 -5.918 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.693 -3.429 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.314 -4.883 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.757 -5.361 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.226 -6.303 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.069 -3.856 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.050 -5.236 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.795 -3.584 -3.571 1.00 0.00 H new ATOM 468 N GLN A 33 -15.055 -4.096 -0.152 1.00 0.00 N ATOM 469 CA GLN A 33 -14.413 -4.681 1.019 1.00 0.00 C ATOM 470 C GLN A 33 -13.544 -5.872 0.626 1.00 0.00 C ATOM 471 O GLN A 33 -13.324 -6.784 1.423 1.00 0.00 O ATOM 472 CB GLN A 33 -15.465 -5.118 2.040 1.00 0.00 C ATOM 473 CG GLN A 33 -16.261 -3.963 2.625 1.00 0.00 C ATOM 474 CD GLN A 33 -16.931 -4.321 3.937 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.263 -4.545 4.947 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.258 -4.376 3.929 1.00 0.00 N ATOM 0 H GLN A 33 -14.843 -3.110 -0.301 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.774 -3.921 1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.152 -5.818 1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.972 -5.656 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.598 -3.112 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.020 -3.649 1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.771 -4.183 3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.764 -4.611 4.783 1.00 0.00 H new ATOM 485 N LYS A 34 -13.053 -5.857 -0.609 1.00 0.00 N ATOM 486 CA LYS A 34 -12.208 -6.934 -1.110 1.00 0.00 C ATOM 487 C LYS A 34 -10.733 -6.561 -1.005 1.00 0.00 C ATOM 488 O LYS A 34 -10.337 -5.452 -1.363 1.00 0.00 O ATOM 489 CB LYS A 34 -12.562 -7.255 -2.564 1.00 0.00 C ATOM 490 CG LYS A 34 -14.040 -7.531 -2.783 1.00 0.00 C ATOM 491 CD LYS A 34 -14.441 -8.889 -2.232 1.00 0.00 C ATOM 492 CE LYS A 34 -15.612 -9.479 -3.002 1.00 0.00 C ATOM 493 NZ LYS A 34 -16.865 -8.705 -2.785 1.00 0.00 N ATOM 0 H LYS A 34 -13.226 -5.110 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.386 -7.817 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.259 -6.420 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.987 -8.123 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.632 -6.753 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.265 -7.489 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.591 -9.569 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.708 -8.791 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.375 -9.496 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.766 -10.513 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.674 -9.358 -2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.799 -8.181 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.999 -8.035 -3.569 1.00 0.00 H new ATOM 507 N TRP A 35 -9.925 -7.494 -0.514 1.00 0.00 N ATOM 508 CA TRP A 35 -8.493 -7.263 -0.365 1.00 0.00 C ATOM 509 C TRP A 35 -7.745 -7.638 -1.639 1.00 0.00 C ATOM 510 O TRP A 35 -8.051 -8.646 -2.276 1.00 0.00 O ATOM 511 CB TRP A 35 -7.946 -8.066 0.817 1.00 0.00 C ATOM 512 CG TRP A 35 -8.419 -7.563 2.147 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.337 -8.154 2.968 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.000 -6.364 2.808 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.513 -7.395 4.100 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.703 -6.292 4.026 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.096 -5.346 2.491 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.531 -5.242 4.924 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -6.927 -4.305 3.383 1.00 0.00 C ATOM 520 CH2 TRP A 35 -7.640 -4.259 4.588 1.00 0.00 C ATOM 0 H TRP A 35 -10.237 -8.417 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.340 -6.201 -0.176 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.241 -9.109 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.857 -8.038 0.793 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.849 -9.081 2.758 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.144 -7.617 4.870 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.540 -5.373 1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.081 -5.205 5.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.233 -3.512 3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -7.484 -3.432 5.265 1.00 0.00 H new ATOM 531 N TYR A 36 -6.763 -6.821 -2.006 1.00 0.00 N ATOM 532 CA TYR A 36 -5.973 -7.067 -3.206 1.00 0.00 C ATOM 533 C TYR A 36 -4.640 -6.328 -3.141 1.00 0.00 C ATOM 534 O TYR A 36 -4.491 -5.323 -2.446 1.00 0.00 O ATOM 535 CB TYR A 36 -6.749 -6.632 -4.451 1.00 0.00 C ATOM 536 CG TYR A 36 -7.903 -7.547 -4.794 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.681 -8.801 -5.349 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.217 -7.157 -4.563 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.732 -9.639 -5.666 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.275 -7.989 -4.874 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.027 -9.228 -5.426 1.00 0.00 C ATOM 542 OH TYR A 36 -11.078 -10.061 -5.738 1.00 0.00 O ATOM 0 H TYR A 36 -6.496 -5.983 -1.489 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.773 -8.137 -3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.130 -5.622 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.065 -6.589 -5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.668 -9.126 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.414 -6.186 -4.133 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.541 -10.610 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.290 -7.671 -4.686 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.923 -9.622 -5.506 1.00 0.00 H new ATOM 552 N PRO A 37 -3.646 -6.837 -3.884 1.00 0.00 N ATOM 553 CA PRO A 37 -2.307 -6.242 -3.930 1.00 0.00 C ATOM 554 C PRO A 37 -2.293 -4.900 -4.655 1.00 0.00 C ATOM 555 O PRO A 37 -3.094 -4.665 -5.559 1.00 0.00 O ATOM 556 CB PRO A 37 -1.485 -7.276 -4.703 1.00 0.00 C ATOM 557 CG PRO A 37 -2.481 -8.002 -5.540 1.00 0.00 C ATOM 558 CD PRO A 37 -3.752 -8.033 -4.737 1.00 0.00 C ATOM 0 HA PRO A 37 -1.921 -6.030 -2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.724 -6.797 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.966 -7.955 -4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.634 -7.495 -6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.138 -9.011 -5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.633 -7.993 -5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.830 -8.944 -4.144 1.00 0.00 H new ATOM 566 N SER A 38 -1.378 -4.024 -4.252 1.00 0.00 N ATOM 567 CA SER A 38 -1.263 -2.705 -4.862 1.00 0.00 C ATOM 568 C SER A 38 0.103 -2.090 -4.571 1.00 0.00 C ATOM 569 O SER A 38 0.899 -2.647 -3.815 1.00 0.00 O ATOM 570 CB SER A 38 -2.369 -1.783 -4.346 1.00 0.00 C ATOM 571 OG SER A 38 -3.639 -2.195 -4.821 1.00 0.00 O ATOM 0 H SER A 38 -0.706 -4.204 -3.506 1.00 0.00 H new ATOM 0 HA SER A 38 -1.369 -2.820 -5.941 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.367 -1.783 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.172 -0.760 -4.665 1.00 0.00 H new ATOM 0 HG SER A 38 -3.543 -3.023 -5.336 1.00 0.00 H new ATOM 577 N ARG A 39 0.367 -0.938 -5.179 1.00 0.00 N ATOM 578 CA ARG A 39 1.637 -0.247 -4.987 1.00 0.00 C ATOM 579 C ARG A 39 1.424 1.260 -4.871 1.00 0.00 C ATOM 580 O ARG A 39 0.363 1.775 -5.223 1.00 0.00 O ATOM 581 CB ARG A 39 2.587 -0.550 -6.147 1.00 0.00 C ATOM 582 CG ARG A 39 3.491 -1.746 -5.897 1.00 0.00 C ATOM 583 CD ARG A 39 2.812 -3.050 -6.286 1.00 0.00 C ATOM 584 NE ARG A 39 2.813 -3.258 -7.731 1.00 0.00 N ATOM 585 CZ ARG A 39 3.873 -3.676 -8.413 1.00 0.00 C ATOM 586 NH1 ARG A 39 5.012 -3.930 -7.783 1.00 0.00 N ATOM 587 NH2 ARG A 39 3.796 -3.842 -9.727 1.00 0.00 N ATOM 0 H ARG A 39 -0.281 -0.464 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 39 2.081 -0.607 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.001 -0.730 -7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.204 0.328 -6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.413 -1.631 -6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.769 -1.779 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.320 -3.882 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.785 -3.047 -5.921 1.00 0.00 H new ATOM 0 HE ARG A 39 1.952 -3.072 -8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.075 -3.804 -6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.825 -4.251 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.922 -3.648 -10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.611 -4.163 -10.249 1.00 0.00 H new ATOM 601 N ILE A 40 2.439 1.959 -4.374 1.00 0.00 N ATOM 602 CA ILE A 40 2.362 3.405 -4.212 1.00 0.00 C ATOM 603 C ILE A 40 3.136 4.123 -5.313 1.00 0.00 C ATOM 604 O ILE A 40 4.362 4.211 -5.267 1.00 0.00 O ATOM 605 CB ILE A 40 2.911 3.848 -2.843 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.956 3.423 -1.725 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.124 5.354 -2.820 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.570 3.499 -0.345 1.00 0.00 C ATOM 0 H ILE A 40 3.324 1.547 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 40 1.308 3.674 -4.276 1.00 0.00 H new ATOM 0 HB ILE A 40 3.873 3.362 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.070 4.057 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.624 2.401 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.512 5.652 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.837 5.632 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.175 5.858 -3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.837 3.184 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.440 2.844 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.877 4.525 -0.139 1.00 0.00 H new ATOM 620 N GLU A 41 2.409 4.637 -6.301 1.00 0.00 N ATOM 621 CA GLU A 41 3.027 5.348 -7.413 1.00 0.00 C ATOM 622 C GLU A 41 3.566 6.703 -6.961 1.00 0.00 C ATOM 623 O GLU A 41 4.631 7.138 -7.399 1.00 0.00 O ATOM 624 CB GLU A 41 2.019 5.542 -8.548 1.00 0.00 C ATOM 625 CG GLU A 41 1.798 4.293 -9.385 1.00 0.00 C ATOM 626 CD GLU A 41 2.988 3.960 -10.263 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.111 4.565 -11.349 1.00 0.00 O ATOM 628 OE2 GLU A 41 3.797 3.097 -9.865 1.00 0.00 O ATOM 0 H GLU A 41 1.392 4.574 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 41 3.861 4.747 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.066 5.860 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.365 6.347 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.591 3.450 -8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.917 4.431 -10.011 1.00 0.00 H new ATOM 635 N LYS A 42 2.822 7.364 -6.081 1.00 0.00 N ATOM 636 CA LYS A 42 3.223 8.668 -5.567 1.00 0.00 C ATOM 637 C LYS A 42 2.731 8.864 -4.136 1.00 0.00 C ATOM 638 O LYS A 42 2.010 8.023 -3.598 1.00 0.00 O ATOM 639 CB LYS A 42 2.676 9.782 -6.463 1.00 0.00 C ATOM 640 CG LYS A 42 3.605 10.154 -7.606 1.00 0.00 C ATOM 641 CD LYS A 42 2.933 11.105 -8.583 1.00 0.00 C ATOM 642 CE LYS A 42 3.168 12.557 -8.197 1.00 0.00 C ATOM 643 NZ LYS A 42 4.619 12.891 -8.151 1.00 0.00 N ATOM 0 H LYS A 42 1.938 7.018 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 42 4.312 8.712 -5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.716 9.469 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.489 10.667 -5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.507 10.618 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.917 9.251 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.317 10.928 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.862 10.903 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.668 13.209 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.720 12.751 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.751 13.898 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.990 12.697 -7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.131 12.312 -8.847 1.00 0.00 H new ATOM 657 N ILE A 43 3.122 9.978 -3.528 1.00 0.00 N ATOM 658 CA ILE A 43 2.718 10.285 -2.161 1.00 0.00 C ATOM 659 C ILE A 43 2.645 11.791 -1.934 1.00 0.00 C ATOM 660 O ILE A 43 3.668 12.474 -1.896 1.00 0.00 O ATOM 661 CB ILE A 43 3.689 9.669 -1.136 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.592 8.142 -1.162 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.392 10.200 0.259 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.630 7.456 -0.303 1.00 0.00 C ATOM 0 H ILE A 43 3.718 10.684 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 43 1.728 9.851 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 43 4.706 9.954 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.599 7.843 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.698 7.797 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.086 9.756 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.507 11.284 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.370 9.941 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.501 6.376 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.627 7.725 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.511 7.772 0.733 1.00 0.00 H new ATOM 676 N ASP A 44 1.428 12.302 -1.783 1.00 0.00 N ATOM 677 CA ASP A 44 1.220 13.727 -1.556 1.00 0.00 C ATOM 678 C ASP A 44 1.324 14.062 -0.071 1.00 0.00 C ATOM 679 O ASP A 44 0.419 13.762 0.708 1.00 0.00 O ATOM 680 CB ASP A 44 -0.146 14.157 -2.094 1.00 0.00 C ATOM 681 CG ASP A 44 -0.165 15.609 -2.531 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.172 16.482 -1.704 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.516 15.872 -3.700 1.00 0.00 O ATOM 0 H ASP A 44 0.571 11.750 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 44 2.000 14.272 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.417 13.523 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.902 14.002 -1.324 1.00 0.00 H new ATOM 688 N TYR A 45 2.433 14.684 0.313 1.00 0.00 N ATOM 689 CA TYR A 45 2.657 15.057 1.705 1.00 0.00 C ATOM 690 C TYR A 45 2.019 16.407 2.017 1.00 0.00 C ATOM 691 O TYR A 45 1.694 16.701 3.167 1.00 0.00 O ATOM 692 CB TYR A 45 4.156 15.107 2.007 1.00 0.00 C ATOM 693 CG TYR A 45 4.786 13.742 2.172 1.00 0.00 C ATOM 694 CD1 TYR A 45 5.215 13.015 1.069 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.952 13.180 3.432 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.790 11.767 1.215 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.528 11.934 3.588 1.00 0.00 C ATOM 698 CZ TYR A 45 5.944 11.232 2.477 1.00 0.00 C ATOM 699 OH TYR A 45 6.518 9.990 2.627 1.00 0.00 O ATOM 0 H TYR A 45 3.191 14.941 -0.320 1.00 0.00 H new ATOM 0 HA TYR A 45 2.191 14.301 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.663 15.637 1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.316 15.684 2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.097 13.432 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.625 13.727 4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.117 11.214 0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.652 11.512 4.575 1.00 0.00 H new ATOM 0 HH TYR A 45 6.554 9.759 3.579 1.00 0.00 H new ATOM 709 N GLU A 46 1.843 17.224 0.983 1.00 0.00 N ATOM 710 CA GLU A 46 1.244 18.544 1.146 1.00 0.00 C ATOM 711 C GLU A 46 -0.267 18.437 1.328 1.00 0.00 C ATOM 712 O GLU A 46 -0.879 19.254 2.015 1.00 0.00 O ATOM 713 CB GLU A 46 1.562 19.426 -0.063 1.00 0.00 C ATOM 714 CG GLU A 46 2.859 20.205 0.076 1.00 0.00 C ATOM 715 CD GLU A 46 3.214 20.976 -1.181 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.851 20.512 -2.283 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.854 22.041 -1.063 1.00 0.00 O ATOM 0 H GLU A 46 2.106 16.995 0.024 1.00 0.00 H new ATOM 0 HA GLU A 46 1.669 18.999 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.618 18.800 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.742 20.127 -0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.774 20.899 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.669 19.516 0.316 1.00 0.00 H new ATOM 724 N GLU A 47 -0.862 17.423 0.708 1.00 0.00 N ATOM 725 CA GLU A 47 -2.301 17.209 0.800 1.00 0.00 C ATOM 726 C GLU A 47 -2.621 16.064 1.757 1.00 0.00 C ATOM 727 O GLU A 47 -3.541 16.158 2.569 1.00 0.00 O ATOM 728 CB GLU A 47 -2.885 16.912 -0.582 1.00 0.00 C ATOM 729 CG GLU A 47 -3.075 18.150 -1.442 1.00 0.00 C ATOM 730 CD GLU A 47 -3.619 19.327 -0.658 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.743 19.215 -0.123 1.00 0.00 O ATOM 732 OE2 GLU A 47 -2.923 20.361 -0.578 1.00 0.00 O ATOM 0 H GLU A 47 -0.369 16.737 0.136 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.754 18.121 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.228 16.216 -1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.846 16.413 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.121 18.427 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.756 17.918 -2.261 1.00 0.00 H new ATOM 739 N GLY A 48 -1.854 14.983 1.654 1.00 0.00 N ATOM 740 CA GLY A 48 -2.072 13.835 2.515 1.00 0.00 C ATOM 741 C GLY A 48 -2.674 12.659 1.772 1.00 0.00 C ATOM 742 O GLY A 48 -3.248 11.757 2.382 1.00 0.00 O ATOM 0 H GLY A 48 -1.086 14.882 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.124 13.533 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.732 14.119 3.334 1.00 0.00 H new ATOM 746 N LYS A 49 -2.545 12.668 0.450 1.00 0.00 N ATOM 747 CA LYS A 49 -3.081 11.595 -0.379 1.00 0.00 C ATOM 748 C LYS A 49 -1.984 10.970 -1.236 1.00 0.00 C ATOM 749 O LYS A 49 -1.205 11.676 -1.875 1.00 0.00 O ATOM 750 CB LYS A 49 -4.202 12.126 -1.275 1.00 0.00 C ATOM 751 CG LYS A 49 -3.804 13.342 -2.092 1.00 0.00 C ATOM 752 CD LYS A 49 -4.723 13.537 -3.286 1.00 0.00 C ATOM 753 CE LYS A 49 -4.046 14.342 -4.385 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.941 14.542 -5.558 1.00 0.00 N ATOM 0 H LYS A 49 -2.073 13.407 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.485 10.827 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.521 11.333 -1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.061 12.381 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.832 14.230 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.776 13.229 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.023 12.565 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.632 14.047 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.743 15.312 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.138 13.829 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.443 15.095 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.211 13.617 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.796 15.054 -5.259 1.00 0.00 H new ATOM 768 N MET A 50 -1.931 9.642 -1.245 1.00 0.00 N ATOM 769 CA MET A 50 -0.931 8.923 -2.026 1.00 0.00 C ATOM 770 C MET A 50 -1.572 8.234 -3.227 1.00 0.00 C ATOM 771 O MET A 50 -2.719 7.789 -3.161 1.00 0.00 O ATOM 772 CB MET A 50 -0.216 7.891 -1.153 1.00 0.00 C ATOM 773 CG MET A 50 -1.076 7.352 -0.021 1.00 0.00 C ATOM 774 SD MET A 50 -0.349 5.908 0.776 1.00 0.00 S ATOM 775 CE MET A 50 -1.631 4.687 0.500 1.00 0.00 C ATOM 0 H MET A 50 -2.568 9.042 -0.721 1.00 0.00 H new ATOM 0 HA MET A 50 -0.202 9.647 -2.391 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.109 7.060 -1.779 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.682 8.343 -0.732 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.225 8.136 0.722 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.060 7.091 -0.410 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.271 3.706 0.809 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.515 4.949 1.082 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.888 4.662 -0.559 1.00 0.00 H new ATOM 785 N LEU A 51 -0.825 8.148 -4.322 1.00 0.00 N ATOM 786 CA LEU A 51 -1.321 7.512 -5.538 1.00 0.00 C ATOM 787 C LEU A 51 -1.062 6.009 -5.511 1.00 0.00 C ATOM 788 O LEU A 51 0.057 5.557 -5.756 1.00 0.00 O ATOM 789 CB LEU A 51 -0.658 8.133 -6.769 1.00 0.00 C ATOM 790 CG LEU A 51 -1.482 8.116 -8.056 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.626 8.525 -9.244 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.089 6.739 -8.282 1.00 0.00 C ATOM 0 H LEU A 51 0.126 8.510 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.397 7.676 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.405 9.168 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.280 7.609 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.293 8.837 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.230 8.507 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.240 9.532 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.207 7.830 -9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.672 6.745 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.293 5.999 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.737 6.485 -7.443 1.00 0.00 H new ATOM 804 N VAL A 52 -2.104 5.239 -5.214 1.00 0.00 N ATOM 805 CA VAL A 52 -1.991 3.787 -5.159 1.00 0.00 C ATOM 806 C VAL A 52 -2.601 3.140 -6.398 1.00 0.00 C ATOM 807 O VAL A 52 -3.633 3.586 -6.900 1.00 0.00 O ATOM 808 CB VAL A 52 -2.680 3.218 -3.905 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.160 3.570 -3.901 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.482 1.711 -3.826 1.00 0.00 C ATOM 0 H VAL A 52 -3.036 5.597 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.927 3.554 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.222 3.669 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.629 3.159 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.276 4.654 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.636 3.150 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.975 1.325 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.912 1.241 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.417 1.486 -3.777 1.00 0.00 H new ATOM 820 N HIS A 53 -1.955 2.086 -6.887 1.00 0.00 N ATOM 821 CA HIS A 53 -2.435 1.376 -8.067 1.00 0.00 C ATOM 822 C HIS A 53 -2.786 -0.069 -7.727 1.00 0.00 C ATOM 823 O HIS A 53 -2.106 -0.712 -6.927 1.00 0.00 O ATOM 824 CB HIS A 53 -1.379 1.410 -9.173 1.00 0.00 C ATOM 825 CG HIS A 53 -0.488 0.207 -9.187 1.00 0.00 C ATOM 826 ND1 HIS A 53 -0.949 -1.068 -9.438 1.00 0.00 N ATOM 827 CD2 HIS A 53 0.845 0.089 -8.980 1.00 0.00 C ATOM 828 CE1 HIS A 53 0.061 -1.918 -9.383 1.00 0.00 C ATOM 829 NE2 HIS A 53 1.161 -1.241 -9.108 1.00 0.00 N ATOM 0 H HIS A 53 -1.099 1.705 -6.485 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.337 1.877 -8.420 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.878 1.493 -10.138 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.767 2.304 -9.052 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.918 -1.316 -9.635 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.532 0.892 -8.756 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.002 -2.985 -9.537 1.00 0.00 H new ATOM 837 N PHE A 54 -3.852 -0.574 -8.340 1.00 0.00 N ATOM 838 CA PHE A 54 -4.295 -1.942 -8.100 1.00 0.00 C ATOM 839 C PHE A 54 -3.754 -2.884 -9.172 1.00 0.00 C ATOM 840 O PHE A 54 -3.912 -2.636 -10.367 1.00 0.00 O ATOM 841 CB PHE A 54 -5.823 -2.009 -8.071 1.00 0.00 C ATOM 842 CG PHE A 54 -6.432 -1.282 -6.906 1.00 0.00 C ATOM 843 CD1 PHE A 54 -6.548 0.098 -6.917 1.00 0.00 C ATOM 844 CD2 PHE A 54 -6.890 -1.980 -5.800 1.00 0.00 C ATOM 845 CE1 PHE A 54 -7.108 0.769 -5.846 1.00 0.00 C ATOM 846 CE2 PHE A 54 -7.451 -1.315 -4.726 1.00 0.00 C ATOM 847 CZ PHE A 54 -7.561 0.062 -4.750 1.00 0.00 C ATOM 0 H PHE A 54 -4.425 -0.056 -9.006 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.906 -2.259 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.215 -1.588 -8.997 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.133 -3.054 -8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.197 0.656 -7.772 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.808 -3.057 -5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.191 1.846 -5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.803 -1.871 -3.869 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.000 0.584 -3.913 1.00 0.00 H new ATOM 857 N GLU A 55 -3.115 -3.965 -8.734 1.00 0.00 N ATOM 858 CA GLU A 55 -2.550 -4.943 -9.656 1.00 0.00 C ATOM 859 C GLU A 55 -3.532 -5.263 -10.780 1.00 0.00 C ATOM 860 O GLU A 55 -3.184 -5.202 -11.959 1.00 0.00 O ATOM 861 CB GLU A 55 -2.177 -6.225 -8.909 1.00 0.00 C ATOM 862 CG GLU A 55 -0.795 -6.182 -8.278 1.00 0.00 C ATOM 863 CD GLU A 55 0.314 -6.416 -9.286 1.00 0.00 C ATOM 864 OE1 GLU A 55 0.101 -6.121 -10.480 1.00 0.00 O ATOM 865 OE2 GLU A 55 1.393 -6.895 -8.880 1.00 0.00 O ATOM 0 H GLU A 55 -2.976 -4.185 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.650 -4.512 -10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.917 -6.410 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.225 -7.066 -9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.648 -5.214 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.734 -6.937 -7.494 1.00 0.00 H new ATOM 872 N ARG A 56 -4.760 -5.605 -10.404 1.00 0.00 N ATOM 873 CA ARG A 56 -5.793 -5.936 -11.379 1.00 0.00 C ATOM 874 C ARG A 56 -7.178 -5.890 -10.740 1.00 0.00 C ATOM 875 O ARG A 56 -7.313 -5.619 -9.547 1.00 0.00 O ATOM 876 CB ARG A 56 -5.538 -7.324 -11.970 1.00 0.00 C ATOM 877 CG ARG A 56 -6.104 -7.502 -13.370 1.00 0.00 C ATOM 878 CD ARG A 56 -5.332 -8.552 -14.153 1.00 0.00 C ATOM 879 NE ARG A 56 -5.772 -9.907 -13.834 1.00 0.00 N ATOM 880 CZ ARG A 56 -5.228 -10.651 -12.877 1.00 0.00 C ATOM 881 NH1 ARG A 56 -4.227 -10.173 -12.150 1.00 0.00 N ATOM 882 NH2 ARG A 56 -5.684 -11.875 -12.646 1.00 0.00 N ATOM 0 H ARG A 56 -5.064 -5.660 -9.432 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.756 -5.195 -12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.464 -7.507 -11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.974 -8.076 -11.312 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.153 -7.792 -13.306 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.069 -6.551 -13.902 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.457 -8.372 -15.221 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.268 -8.456 -13.936 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.539 -10.304 -14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.873 -9.232 -12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.811 -10.746 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.453 -12.246 -13.203 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.265 -12.445 -11.911 1.00 0.00 H new ATOM 896 N TRP A 57 -8.202 -6.154 -11.543 1.00 0.00 N ATOM 897 CA TRP A 57 -9.577 -6.142 -11.056 1.00 0.00 C ATOM 898 C TRP A 57 -9.973 -4.749 -10.578 1.00 0.00 C ATOM 899 O TRP A 57 -10.408 -4.575 -9.439 1.00 0.00 O ATOM 900 CB TRP A 57 -9.747 -7.153 -9.921 1.00 0.00 C ATOM 901 CG TRP A 57 -11.080 -7.064 -9.241 1.00 0.00 C ATOM 902 CD1 TRP A 57 -12.274 -7.528 -9.715 1.00 0.00 C ATOM 903 CD2 TRP A 57 -11.354 -6.473 -7.966 1.00 0.00 C ATOM 904 NE1 TRP A 57 -13.274 -7.261 -8.811 1.00 0.00 N ATOM 905 CE2 TRP A 57 -12.736 -6.616 -7.730 1.00 0.00 C ATOM 906 CE3 TRP A 57 -10.567 -5.840 -7.001 1.00 0.00 C ATOM 907 CZ2 TRP A 57 -13.344 -6.147 -6.568 1.00 0.00 C ATOM 908 CZ3 TRP A 57 -11.173 -5.375 -5.849 1.00 0.00 C ATOM 909 CH2 TRP A 57 -12.549 -5.531 -5.640 1.00 0.00 C ATOM 0 H TRP A 57 -8.107 -6.379 -12.533 1.00 0.00 H new ATOM 0 HA TRP A 57 -10.231 -6.421 -11.882 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.616 -8.160 -10.318 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.960 -6.996 -9.184 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.412 -8.031 -10.661 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -14.258 -7.504 -8.927 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -9.505 -5.716 -7.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.405 -6.265 -6.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -10.575 -4.883 -5.097 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -12.992 -5.158 -4.728 1.00 0.00 H new ATOM 920 N SER A 58 -9.819 -3.761 -11.453 1.00 0.00 N ATOM 921 CA SER A 58 -10.157 -2.383 -11.117 1.00 0.00 C ATOM 922 C SER A 58 -10.151 -1.503 -12.364 1.00 0.00 C ATOM 923 O SER A 58 -9.278 -1.630 -13.223 1.00 0.00 O ATOM 924 CB SER A 58 -9.172 -1.831 -10.085 1.00 0.00 C ATOM 925 OG SER A 58 -9.523 -0.513 -9.699 1.00 0.00 O ATOM 0 H SER A 58 -9.462 -3.889 -12.400 1.00 0.00 H new ATOM 0 HA SER A 58 -11.161 -2.374 -10.692 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.158 -2.479 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.164 -1.835 -10.501 1.00 0.00 H new ATOM 0 HG SER A 58 -8.879 -0.183 -9.038 1.00 0.00 H new ATOM 931 N HIS A 59 -11.131 -0.610 -12.455 1.00 0.00 N ATOM 932 CA HIS A 59 -11.240 0.292 -13.596 1.00 0.00 C ATOM 933 C HIS A 59 -10.174 1.382 -13.530 1.00 0.00 C ATOM 934 O HIS A 59 -9.476 1.641 -14.510 1.00 0.00 O ATOM 935 CB HIS A 59 -12.631 0.925 -13.641 1.00 0.00 C ATOM 936 CG HIS A 59 -12.733 2.080 -14.589 1.00 0.00 C ATOM 937 ND1 HIS A 59 -11.994 2.400 -15.678 1.00 0.00 N flip ATOM 938 CD2 HIS A 59 -13.684 3.071 -14.468 1.00 0.00 C flip ATOM 939 CE1 HIS A 59 -12.508 3.565 -16.190 1.00 0.00 C flip ATOM 940 NE2 HIS A 59 -13.527 3.950 -15.443 1.00 0.00 N flip ATOM 0 H HIS A 59 -11.861 -0.492 -11.753 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.084 -0.290 -14.504 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.358 0.165 -13.928 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.900 1.262 -12.640 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -11.203 1.873 -16.049 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.439 3.121 -13.697 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.139 4.083 -17.063 1.00 0.00 H new ATOM 948 N ARG A 60 -10.055 2.017 -12.368 1.00 0.00 N ATOM 949 CA ARG A 60 -9.076 3.080 -12.176 1.00 0.00 C ATOM 950 C ARG A 60 -7.741 2.510 -11.703 1.00 0.00 C ATOM 951 O ARG A 60 -7.419 2.561 -10.515 1.00 0.00 O ATOM 952 CB ARG A 60 -9.594 4.102 -11.163 1.00 0.00 C ATOM 953 CG ARG A 60 -10.861 4.813 -11.609 1.00 0.00 C ATOM 954 CD ARG A 60 -11.704 5.248 -10.420 1.00 0.00 C ATOM 955 NE ARG A 60 -12.654 6.298 -10.778 1.00 0.00 N ATOM 956 CZ ARG A 60 -13.735 6.586 -10.062 1.00 0.00 C ATOM 957 NH1 ARG A 60 -14.002 5.906 -8.956 1.00 0.00 N ATOM 958 NH2 ARG A 60 -14.552 7.556 -10.452 1.00 0.00 N ATOM 0 H ARG A 60 -10.624 1.814 -11.546 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.921 3.575 -13.135 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.785 3.598 -10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.817 4.844 -10.978 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.599 5.685 -12.209 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.445 4.151 -12.248 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.246 4.388 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.051 5.606 -9.624 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.478 6.840 -11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.377 5.159 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.833 6.129 -8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.350 8.082 -11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.382 7.776 -9.901 1.00 0.00 H new ATOM 972 N TYR A 61 -6.970 1.969 -12.639 1.00 0.00 N ATOM 973 CA TYR A 61 -5.672 1.387 -12.317 1.00 0.00 C ATOM 974 C TYR A 61 -5.004 2.145 -11.174 1.00 0.00 C ATOM 975 O TYR A 61 -4.642 1.559 -10.154 1.00 0.00 O ATOM 976 CB TYR A 61 -4.766 1.398 -13.550 1.00 0.00 C ATOM 977 CG TYR A 61 -4.989 0.224 -14.476 1.00 0.00 C ATOM 978 CD1 TYR A 61 -6.104 0.169 -15.304 1.00 0.00 C ATOM 979 CD2 TYR A 61 -4.087 -0.832 -14.522 1.00 0.00 C ATOM 980 CE1 TYR A 61 -6.312 -0.902 -16.151 1.00 0.00 C ATOM 981 CE2 TYR A 61 -4.287 -1.906 -15.367 1.00 0.00 C ATOM 982 CZ TYR A 61 -5.401 -1.937 -16.179 1.00 0.00 C ATOM 983 OH TYR A 61 -5.604 -3.006 -17.021 1.00 0.00 O ATOM 0 H TYR A 61 -7.221 1.921 -13.627 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.832 0.356 -12.000 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.931 2.323 -14.103 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.725 1.402 -13.226 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.820 0.977 -15.285 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.214 -0.813 -13.886 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.184 -0.929 -16.788 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.575 -2.717 -15.392 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.870 -3.647 -16.919 1.00 0.00 H new ATOM 993 N ASP A 62 -4.845 3.452 -11.353 1.00 0.00 N ATOM 994 CA ASP A 62 -4.222 4.292 -10.336 1.00 0.00 C ATOM 995 C ASP A 62 -5.245 5.232 -9.707 1.00 0.00 C ATOM 996 O ASP A 62 -5.916 5.991 -10.405 1.00 0.00 O ATOM 997 CB ASP A 62 -3.075 5.100 -10.945 1.00 0.00 C ATOM 998 CG ASP A 62 -2.413 4.383 -12.106 1.00 0.00 C ATOM 999 OD1 ASP A 62 -2.305 3.140 -12.051 1.00 0.00 O ATOM 1000 OD2 ASP A 62 -2.003 5.065 -13.069 1.00 0.00 O ATOM 0 H ASP A 62 -5.139 3.952 -12.192 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.825 3.642 -9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.454 6.063 -11.286 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.330 5.304 -10.176 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.358 5.174 -8.383 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.301 6.019 -7.661 1.00 0.00 C ATOM 1007 C GLU A 63 -5.693 6.520 -6.354 1.00 0.00 C ATOM 1008 O GLU A 63 -5.197 5.734 -5.547 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.593 5.250 -7.373 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.525 5.966 -6.410 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.495 5.021 -5.726 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.528 4.683 -6.341 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -9.219 4.620 -4.576 1.00 0.00 O ATOM 0 H GLU A 63 -4.809 4.552 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.531 6.880 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.119 5.075 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.340 4.273 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.933 6.483 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.086 6.727 -6.952 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.734 7.832 -6.154 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.185 8.439 -4.947 1.00 0.00 C ATOM 1022 C TRP A 64 -6.030 8.084 -3.728 1.00 0.00 C ATOM 1023 O TRP A 64 -7.245 8.283 -3.725 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.108 9.958 -5.104 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.077 10.401 -6.098 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.231 10.498 -7.451 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.732 10.804 -5.815 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.064 10.937 -8.027 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.129 11.133 -7.045 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -1.980 10.920 -4.644 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -0.810 11.569 -7.133 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.670 11.353 -4.733 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.096 11.674 -5.970 1.00 0.00 C ATOM 0 H TRP A 64 -6.142 8.496 -6.812 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.180 8.046 -4.797 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.084 10.334 -5.411 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.884 10.405 -4.135 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.137 10.264 -7.989 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -2.917 11.092 -9.024 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.414 10.676 -3.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.365 11.816 -8.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.079 11.445 -3.834 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.930 12.011 -6.007 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.379 7.559 -2.695 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.072 7.178 -1.470 1.00 0.00 C ATOM 1046 C ILE A 65 -5.348 7.714 -0.240 1.00 0.00 C ATOM 1047 O ILE A 65 -4.174 7.415 -0.018 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.202 5.648 -1.349 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -7.016 5.090 -2.519 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.846 5.275 -0.023 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -7.188 3.588 -2.472 1.00 0.00 C ATOM 0 H ILE A 65 -4.374 7.388 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.069 7.616 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.205 5.209 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.999 5.560 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.527 5.363 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.931 4.191 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.231 5.645 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.838 5.722 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.774 3.262 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.209 3.109 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.704 3.309 -1.553 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.055 8.506 0.558 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.480 9.085 1.766 1.00 0.00 C ATOM 1065 C TYR A 66 -4.701 8.036 2.555 1.00 0.00 C ATOM 1066 O TYR A 66 -5.252 7.012 2.960 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.580 9.685 2.643 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.260 10.885 2.025 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.517 11.923 1.477 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.646 10.982 1.988 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.134 13.023 0.911 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.271 12.076 1.423 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.511 13.094 0.886 1.00 0.00 C ATOM 1074 OH TYR A 66 -9.130 14.187 0.324 1.00 0.00 O ATOM 0 H TYR A 66 -7.028 8.762 0.390 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.791 9.875 1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.328 8.919 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.151 9.975 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.438 11.870 1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.245 10.188 2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.541 13.822 0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.349 12.134 1.402 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.102 14.080 0.386 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.417 8.300 2.769 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.561 7.380 3.509 1.00 0.00 C ATOM 1086 C TRP A 67 -3.085 7.170 4.926 1.00 0.00 C ATOM 1087 O TRP A 67 -2.600 6.305 5.655 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.128 7.911 3.556 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.047 9.379 3.848 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.084 10.212 4.156 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.135 10.187 3.857 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.619 11.489 4.356 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.261 11.500 4.180 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.489 9.929 3.626 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.650 12.549 4.275 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.391 10.971 3.721 1.00 0.00 C ATOM 1097 CH2 TRP A 67 1.969 12.268 4.044 1.00 0.00 C ATOM 0 H TRP A 67 -2.946 9.143 2.441 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.569 6.420 2.992 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.571 7.365 4.317 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.643 7.711 2.601 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.118 9.911 4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.192 12.298 4.597 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.824 8.933 3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.327 13.549 4.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.440 10.783 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.699 13.061 4.112 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.077 7.966 5.309 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.667 7.866 6.639 1.00 0.00 C ATOM 1110 C ASP A 68 -6.083 7.303 6.564 1.00 0.00 C ATOM 1111 O ASP A 68 -6.896 7.518 7.463 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.685 9.237 7.317 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.944 10.021 7.003 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -5.969 10.711 5.963 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.904 9.946 7.799 1.00 0.00 O ATOM 0 H ASP A 68 -4.490 8.688 4.718 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.055 7.185 7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.601 9.107 8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.815 9.809 6.996 1.00 0.00 H new ATOM 1120 N SER A 69 -6.372 6.583 5.484 1.00 0.00 N ATOM 1121 CA SER A 69 -7.692 5.994 5.289 1.00 0.00 C ATOM 1122 C SER A 69 -7.840 4.712 6.102 1.00 0.00 C ATOM 1123 O SER A 69 -8.950 4.294 6.427 1.00 0.00 O ATOM 1124 CB SER A 69 -7.928 5.701 3.806 1.00 0.00 C ATOM 1125 OG SER A 69 -9.308 5.761 3.489 1.00 0.00 O ATOM 0 H SER A 69 -5.710 6.394 4.731 1.00 0.00 H new ATOM 0 HA SER A 69 -8.438 6.710 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.380 6.421 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.538 4.713 3.560 1.00 0.00 H new ATOM 0 HG SER A 69 -9.418 6.049 2.559 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.710 4.092 6.428 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.713 2.856 7.203 1.00 0.00 C ATOM 1133 C ASN A 70 -7.399 1.732 6.433 1.00 0.00 C ATOM 1134 O ASN A 70 -7.948 0.804 7.027 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.415 3.073 8.545 1.00 0.00 C ATOM 1136 CG ASN A 70 -7.475 1.806 9.377 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -8.550 1.372 9.790 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -6.316 1.208 9.628 1.00 0.00 N ATOM 0 H ASN A 70 -5.782 4.425 6.168 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.678 2.568 7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.891 3.848 9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.427 3.437 8.368 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.293 0.353 10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.449 1.604 9.265 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.363 1.823 5.107 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.981 0.814 4.255 1.00 0.00 C ATOM 1147 C ARG A 71 -6.922 -0.067 3.598 1.00 0.00 C ATOM 1148 O ARG A 71 -7.189 -0.736 2.599 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.843 1.482 3.182 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.867 2.455 3.741 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.487 3.304 2.642 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.112 2.486 1.606 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.027 2.945 0.760 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.423 4.208 0.827 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -12.549 2.139 -0.156 1.00 0.00 N ATOM 0 H ARG A 71 -6.913 2.585 4.600 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.614 0.184 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.194 2.012 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.361 0.711 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.650 1.902 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.391 3.102 4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.232 3.971 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.719 3.933 2.193 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.830 1.509 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.025 4.831 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.126 4.557 0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.247 1.166 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.252 2.492 -0.805 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.721 -0.060 4.165 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.621 -0.858 3.635 1.00 0.00 C ATOM 1171 C LEU A 72 -4.082 -1.815 4.693 1.00 0.00 C ATOM 1172 O LEU A 72 -4.227 -1.575 5.892 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.498 0.053 3.136 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.939 1.344 2.444 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.919 2.448 2.675 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.144 1.108 0.955 1.00 0.00 C ATOM 0 H LEU A 72 -5.484 0.489 4.991 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.002 -1.446 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.867 0.317 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.878 -0.514 2.442 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.889 1.659 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.249 3.359 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.822 2.635 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.954 2.142 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.458 2.037 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.209 0.769 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.912 0.349 0.809 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.458 -2.898 4.242 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.896 -3.890 5.151 1.00 0.00 C ATOM 1190 C ARG A 73 -1.481 -4.274 4.729 1.00 0.00 C ATOM 1191 O ARG A 73 -1.106 -4.174 3.561 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.783 -5.136 5.191 1.00 0.00 C ATOM 1193 CG ARG A 73 -4.017 -5.761 3.825 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.060 -6.866 3.889 1.00 0.00 C ATOM 1195 NE ARG A 73 -4.525 -8.090 4.479 1.00 0.00 N ATOM 1196 CZ ARG A 73 -4.477 -8.316 5.788 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -4.930 -7.404 6.638 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -3.976 -9.454 6.248 1.00 0.00 N ATOM 0 H ARG A 73 -3.329 -3.111 3.253 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.853 -3.450 6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.325 -5.877 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.745 -4.873 5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.342 -4.993 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.080 -6.166 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.914 -6.525 4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.426 -7.078 2.884 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.168 -8.811 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.316 -6.527 6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.892 -7.579 7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.627 -10.157 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.940 -9.626 7.253 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.674 -4.722 5.703 1.00 0.00 N ATOM 1213 CA PRO A 74 0.712 -5.129 5.457 1.00 0.00 C ATOM 1214 C PRO A 74 0.803 -6.421 4.652 1.00 0.00 C ATOM 1215 O PRO A 74 0.651 -7.516 5.196 1.00 0.00 O ATOM 1216 CB PRO A 74 1.276 -5.336 6.865 1.00 0.00 C ATOM 1217 CG PRO A 74 0.087 -5.648 7.707 1.00 0.00 C ATOM 1218 CD PRO A 74 -1.054 -4.867 7.118 1.00 0.00 C ATOM 0 HA PRO A 74 1.256 -4.389 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.000 -6.150 6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.790 -4.443 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.127 -6.717 7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.259 -5.365 8.745 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.001 -5.395 7.228 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.171 -3.898 7.604 1.00 0.00 H new ATOM 1226 N LEU A 75 1.053 -6.288 3.355 1.00 0.00 N ATOM 1227 CA LEU A 75 1.165 -7.445 2.474 1.00 0.00 C ATOM 1228 C LEU A 75 2.255 -8.396 2.960 1.00 0.00 C ATOM 1229 O LEU A 75 3.296 -7.961 3.451 1.00 0.00 O ATOM 1230 CB LEU A 75 1.466 -6.995 1.043 1.00 0.00 C ATOM 1231 CG LEU A 75 1.977 -8.078 0.092 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.816 -8.761 -0.613 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.944 -7.484 -0.922 1.00 0.00 C ATOM 0 H LEU A 75 1.182 -5.390 2.889 1.00 0.00 H new ATOM 0 HA LEU A 75 0.213 -7.975 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.557 -6.567 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.206 -6.196 1.083 1.00 0.00 H new ATOM 0 HG LEU A 75 2.510 -8.827 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.199 -9.528 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.161 -9.221 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.254 -8.024 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.298 -8.269 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.435 -6.715 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.793 -7.042 -0.400 1.00 0.00 H new ATOM 1245 N GLU A 76 2.008 -9.694 2.817 1.00 0.00 N ATOM 1246 CA GLU A 76 2.969 -10.705 3.240 1.00 0.00 C ATOM 1247 C GLU A 76 3.909 -11.075 2.097 1.00 0.00 C ATOM 1248 O GLU A 76 3.530 -11.800 1.177 1.00 0.00 O ATOM 1249 CB GLU A 76 2.242 -11.954 3.741 1.00 0.00 C ATOM 1250 CG GLU A 76 1.346 -11.697 4.942 1.00 0.00 C ATOM 1251 CD GLU A 76 0.675 -12.959 5.450 1.00 0.00 C ATOM 1252 OE1 GLU A 76 1.396 -13.883 5.880 1.00 0.00 O ATOM 1253 OE2 GLU A 76 -0.572 -13.021 5.417 1.00 0.00 O ATOM 0 H GLU A 76 1.151 -10.070 2.412 1.00 0.00 H new ATOM 0 HA GLU A 76 3.562 -10.287 4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.640 -12.363 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.979 -12.712 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.938 -11.256 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.582 -10.968 4.672 1.00 0.00 H new ATOM 1260 N ARG A 77 5.137 -10.570 2.161 1.00 0.00 N ATOM 1261 CA ARG A 77 6.131 -10.845 1.131 1.00 0.00 C ATOM 1262 C ARG A 77 7.391 -11.453 1.739 1.00 0.00 C ATOM 1263 O ARG A 77 7.821 -11.086 2.833 1.00 0.00 O ATOM 1264 CB ARG A 77 6.484 -9.561 0.377 1.00 0.00 C ATOM 1265 CG ARG A 77 7.658 -9.718 -0.576 1.00 0.00 C ATOM 1266 CD ARG A 77 8.422 -8.413 -0.737 1.00 0.00 C ATOM 1267 NE ARG A 77 9.210 -8.090 0.450 1.00 0.00 N ATOM 1268 CZ ARG A 77 10.299 -7.330 0.424 1.00 0.00 C ATOM 1269 NH1 ARG A 77 10.727 -6.817 -0.721 1.00 0.00 N ATOM 1270 NH2 ARG A 77 10.963 -7.081 1.546 1.00 0.00 N ATOM 0 H ARG A 77 5.467 -9.968 2.916 1.00 0.00 H new ATOM 0 HA ARG A 77 5.703 -11.563 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.612 -9.229 -0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.715 -8.778 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.330 -10.491 -0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.297 -10.052 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.082 -8.483 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.719 -7.604 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 77 8.907 -8.469 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.220 -7.005 -1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.564 -6.234 -0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.637 -7.473 2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.799 -6.497 1.525 1.00 0.00 H new ATOM 1284 N PRO A 78 7.997 -12.406 1.016 1.00 0.00 N ATOM 1285 CA PRO A 78 9.216 -13.086 1.465 1.00 0.00 C ATOM 1286 C PRO A 78 10.432 -12.165 1.451 1.00 0.00 C ATOM 1287 O PRO A 78 10.383 -11.066 0.900 1.00 0.00 O ATOM 1288 CB PRO A 78 9.389 -14.215 0.446 1.00 0.00 C ATOM 1289 CG PRO A 78 8.693 -13.729 -0.779 1.00 0.00 C ATOM 1290 CD PRO A 78 7.540 -12.894 -0.296 1.00 0.00 C ATOM 0 HA PRO A 78 9.133 -13.432 2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.443 -14.414 0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.951 -15.145 0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.366 -13.141 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.343 -14.564 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.326 -12.071 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.626 -13.482 -0.210 1.00 0.00 H new ATOM 1298 N ALA A 79 11.521 -12.622 2.061 1.00 0.00 N ATOM 1299 CA ALA A 79 12.750 -11.840 2.116 1.00 0.00 C ATOM 1300 C ALA A 79 13.930 -12.702 2.552 1.00 0.00 C ATOM 1301 O ALA A 79 13.802 -13.541 3.444 1.00 0.00 O ATOM 1302 CB ALA A 79 12.581 -10.657 3.059 1.00 0.00 C ATOM 0 H ALA A 79 11.577 -13.529 2.524 1.00 0.00 H new ATOM 0 HA ALA A 79 12.958 -11.465 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.506 -10.082 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.770 -10.021 2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.345 -11.020 4.059 1.00 0.00 H new ATOM 1308 N LEU A 80 15.077 -12.489 1.917 1.00 0.00 N ATOM 1309 CA LEU A 80 16.281 -13.248 2.239 1.00 0.00 C ATOM 1310 C LEU A 80 17.251 -12.407 3.063 1.00 0.00 C ATOM 1311 O LEU A 80 18.171 -12.935 3.687 1.00 0.00 O ATOM 1312 CB LEU A 80 16.965 -13.725 0.957 1.00 0.00 C ATOM 1313 CG LEU A 80 18.203 -14.602 1.143 1.00 0.00 C ATOM 1314 CD1 LEU A 80 18.354 -15.567 -0.022 1.00 0.00 C ATOM 1315 CD2 LEU A 80 19.449 -13.741 1.290 1.00 0.00 C ATOM 0 H LEU A 80 15.199 -11.798 1.177 1.00 0.00 H new ATOM 0 HA LEU A 80 15.987 -14.115 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.237 -14.280 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.249 -12.849 0.373 1.00 0.00 H new ATOM 0 HG LEU A 80 18.078 -15.184 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.241 -16.183 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.474 -16.207 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.456 -15.004 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.321 -14.382 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.578 -13.132 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.342 -13.091 2.159 1.00 0.00 H new ATOM 1327 N ARG A 81 17.036 -11.095 3.062 1.00 0.00 N ATOM 1328 CA ARG A 81 17.890 -10.181 3.811 1.00 0.00 C ATOM 1329 C ARG A 81 17.069 -9.347 4.790 1.00 0.00 C ATOM 1330 O ARG A 81 15.848 -9.483 4.865 1.00 0.00 O ATOM 1331 CB ARG A 81 18.650 -9.260 2.853 1.00 0.00 C ATOM 1332 CG ARG A 81 19.992 -9.818 2.409 1.00 0.00 C ATOM 1333 CD ARG A 81 21.098 -9.456 3.388 1.00 0.00 C ATOM 1334 NE ARG A 81 22.175 -10.442 3.386 1.00 0.00 N ATOM 1335 CZ ARG A 81 23.042 -10.585 4.382 1.00 0.00 C ATOM 1336 NH1 ARG A 81 22.959 -9.810 5.455 1.00 0.00 N ATOM 1337 NH2 ARG A 81 23.995 -11.506 4.307 1.00 0.00 N ATOM 0 H ARG A 81 16.278 -10.642 2.551 1.00 0.00 H new ATOM 0 HA ARG A 81 18.606 -10.776 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.033 -9.076 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.809 -8.297 3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.925 -10.902 2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.239 -9.431 1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 81 21.503 -8.477 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 81 20.681 -9.376 4.392 1.00 0.00 H new ATOM 0 HE ARG A 81 22.267 -11.054 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 81 22.228 -9.102 5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 81 23.626 -9.922 6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 81 24.062 -12.105 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 81 24.660 -11.615 5.072 1.00 0.00 H new ATOM 1351 N LYS A 82 17.747 -8.485 5.539 1.00 0.00 N ATOM 1352 CA LYS A 82 17.082 -7.628 6.514 1.00 0.00 C ATOM 1353 C LYS A 82 17.888 -6.357 6.761 1.00 0.00 C ATOM 1354 O LYS A 82 18.918 -6.386 7.433 1.00 0.00 O ATOM 1355 CB LYS A 82 16.880 -8.381 7.831 1.00 0.00 C ATOM 1356 CG LYS A 82 16.120 -7.583 8.877 1.00 0.00 C ATOM 1357 CD LYS A 82 14.618 -7.738 8.712 1.00 0.00 C ATOM 1358 CE LYS A 82 13.857 -6.845 9.681 1.00 0.00 C ATOM 1359 NZ LYS A 82 14.039 -7.279 11.094 1.00 0.00 N ATOM 0 H LYS A 82 18.758 -8.361 5.490 1.00 0.00 H new ATOM 0 HA LYS A 82 16.109 -7.347 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.342 -9.308 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.854 -8.658 8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.414 -7.914 9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.389 -6.530 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.336 -7.491 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.338 -8.778 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.198 -5.816 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.796 -6.858 9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.452 -6.688 11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.754 -8.274 11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.039 -7.178 11.362 1.00 0.00 H new ATOM 1373 N GLU A 83 17.411 -5.244 6.213 1.00 0.00 N ATOM 1374 CA GLU A 83 18.088 -3.962 6.376 1.00 0.00 C ATOM 1375 C GLU A 83 17.092 -2.862 6.731 1.00 0.00 C ATOM 1376 O GLU A 83 15.886 -3.098 6.795 1.00 0.00 O ATOM 1377 CB GLU A 83 18.839 -3.591 5.095 1.00 0.00 C ATOM 1378 CG GLU A 83 17.936 -3.437 3.883 1.00 0.00 C ATOM 1379 CD GLU A 83 18.609 -2.695 2.745 1.00 0.00 C ATOM 1380 OE1 GLU A 83 19.064 -1.554 2.966 1.00 0.00 O ATOM 1381 OE2 GLU A 83 18.682 -3.258 1.632 1.00 0.00 O ATOM 0 H GLU A 83 16.559 -5.204 5.653 1.00 0.00 H new ATOM 0 HA GLU A 83 18.803 -4.059 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.378 -2.657 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 83 19.585 -4.358 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.628 -4.423 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.031 -2.904 4.174 1.00 0.00 H new ATOM 1388 N GLY A 84 17.607 -1.658 6.963 1.00 0.00 N ATOM 1389 CA GLY A 84 16.750 -0.539 7.311 1.00 0.00 C ATOM 1390 C GLY A 84 17.428 0.799 7.093 1.00 0.00 C ATOM 1391 O GLY A 84 18.242 0.950 6.181 1.00 0.00 O ATOM 0 H GLY A 84 18.602 -1.438 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.839 -0.583 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.451 -0.625 8.356 1.00 0.00 H new ATOM 1395 N LEU A 85 17.090 1.774 7.930 1.00 0.00 N ATOM 1396 CA LEU A 85 17.671 3.108 7.824 1.00 0.00 C ATOM 1397 C LEU A 85 18.878 3.251 8.745 1.00 0.00 C ATOM 1398 O LEU A 85 18.850 2.815 9.896 1.00 0.00 O ATOM 1399 CB LEU A 85 16.624 4.170 8.167 1.00 0.00 C ATOM 1400 CG LEU A 85 15.679 4.571 7.034 1.00 0.00 C ATOM 1401 CD1 LEU A 85 14.578 5.482 7.555 1.00 0.00 C ATOM 1402 CD2 LEU A 85 16.450 5.251 5.912 1.00 0.00 C ATOM 0 H LEU A 85 16.417 1.666 8.689 1.00 0.00 H new ATOM 0 HA LEU A 85 18.003 3.253 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 85 16.025 3.805 9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 85 17.142 5.064 8.514 1.00 0.00 H new ATOM 0 HG LEU A 85 15.217 3.668 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.915 5.757 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.007 4.960 8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 85 15.022 6.382 7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.761 5.530 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.940 6.145 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.202 4.566 5.520 1.00 0.00 H new ATOM 1414 N LYS A 86 19.938 3.867 8.232 1.00 0.00 N ATOM 1415 CA LYS A 86 21.155 4.072 9.008 1.00 0.00 C ATOM 1416 C LYS A 86 21.855 5.362 8.592 1.00 0.00 C ATOM 1417 O LYS A 86 21.770 5.780 7.437 1.00 0.00 O ATOM 1418 CB LYS A 86 22.103 2.884 8.831 1.00 0.00 C ATOM 1419 CG LYS A 86 22.790 2.851 7.477 1.00 0.00 C ATOM 1420 CD LYS A 86 24.110 2.100 7.539 1.00 0.00 C ATOM 1421 CE LYS A 86 24.590 1.701 6.153 1.00 0.00 C ATOM 1422 NZ LYS A 86 25.919 1.030 6.198 1.00 0.00 N ATOM 0 H LYS A 86 19.978 4.233 7.281 1.00 0.00 H new ATOM 0 HA LYS A 86 20.877 4.153 10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 86 22.861 2.915 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 86 21.543 1.959 8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 86 22.134 2.376 6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 86 22.966 3.870 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 86 24.863 2.725 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 86 23.994 1.209 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 86 23.861 1.033 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 86 24.652 2.587 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 26.211 0.774 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 26.621 1.677 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 25.854 0.171 6.780 1.00 0.00 H new ATOM 1436 N ASP A 87 22.548 5.985 9.538 1.00 0.00 N ATOM 1437 CA ASP A 87 23.265 7.226 9.269 1.00 0.00 C ATOM 1438 C ASP A 87 24.621 7.232 9.968 1.00 0.00 C ATOM 1439 O ASP A 87 24.835 6.501 10.934 1.00 0.00 O ATOM 1440 CB ASP A 87 22.437 8.428 9.725 1.00 0.00 C ATOM 1441 CG ASP A 87 22.846 9.711 9.028 1.00 0.00 C ATOM 1442 OD1 ASP A 87 23.394 9.629 7.908 1.00 0.00 O ATOM 1443 OD2 ASP A 87 22.617 10.796 9.601 1.00 0.00 O ATOM 0 H ASP A 87 22.629 5.651 10.498 1.00 0.00 H new ATOM 0 HA ASP A 87 23.430 7.296 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 87 21.382 8.233 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 87 22.546 8.553 10.802 1.00 0.00 H new ATOM 1448 N GLU A 88 25.533 8.062 9.471 1.00 0.00 N ATOM 1449 CA GLU A 88 26.869 8.161 10.047 1.00 0.00 C ATOM 1450 C GLU A 88 26.845 8.968 11.342 1.00 0.00 C ATOM 1451 O GLU A 88 26.846 10.198 11.318 1.00 0.00 O ATOM 1452 CB GLU A 88 27.833 8.807 9.049 1.00 0.00 C ATOM 1453 CG GLU A 88 28.489 7.813 8.106 1.00 0.00 C ATOM 1454 CD GLU A 88 29.583 7.006 8.778 1.00 0.00 C ATOM 1455 OE1 GLU A 88 29.274 6.274 9.741 1.00 0.00 O ATOM 1456 OE2 GLU A 88 30.748 7.107 8.339 1.00 0.00 O ATOM 0 H GLU A 88 25.371 8.675 8.672 1.00 0.00 H new ATOM 0 HA GLU A 88 27.214 7.152 10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 88 27.292 9.549 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 88 28.609 9.340 9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 88 27.731 7.135 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 88 28.909 8.348 7.254 1.00 0.00 H new TER 1463 GLU A 88