USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 799 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 8 SER OG : rot 180:sc= 0.233 USER MOD Set 1.2: A 10 SER OG : rot -93:sc= 0.253 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0782 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.368 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -1.17 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -0.161 F(o=-0.97,f=-0.16) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.988! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -73:sc= -1.26! USER MOD Single : A 39 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.025) USER MOD Single : A 47 CYS SG : rot -80:sc= -0.14 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.613 USER MOD Single : A 64 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.5!) USER MOD Single : A 68 CYS SG : rot 100:sc= -0.942 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 145:sc= -0.441 (180deg=-2.16!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -129:sc= -5.88! (180deg=-6.09!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.23) USER MOD Single : A 104 ASN : amide:sc= -0.0334 K(o=-0.033,f=-3!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.822 8.401 -24.679 1.00 0.00 N ATOM 2 CA GLY A 1 14.780 9.755 -25.204 1.00 0.00 C ATOM 3 C GLY A 1 14.271 10.737 -24.147 1.00 0.00 C ATOM 4 O GLY A 1 13.601 10.339 -23.195 1.00 0.00 O ATOM 0 H1 GLY A 1 15.811 8.093 -24.592 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.369 8.377 -23.743 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.316 7.762 -25.325 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.776 10.053 -25.533 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.132 9.789 -26.080 1.00 0.00 H new ATOM 8 N SER A 2 14.609 12.002 -24.349 1.00 0.00 N ATOM 9 CA SER A 2 14.195 13.045 -23.425 1.00 0.00 C ATOM 10 C SER A 2 13.122 13.922 -24.073 1.00 0.00 C ATOM 11 O SER A 2 13.349 14.507 -25.131 1.00 0.00 O ATOM 12 CB SER A 2 15.387 13.899 -22.988 1.00 0.00 C ATOM 13 OG SER A 2 15.959 14.615 -24.079 1.00 0.00 O ATOM 0 H SER A 2 15.165 12.329 -25.139 1.00 0.00 H new ATOM 0 HA SER A 2 13.779 12.570 -22.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.066 14.603 -22.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.145 13.259 -22.537 1.00 0.00 H new ATOM 0 HG SER A 2 15.262 14.819 -24.737 1.00 0.00 H new ATOM 19 N SER A 3 11.976 13.987 -23.410 1.00 0.00 N ATOM 20 CA SER A 3 10.868 14.783 -23.909 1.00 0.00 C ATOM 21 C SER A 3 10.117 15.424 -22.740 1.00 0.00 C ATOM 22 O SER A 3 10.118 14.892 -21.631 1.00 0.00 O ATOM 23 CB SER A 3 9.914 13.934 -24.751 1.00 0.00 C ATOM 24 OG SER A 3 9.804 14.418 -26.086 1.00 0.00 O ATOM 0 H SER A 3 11.791 13.502 -22.532 1.00 0.00 H new ATOM 0 HA SER A 3 11.272 15.568 -24.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.266 12.902 -24.767 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.928 13.927 -24.286 1.00 0.00 H new ATOM 0 HG SER A 3 9.187 13.848 -26.591 1.00 0.00 H new ATOM 30 N GLY A 4 9.495 16.558 -23.028 1.00 0.00 N ATOM 31 CA GLY A 4 8.742 17.277 -22.015 1.00 0.00 C ATOM 32 C GLY A 4 7.240 17.220 -22.304 1.00 0.00 C ATOM 33 O GLY A 4 6.772 16.321 -23.001 1.00 0.00 O ATOM 0 H GLY A 4 9.497 16.997 -23.949 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.944 16.847 -21.034 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.070 18.316 -21.982 1.00 0.00 H new ATOM 37 N SER A 5 6.527 18.192 -21.754 1.00 0.00 N ATOM 38 CA SER A 5 5.088 18.264 -21.944 1.00 0.00 C ATOM 39 C SER A 5 4.523 19.479 -21.206 1.00 0.00 C ATOM 40 O SER A 5 4.531 19.521 -19.976 1.00 0.00 O ATOM 41 CB SER A 5 4.404 16.983 -21.462 1.00 0.00 C ATOM 42 OG SER A 5 3.648 16.360 -22.497 1.00 0.00 O ATOM 0 H SER A 5 6.919 18.936 -21.177 1.00 0.00 H new ATOM 0 HA SER A 5 4.888 18.370 -23.010 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.157 16.286 -21.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.748 17.216 -20.623 1.00 0.00 H new ATOM 0 HG SER A 5 3.228 15.545 -22.150 1.00 0.00 H new ATOM 48 N SER A 6 4.045 20.437 -21.986 1.00 0.00 N ATOM 49 CA SER A 6 3.477 21.649 -21.421 1.00 0.00 C ATOM 50 C SER A 6 1.950 21.557 -21.414 1.00 0.00 C ATOM 51 O SER A 6 1.352 21.032 -22.352 1.00 0.00 O ATOM 52 CB SER A 6 3.931 22.885 -22.201 1.00 0.00 C ATOM 53 OG SER A 6 4.664 23.792 -21.383 1.00 0.00 O ATOM 0 H SER A 6 4.039 20.398 -23.005 1.00 0.00 H new ATOM 0 HA SER A 6 3.833 21.748 -20.396 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.550 22.575 -23.043 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.060 23.393 -22.615 1.00 0.00 H new ATOM 0 HG SER A 6 4.938 24.567 -21.917 1.00 0.00 H new ATOM 59 N GLY A 7 1.363 22.075 -20.346 1.00 0.00 N ATOM 60 CA GLY A 7 -0.083 22.058 -20.204 1.00 0.00 C ATOM 61 C GLY A 7 -0.542 23.061 -19.145 1.00 0.00 C ATOM 62 O GLY A 7 0.188 23.992 -18.808 1.00 0.00 O ATOM 0 H GLY A 7 1.863 22.509 -19.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.549 22.295 -21.161 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.413 21.056 -19.929 1.00 0.00 H new ATOM 66 N SER A 8 -1.750 22.838 -18.648 1.00 0.00 N ATOM 67 CA SER A 8 -2.315 23.712 -17.633 1.00 0.00 C ATOM 68 C SER A 8 -1.734 23.364 -16.261 1.00 0.00 C ATOM 69 O SER A 8 -1.261 22.249 -16.048 1.00 0.00 O ATOM 70 CB SER A 8 -3.842 23.608 -17.605 1.00 0.00 C ATOM 71 OG SER A 8 -4.283 22.396 -17.001 1.00 0.00 O ATOM 0 H SER A 8 -2.353 22.065 -18.929 1.00 0.00 H new ATOM 0 HA SER A 8 -2.052 24.740 -17.882 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.253 24.456 -17.058 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.228 23.667 -18.623 1.00 0.00 H new ATOM 0 HG SER A 8 -5.263 22.368 -17.001 1.00 0.00 H new ATOM 77 N ALA A 9 -1.790 24.340 -15.367 1.00 0.00 N ATOM 78 CA ALA A 9 -1.275 24.151 -14.021 1.00 0.00 C ATOM 79 C ALA A 9 -2.269 23.316 -13.212 1.00 0.00 C ATOM 80 O ALA A 9 -3.169 23.860 -12.575 1.00 0.00 O ATOM 81 CB ALA A 9 -1.004 25.515 -13.382 1.00 0.00 C ATOM 0 H ALA A 9 -2.184 25.263 -15.548 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.330 23.608 -14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.618 25.374 -12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.270 26.057 -13.979 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.931 26.087 -13.339 1.00 0.00 H new ATOM 87 N SER A 10 -2.072 22.006 -13.264 1.00 0.00 N ATOM 88 CA SER A 10 -2.940 21.090 -12.543 1.00 0.00 C ATOM 89 C SER A 10 -2.368 19.672 -12.603 1.00 0.00 C ATOM 90 O SER A 10 -1.709 19.305 -13.574 1.00 0.00 O ATOM 91 CB SER A 10 -4.360 21.114 -13.113 1.00 0.00 C ATOM 92 OG SER A 10 -4.386 20.774 -14.496 1.00 0.00 O ATOM 0 H SER A 10 -1.325 21.558 -13.794 1.00 0.00 H new ATOM 0 HA SER A 10 -2.989 21.412 -11.503 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.986 20.416 -12.556 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.789 22.107 -12.976 1.00 0.00 H new ATOM 0 HG SER A 10 -4.334 21.591 -15.035 1.00 0.00 H new ATOM 98 N LYS A 11 -2.641 18.914 -11.551 1.00 0.00 N ATOM 99 CA LYS A 11 -2.163 17.544 -11.472 1.00 0.00 C ATOM 100 C LYS A 11 -2.908 16.687 -12.497 1.00 0.00 C ATOM 101 O LYS A 11 -4.025 17.018 -12.892 1.00 0.00 O ATOM 102 CB LYS A 11 -2.271 17.021 -10.038 1.00 0.00 C ATOM 103 CG LYS A 11 -1.236 17.690 -9.131 1.00 0.00 C ATOM 104 CD LYS A 11 -0.651 16.687 -8.135 1.00 0.00 C ATOM 105 CE LYS A 11 0.088 17.405 -7.003 1.00 0.00 C ATOM 106 NZ LYS A 11 0.626 16.426 -6.032 1.00 0.00 N ATOM 0 H LYS A 11 -3.187 19.222 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.104 17.495 -11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.273 17.209 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.124 15.941 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.436 18.115 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.700 18.516 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.450 16.073 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.033 16.014 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.901 18.003 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.590 18.093 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.124 16.930 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.156 15.873 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.289 15.786 -6.515 1.00 0.00 H new ATOM 120 N ARG A 12 -2.260 15.603 -12.898 1.00 0.00 N ATOM 121 CA ARG A 12 -2.848 14.697 -13.869 1.00 0.00 C ATOM 122 C ARG A 12 -2.582 13.244 -13.468 1.00 0.00 C ATOM 123 O ARG A 12 -1.433 12.851 -13.273 1.00 0.00 O ATOM 124 CB ARG A 12 -2.280 14.945 -15.268 1.00 0.00 C ATOM 125 CG ARG A 12 -0.785 14.624 -15.318 1.00 0.00 C ATOM 126 CD ARG A 12 -0.015 15.712 -16.069 1.00 0.00 C ATOM 127 NE ARG A 12 1.130 15.115 -16.791 1.00 0.00 N ATOM 128 CZ ARG A 12 1.785 15.720 -17.792 1.00 0.00 C ATOM 129 NH1 ARG A 12 1.411 16.941 -18.196 1.00 0.00 N ATOM 130 NH2 ARG A 12 2.813 15.102 -18.389 1.00 0.00 N ATOM 0 H ARG A 12 -1.334 15.332 -12.568 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.922 14.882 -13.887 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.812 14.331 -15.994 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.442 15.985 -15.551 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.395 14.532 -14.304 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.632 13.662 -15.807 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.676 16.217 -16.773 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.340 16.467 -15.368 1.00 0.00 H new ATOM 0 HE ARG A 12 1.440 14.185 -16.510 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.628 17.411 -17.742 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.910 17.401 -18.958 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.097 14.172 -18.082 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.312 15.562 -19.151 1.00 0.00 H new ATOM 144 N TRP A 13 -3.663 12.487 -13.358 1.00 0.00 N ATOM 145 CA TRP A 13 -3.561 11.086 -12.984 1.00 0.00 C ATOM 146 C TRP A 13 -3.994 10.243 -14.186 1.00 0.00 C ATOM 147 O TRP A 13 -5.065 10.463 -14.749 1.00 0.00 O ATOM 148 CB TRP A 13 -4.378 10.794 -11.724 1.00 0.00 C ATOM 149 CG TRP A 13 -3.781 11.384 -10.445 1.00 0.00 C ATOM 150 CD1 TRP A 13 -3.682 12.675 -10.100 1.00 0.00 C ATOM 151 CD2 TRP A 13 -3.202 10.648 -9.347 1.00 0.00 C ATOM 152 NE1 TRP A 13 -3.083 12.824 -8.865 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.782 11.552 -8.393 1.00 0.00 C ATOM 154 CE3 TRP A 13 -3.038 9.263 -9.166 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -2.171 11.171 -7.192 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -2.426 8.899 -7.961 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.998 9.797 -6.991 1.00 0.00 C ATOM 0 H TRP A 13 -4.614 12.817 -13.521 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.533 10.828 -12.730 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -5.386 11.187 -11.857 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.470 9.714 -11.605 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.027 13.496 -10.711 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.896 13.705 -8.387 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -3.359 8.538 -9.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.851 11.898 -6.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.276 7.846 -7.772 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.534 9.436 -6.085 1.00 0.00 H new ATOM 168 N SER A 14 -3.138 9.297 -14.543 1.00 0.00 N ATOM 169 CA SER A 14 -3.418 8.420 -15.667 1.00 0.00 C ATOM 170 C SER A 14 -4.653 7.567 -15.370 1.00 0.00 C ATOM 171 O SER A 14 -5.264 7.700 -14.311 1.00 0.00 O ATOM 172 CB SER A 14 -2.217 7.525 -15.980 1.00 0.00 C ATOM 173 OG SER A 14 -2.406 6.194 -15.508 1.00 0.00 O ATOM 0 H SER A 14 -2.250 9.119 -14.074 1.00 0.00 H new ATOM 0 HA SER A 14 -3.614 9.038 -16.543 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.049 7.507 -17.057 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.321 7.948 -15.524 1.00 0.00 H new ATOM 0 HG SER A 14 -1.619 5.654 -15.729 1.00 0.00 H new ATOM 179 N PRO A 15 -4.992 6.686 -16.349 1.00 0.00 N ATOM 180 CA PRO A 15 -6.143 5.811 -16.204 1.00 0.00 C ATOM 181 C PRO A 15 -5.843 4.668 -15.232 1.00 0.00 C ATOM 182 O PRO A 15 -4.708 4.201 -15.149 1.00 0.00 O ATOM 183 CB PRO A 15 -6.451 5.329 -17.612 1.00 0.00 C ATOM 184 CG PRO A 15 -5.190 5.576 -18.423 1.00 0.00 C ATOM 185 CD PRO A 15 -4.291 6.501 -17.617 1.00 0.00 C ATOM 0 HA PRO A 15 -7.006 6.319 -15.774 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.715 4.272 -17.614 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.298 5.870 -18.033 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.680 4.635 -18.632 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.437 6.026 -19.385 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.305 6.061 -17.464 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.140 7.452 -18.129 1.00 0.00 H new ATOM 193 N PRO A 16 -6.908 4.240 -14.502 1.00 0.00 N ATOM 194 CA PRO A 16 -6.770 3.160 -13.540 1.00 0.00 C ATOM 195 C PRO A 16 -6.664 1.807 -14.245 1.00 0.00 C ATOM 196 O PRO A 16 -7.338 1.571 -15.247 1.00 0.00 O ATOM 197 CB PRO A 16 -7.994 3.271 -12.646 1.00 0.00 C ATOM 198 CG PRO A 16 -9.000 4.108 -13.419 1.00 0.00 C ATOM 199 CD PRO A 16 -8.266 4.770 -14.574 1.00 0.00 C ATOM 0 HA PRO A 16 -5.856 3.235 -12.951 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.400 2.286 -12.416 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.742 3.742 -11.696 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.811 3.482 -13.791 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.449 4.860 -12.771 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.734 4.532 -15.529 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.273 5.856 -14.478 1.00 0.00 H new ATOM 207 N ARG A 17 -5.815 0.953 -13.694 1.00 0.00 N ATOM 208 CA ARG A 17 -5.613 -0.371 -14.258 1.00 0.00 C ATOM 209 C ARG A 17 -6.564 -1.376 -13.606 1.00 0.00 C ATOM 210 O ARG A 17 -7.021 -1.166 -12.483 1.00 0.00 O ATOM 211 CB ARG A 17 -4.170 -0.841 -14.058 1.00 0.00 C ATOM 212 CG ARG A 17 -3.792 -0.835 -12.575 1.00 0.00 C ATOM 213 CD ARG A 17 -2.473 -1.574 -12.343 1.00 0.00 C ATOM 214 NE ARG A 17 -1.333 -0.689 -12.669 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.076 -1.118 -12.850 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.209 -2.423 -12.737 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.895 -0.243 -13.144 1.00 0.00 N ATOM 0 H ARG A 17 -5.259 1.152 -12.863 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.819 -0.311 -15.327 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.052 -1.846 -14.463 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.492 -0.192 -14.612 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.704 0.193 -12.223 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.584 -1.305 -11.992 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.406 -1.899 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.436 -2.471 -12.961 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.515 0.310 -12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.530 -3.089 -12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.165 -2.750 -12.875 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.678 0.750 -13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.851 -0.570 -13.282 1.00 0.00 H new ATOM 231 N GLY A 18 -6.835 -2.447 -14.338 1.00 0.00 N ATOM 232 CA GLY A 18 -7.724 -3.486 -13.845 1.00 0.00 C ATOM 233 C GLY A 18 -6.935 -4.724 -13.416 1.00 0.00 C ATOM 234 O GLY A 18 -6.444 -5.475 -14.258 1.00 0.00 O ATOM 0 H GLY A 18 -6.455 -2.618 -15.269 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.300 -3.107 -13.001 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.439 -3.757 -14.622 1.00 0.00 H new ATOM 238 N ILE A 19 -6.836 -4.899 -12.106 1.00 0.00 N ATOM 239 CA ILE A 19 -6.115 -6.034 -11.555 1.00 0.00 C ATOM 240 C ILE A 19 -7.115 -7.114 -11.137 1.00 0.00 C ATOM 241 O ILE A 19 -8.261 -6.811 -10.807 1.00 0.00 O ATOM 242 CB ILE A 19 -5.190 -5.582 -10.423 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.392 -4.342 -10.829 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.281 -6.726 -9.968 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.334 -4.002 -9.777 1.00 0.00 C ATOM 0 H ILE A 19 -7.243 -4.274 -11.410 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.465 -6.476 -12.310 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.807 -5.302 -9.569 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.911 -4.514 -11.792 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.068 -3.496 -10.957 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.634 -6.378 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.891 -7.555 -9.610 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.670 -7.060 -10.806 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.781 -3.117 -10.090 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.821 -3.807 -8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.646 -4.840 -9.669 1.00 0.00 H new ATOM 257 N HIS A 20 -6.646 -8.353 -11.167 1.00 0.00 N ATOM 258 CA HIS A 20 -7.485 -9.480 -10.795 1.00 0.00 C ATOM 259 C HIS A 20 -6.662 -10.490 -9.994 1.00 0.00 C ATOM 260 O HIS A 20 -5.768 -11.138 -10.537 1.00 0.00 O ATOM 261 CB HIS A 20 -8.142 -10.098 -12.031 1.00 0.00 C ATOM 262 CG HIS A 20 -7.281 -10.055 -13.271 1.00 0.00 C ATOM 263 ND1 HIS A 20 -5.926 -10.104 -13.417 1.00 0.00 N flip ATOM 264 CD2 HIS A 20 -7.808 -9.950 -14.546 1.00 0.00 C flip ATOM 265 CE1 HIS A 20 -5.641 -10.034 -14.711 1.00 0.00 C flip ATOM 266 NE2 HIS A 20 -6.806 -9.938 -15.413 1.00 0.00 N flip ATOM 0 H HIS A 20 -5.696 -8.601 -11.443 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.298 -9.138 -10.155 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.397 -11.135 -11.814 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.077 -9.575 -12.232 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.247 -10.181 -12.660 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.858 -9.888 -14.793 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.649 -10.050 -15.138 1.00 0.00 H new ATOM 274 N PHE A 21 -6.993 -10.593 -8.715 1.00 0.00 N ATOM 275 CA PHE A 21 -6.295 -11.513 -7.833 1.00 0.00 C ATOM 276 C PHE A 21 -7.183 -11.925 -6.657 1.00 0.00 C ATOM 277 O PHE A 21 -8.298 -11.426 -6.512 1.00 0.00 O ATOM 278 CB PHE A 21 -5.067 -10.775 -7.296 1.00 0.00 C ATOM 279 CG PHE A 21 -5.402 -9.566 -6.421 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.809 -8.402 -6.995 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.292 -9.655 -5.068 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.120 -7.280 -6.182 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.602 -8.533 -4.255 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.010 -7.369 -4.829 1.00 0.00 C ATOM 0 H PHE A 21 -7.735 -10.054 -8.268 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.020 -12.415 -8.379 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.461 -11.472 -6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.458 -10.444 -8.137 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.896 -8.331 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.969 -10.579 -4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.444 -6.356 -6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.514 -8.604 -3.181 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.247 -6.516 -4.211 1.00 0.00 H new ATOM 294 N THR A 22 -6.655 -12.830 -5.847 1.00 0.00 N ATOM 295 CA THR A 22 -7.385 -13.314 -4.688 1.00 0.00 C ATOM 296 C THR A 22 -6.696 -12.866 -3.398 1.00 0.00 C ATOM 297 O THR A 22 -5.519 -13.152 -3.186 1.00 0.00 O ATOM 298 CB THR A 22 -7.514 -14.834 -4.811 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.648 -15.019 -5.655 1.00 0.00 O ATOM 300 CG2 THR A 22 -7.920 -15.496 -3.492 1.00 0.00 C ATOM 0 H THR A 22 -5.730 -13.241 -5.970 1.00 0.00 H new ATOM 0 HA THR A 22 -8.388 -12.890 -4.648 1.00 0.00 H new ATOM 0 HB THR A 22 -6.566 -15.252 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.803 -15.977 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.997 -16.574 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.168 -15.284 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.884 -15.103 -3.169 1.00 0.00 H new ATOM 308 N VAL A 23 -7.460 -12.169 -2.568 1.00 0.00 N ATOM 309 CA VAL A 23 -6.937 -11.678 -1.304 1.00 0.00 C ATOM 310 C VAL A 23 -6.547 -12.866 -0.422 1.00 0.00 C ATOM 311 O VAL A 23 -7.343 -13.783 -0.222 1.00 0.00 O ATOM 312 CB VAL A 23 -7.958 -10.751 -0.641 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.479 -10.309 0.743 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.258 -9.542 -1.529 1.00 0.00 C ATOM 0 H VAL A 23 -8.436 -11.933 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.037 -11.085 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.885 -11.310 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.223 -9.651 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.339 -11.185 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.533 -9.776 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.986 -8.899 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.339 -8.982 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.662 -9.882 -2.482 1.00 0.00 H new ATOM 324 N GLU A 24 -5.323 -12.811 0.081 1.00 0.00 N ATOM 325 CA GLU A 24 -4.818 -13.872 0.937 1.00 0.00 C ATOM 326 C GLU A 24 -5.321 -13.682 2.370 1.00 0.00 C ATOM 327 O GLU A 24 -5.062 -14.514 3.237 1.00 0.00 O ATOM 328 CB GLU A 24 -3.290 -13.929 0.895 1.00 0.00 C ATOM 329 CG GLU A 24 -2.808 -15.073 0.001 1.00 0.00 C ATOM 330 CD GLU A 24 -3.349 -14.922 -1.422 1.00 0.00 C ATOM 331 OE1 GLU A 24 -3.528 -13.758 -1.840 1.00 0.00 O ATOM 332 OE2 GLU A 24 -3.571 -15.974 -2.059 1.00 0.00 O ATOM 0 H GLU A 24 -4.666 -12.049 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.195 -14.824 0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.897 -12.982 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.900 -14.062 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.718 -15.088 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.132 -16.026 0.418 1.00 0.00 H new ATOM 339 N GLU A 25 -6.031 -12.582 2.573 1.00 0.00 N ATOM 340 CA GLU A 25 -6.572 -12.273 3.886 1.00 0.00 C ATOM 341 C GLU A 25 -5.665 -12.837 4.980 1.00 0.00 C ATOM 342 O GLU A 25 -6.110 -13.617 5.820 1.00 0.00 O ATOM 343 CB GLU A 25 -8.000 -12.804 4.029 1.00 0.00 C ATOM 344 CG GLU A 25 -8.098 -14.250 3.538 1.00 0.00 C ATOM 345 CD GLU A 25 -9.246 -14.987 4.231 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.402 -14.762 3.810 1.00 0.00 O ATOM 347 OE2 GLU A 25 -8.942 -15.759 5.166 1.00 0.00 O ATOM 0 H GLU A 25 -6.244 -11.894 1.851 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.610 -11.189 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.310 -12.749 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.685 -12.175 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.252 -14.262 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.159 -14.768 3.732 1.00 0.00 H new ATOM 354 N GLY A 26 -4.408 -12.420 4.936 1.00 0.00 N ATOM 355 CA GLY A 26 -3.433 -12.874 5.914 1.00 0.00 C ATOM 356 C GLY A 26 -2.239 -13.541 5.229 1.00 0.00 C ATOM 357 O GLY A 26 -1.791 -14.606 5.651 1.00 0.00 O ATOM 0 H GLY A 26 -4.042 -11.772 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.089 -12.028 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.903 -13.578 6.601 1.00 0.00 H new ATOM 361 N ASP A 27 -1.756 -12.886 4.183 1.00 0.00 N ATOM 362 CA ASP A 27 -0.622 -13.402 3.435 1.00 0.00 C ATOM 363 C ASP A 27 -0.395 -12.533 2.197 1.00 0.00 C ATOM 364 O ASP A 27 -0.102 -13.047 1.119 1.00 0.00 O ATOM 365 CB ASP A 27 -0.878 -14.836 2.966 1.00 0.00 C ATOM 366 CG ASP A 27 0.256 -15.822 3.252 1.00 0.00 C ATOM 367 OD1 ASP A 27 1.081 -15.498 4.133 1.00 0.00 O ATOM 368 OD2 ASP A 27 0.272 -16.878 2.583 1.00 0.00 O ATOM 0 H ASP A 27 -2.129 -12.003 3.836 1.00 0.00 H new ATOM 0 HA ASP A 27 0.249 -13.387 4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.787 -15.202 3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.066 -14.823 1.892 1.00 0.00 H new ATOM 373 N LEU A 28 -0.539 -11.230 2.393 1.00 0.00 N ATOM 374 CA LEU A 28 -0.353 -10.285 1.306 1.00 0.00 C ATOM 375 C LEU A 28 1.144 -10.046 1.093 1.00 0.00 C ATOM 376 O LEU A 28 1.895 -9.898 2.056 1.00 0.00 O ATOM 377 CB LEU A 28 -1.148 -9.004 1.567 1.00 0.00 C ATOM 378 CG LEU A 28 -2.640 -9.188 1.852 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.246 -7.916 2.449 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.386 -9.642 0.595 1.00 0.00 C ATOM 0 H LEU A 28 -0.782 -10.807 3.289 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.747 -10.694 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.698 -8.486 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.041 -8.351 0.701 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.750 -9.977 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.307 -8.074 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.739 -7.676 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.124 -7.091 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.444 -9.765 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.270 -8.893 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.976 -10.592 0.252 1.00 0.00 H new ATOM 392 N GLY A 29 1.532 -10.016 -0.173 1.00 0.00 N ATOM 393 CA GLY A 29 2.925 -9.798 -0.524 1.00 0.00 C ATOM 394 C GLY A 29 3.217 -8.308 -0.708 1.00 0.00 C ATOM 395 O GLY A 29 4.022 -7.930 -1.557 1.00 0.00 O ATOM 0 H GLY A 29 0.906 -10.139 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.568 -10.205 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.160 -10.335 -1.443 1.00 0.00 H new ATOM 399 N PHE A 30 2.547 -7.502 0.103 1.00 0.00 N ATOM 400 CA PHE A 30 2.725 -6.061 0.040 1.00 0.00 C ATOM 401 C PHE A 30 2.035 -5.372 1.219 1.00 0.00 C ATOM 402 O PHE A 30 1.322 -6.015 1.988 1.00 0.00 O ATOM 403 CB PHE A 30 2.078 -5.587 -1.263 1.00 0.00 C ATOM 404 CG PHE A 30 0.557 -5.748 -1.297 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.242 -4.778 -0.777 1.00 0.00 C ATOM 406 CD2 PHE A 30 0.004 -6.862 -1.847 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.654 -4.929 -0.808 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.408 -7.013 -1.879 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.207 -6.043 -1.359 1.00 0.00 C ATOM 0 H PHE A 30 1.880 -7.819 0.807 1.00 0.00 H new ATOM 0 HA PHE A 30 3.786 -5.815 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.325 -4.537 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.511 -6.143 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.197 -3.893 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.639 -7.632 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.289 -4.159 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.847 -7.898 -2.316 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.281 -6.157 -1.384 1.00 0.00 H new ATOM 419 N THR A 31 2.272 -4.072 1.324 1.00 0.00 N ATOM 420 CA THR A 31 1.682 -3.289 2.397 1.00 0.00 C ATOM 421 C THR A 31 1.153 -1.959 1.856 1.00 0.00 C ATOM 422 O THR A 31 1.303 -1.662 0.672 1.00 0.00 O ATOM 423 CB THR A 31 2.734 -3.123 3.495 1.00 0.00 C ATOM 424 OG1 THR A 31 2.533 -1.796 3.972 1.00 0.00 O ATOM 425 CG2 THR A 31 4.161 -3.108 2.942 1.00 0.00 C ATOM 0 H THR A 31 2.864 -3.542 0.684 1.00 0.00 H new ATOM 0 HA THR A 31 0.819 -3.796 2.829 1.00 0.00 H new ATOM 0 HB THR A 31 2.633 -3.932 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.174 -1.605 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.868 -2.988 3.763 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.361 -4.047 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.272 -2.279 2.243 1.00 0.00 H new ATOM 433 N LEU A 32 0.545 -1.194 2.751 1.00 0.00 N ATOM 434 CA LEU A 32 -0.007 0.098 2.379 1.00 0.00 C ATOM 435 C LEU A 32 0.724 1.201 3.147 1.00 0.00 C ATOM 436 O LEU A 32 0.897 1.106 4.361 1.00 0.00 O ATOM 437 CB LEU A 32 -1.524 0.110 2.579 1.00 0.00 C ATOM 438 CG LEU A 32 -2.317 -0.911 1.762 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.821 -0.756 2.001 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.961 -0.821 0.277 1.00 0.00 C ATOM 0 H LEU A 32 0.422 -1.444 3.732 1.00 0.00 H new ATOM 0 HA LEU A 32 0.153 0.289 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.732 -0.059 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.894 1.106 2.337 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.038 -1.909 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.362 -1.494 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.039 -0.909 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.135 0.246 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.539 -1.558 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.193 0.178 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.897 -1.019 0.145 1.00 0.00 H new ATOM 452 N ARG A 33 1.133 2.222 2.408 1.00 0.00 N ATOM 453 CA ARG A 33 1.841 3.341 3.005 1.00 0.00 C ATOM 454 C ARG A 33 1.334 4.662 2.421 1.00 0.00 C ATOM 455 O ARG A 33 0.865 4.703 1.285 1.00 0.00 O ATOM 456 CB ARG A 33 3.348 3.230 2.764 1.00 0.00 C ATOM 457 CG ARG A 33 3.889 1.897 3.284 1.00 0.00 C ATOM 458 CD ARG A 33 5.162 2.105 4.107 1.00 0.00 C ATOM 459 NE ARG A 33 5.785 0.799 4.416 1.00 0.00 N ATOM 460 CZ ARG A 33 6.856 0.645 5.206 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.430 1.715 5.772 1.00 0.00 N ATOM 462 NH2 ARG A 33 7.354 -0.579 5.429 1.00 0.00 N ATOM 0 H ARG A 33 0.987 2.297 1.401 1.00 0.00 H new ATOM 0 HA ARG A 33 1.653 3.318 4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.557 3.321 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.861 4.054 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.132 1.407 3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.099 1.233 2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.864 2.730 3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.925 2.632 5.031 1.00 0.00 H new ATOM 0 HE ARG A 33 5.373 -0.037 4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.052 2.647 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.245 1.598 6.374 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.918 -1.394 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.169 -0.696 6.030 1.00 0.00 H new ATOM 476 N GLY A 34 1.445 5.708 3.225 1.00 0.00 N ATOM 477 CA GLY A 34 1.004 7.027 2.803 1.00 0.00 C ATOM 478 C GLY A 34 -0.444 7.282 3.225 1.00 0.00 C ATOM 479 O GLY A 34 -1.058 6.446 3.886 1.00 0.00 O ATOM 0 H GLY A 34 1.834 5.670 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.653 7.788 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.092 7.114 1.720 1.00 0.00 H new ATOM 483 N ASN A 35 -0.948 8.440 2.826 1.00 0.00 N ATOM 484 CA ASN A 35 -2.313 8.816 3.155 1.00 0.00 C ATOM 485 C ASN A 35 -3.263 8.237 2.105 1.00 0.00 C ATOM 486 O ASN A 35 -3.811 7.151 2.290 1.00 0.00 O ATOM 487 CB ASN A 35 -2.480 10.336 3.157 1.00 0.00 C ATOM 488 CG ASN A 35 -2.492 10.885 4.585 1.00 0.00 C ATOM 489 OD1 ASN A 35 -1.467 11.213 5.160 1.00 0.00 O ATOM 490 ND2 ASN A 35 -3.705 10.966 5.124 1.00 0.00 N ATOM 0 H ASN A 35 -0.436 9.131 2.278 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.540 8.427 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.668 10.795 2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.409 10.604 2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.818 11.320 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.522 10.674 4.587 1.00 0.00 H new ATOM 497 N THR A 36 -3.430 8.987 1.026 1.00 0.00 N ATOM 498 CA THR A 36 -4.305 8.562 -0.053 1.00 0.00 C ATOM 499 C THR A 36 -4.072 9.420 -1.298 1.00 0.00 C ATOM 500 O THR A 36 -3.900 10.634 -1.197 1.00 0.00 O ATOM 501 CB THR A 36 -5.746 8.612 0.458 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.490 7.905 -0.529 1.00 0.00 O ATOM 503 CG2 THR A 36 -6.331 10.026 0.424 1.00 0.00 C ATOM 0 H THR A 36 -2.974 9.887 0.876 1.00 0.00 H new ATOM 0 HA THR A 36 -4.088 7.538 -0.357 1.00 0.00 H new ATOM 0 HB THR A 36 -5.782 8.229 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.562 8.452 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.355 10.005 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.730 10.684 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.326 10.397 -0.601 1.00 0.00 H new ATOM 511 N PRO A 37 -4.074 8.739 -2.475 1.00 0.00 N ATOM 512 CA PRO A 37 -4.285 7.301 -2.507 1.00 0.00 C ATOM 513 C PRO A 37 -3.037 6.553 -2.036 1.00 0.00 C ATOM 514 O PRO A 37 -1.926 6.857 -2.469 1.00 0.00 O ATOM 515 CB PRO A 37 -4.656 6.990 -3.948 1.00 0.00 C ATOM 516 CG PRO A 37 -4.187 8.183 -4.766 1.00 0.00 C ATOM 517 CD PRO A 37 -3.876 9.316 -3.801 1.00 0.00 C ATOM 0 HA PRO A 37 -5.073 6.976 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.175 6.072 -4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.731 6.844 -4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.302 7.923 -5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.957 8.486 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.855 9.675 -3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.536 10.168 -3.965 1.00 0.00 H new ATOM 525 N VAL A 38 -3.261 5.589 -1.154 1.00 0.00 N ATOM 526 CA VAL A 38 -2.168 4.795 -0.620 1.00 0.00 C ATOM 527 C VAL A 38 -1.408 4.139 -1.774 1.00 0.00 C ATOM 528 O VAL A 38 -1.974 3.904 -2.841 1.00 0.00 O ATOM 529 CB VAL A 38 -2.703 3.784 0.396 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.328 4.493 1.599 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.704 2.829 -0.258 1.00 0.00 C ATOM 0 H VAL A 38 -4.183 5.340 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.461 5.429 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.861 3.193 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.700 3.751 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.576 5.113 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.154 5.120 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.070 2.120 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.542 3.399 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.214 2.287 -1.067 1.00 0.00 H new ATOM 541 N GLN A 39 -0.137 3.861 -1.522 1.00 0.00 N ATOM 542 CA GLN A 39 0.706 3.236 -2.526 1.00 0.00 C ATOM 543 C GLN A 39 0.846 1.738 -2.245 1.00 0.00 C ATOM 544 O GLN A 39 0.354 1.245 -1.231 1.00 0.00 O ATOM 545 CB GLN A 39 2.077 3.912 -2.589 1.00 0.00 C ATOM 546 CG GLN A 39 2.103 4.999 -3.665 1.00 0.00 C ATOM 547 CD GLN A 39 3.322 5.909 -3.496 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.279 6.930 -2.829 1.00 0.00 O ATOM 549 NE2 GLN A 39 4.408 5.483 -4.135 1.00 0.00 N ATOM 0 H GLN A 39 0.329 4.057 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 39 0.231 3.360 -3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.316 4.349 -1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.844 3.167 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.123 4.538 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.191 5.593 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.375 4.619 -4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.273 6.020 -4.084 1.00 0.00 H new ATOM 558 N VAL A 40 1.518 1.057 -3.161 1.00 0.00 N ATOM 559 CA VAL A 40 1.728 -0.374 -3.025 1.00 0.00 C ATOM 560 C VAL A 40 3.226 -0.654 -2.885 1.00 0.00 C ATOM 561 O VAL A 40 3.970 -0.574 -3.862 1.00 0.00 O ATOM 562 CB VAL A 40 1.090 -1.112 -4.203 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.475 -2.593 -4.197 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.431 -0.942 -4.197 1.00 0.00 C ATOM 0 H VAL A 40 1.924 1.470 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 40 1.241 -0.747 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 40 1.474 -0.670 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.008 -3.094 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.558 -2.688 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.133 -3.054 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.860 -1.476 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.839 -1.345 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.679 0.117 -4.272 1.00 0.00 H new ATOM 574 N HIS A 41 3.624 -0.977 -1.663 1.00 0.00 N ATOM 575 CA HIS A 41 5.020 -1.269 -1.383 1.00 0.00 C ATOM 576 C HIS A 41 5.241 -2.783 -1.403 1.00 0.00 C ATOM 577 O HIS A 41 5.496 -3.390 -0.365 1.00 0.00 O ATOM 578 CB HIS A 41 5.456 -0.623 -0.067 1.00 0.00 C ATOM 579 CG HIS A 41 6.952 -0.603 0.141 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.769 0.382 -0.386 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.769 -1.456 0.823 1.00 0.00 C ATOM 582 CE1 HIS A 41 9.019 0.123 -0.032 1.00 0.00 C ATOM 583 NE2 HIS A 41 9.017 -1.017 0.717 1.00 0.00 N ATOM 0 H HIS A 41 3.004 -1.043 -0.856 1.00 0.00 H new ATOM 0 HA HIS A 41 5.650 -0.835 -2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.081 0.400 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.991 -1.159 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.454 -2.339 1.359 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.887 0.711 -0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.839 -1.459 1.128 1.00 0.00 H new ATOM 591 N PHE A 42 5.135 -3.349 -2.597 1.00 0.00 N ATOM 592 CA PHE A 42 5.320 -4.780 -2.766 1.00 0.00 C ATOM 593 C PHE A 42 6.426 -5.302 -1.845 1.00 0.00 C ATOM 594 O PHE A 42 7.449 -4.644 -1.664 1.00 0.00 O ATOM 595 CB PHE A 42 5.734 -5.008 -4.221 1.00 0.00 C ATOM 596 CG PHE A 42 4.574 -5.376 -5.148 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.671 -6.318 -4.766 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.445 -4.760 -6.354 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.594 -6.659 -5.626 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.368 -5.101 -7.214 1.00 0.00 C ATOM 601 CZ PHE A 42 2.465 -6.044 -6.832 1.00 0.00 C ATOM 0 H PHE A 42 4.923 -2.842 -3.456 1.00 0.00 H new ATOM 0 HA PHE A 42 4.399 -5.307 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.214 -4.104 -4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.479 -5.803 -4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.773 -6.807 -3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.162 -4.011 -6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.877 -7.407 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.266 -4.612 -8.171 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.646 -6.304 -7.486 1.00 0.00 H new ATOM 611 N LEU A 43 6.181 -6.479 -1.289 1.00 0.00 N ATOM 612 CA LEU A 43 7.143 -7.097 -0.392 1.00 0.00 C ATOM 613 C LEU A 43 7.664 -8.390 -1.023 1.00 0.00 C ATOM 614 O LEU A 43 8.856 -8.684 -0.949 1.00 0.00 O ATOM 615 CB LEU A 43 6.531 -7.293 0.996 1.00 0.00 C ATOM 616 CG LEU A 43 6.174 -6.015 1.758 1.00 0.00 C ATOM 617 CD1 LEU A 43 5.196 -6.311 2.896 1.00 0.00 C ATOM 618 CD2 LEU A 43 7.434 -5.304 2.256 1.00 0.00 C ATOM 0 H LEU A 43 5.331 -7.021 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 43 8.003 -6.444 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.628 -7.894 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.230 -7.870 1.601 1.00 0.00 H new ATOM 0 HG LEU A 43 5.671 -5.336 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.959 -5.386 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.282 -6.741 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.650 -7.017 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.152 -4.399 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.986 -5.966 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.063 -5.040 1.406 1.00 0.00 H new ATOM 630 N ASP A 44 6.745 -9.128 -1.628 1.00 0.00 N ATOM 631 CA ASP A 44 7.097 -10.383 -2.271 1.00 0.00 C ATOM 632 C ASP A 44 6.748 -10.304 -3.758 1.00 0.00 C ATOM 633 O ASP A 44 5.603 -10.036 -4.118 1.00 0.00 O ATOM 634 CB ASP A 44 6.316 -11.551 -1.664 1.00 0.00 C ATOM 635 CG ASP A 44 5.992 -11.407 -0.175 1.00 0.00 C ATOM 636 OD1 ASP A 44 6.697 -10.615 0.486 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.045 -12.093 0.268 1.00 0.00 O ATOM 0 H ASP A 44 5.757 -8.881 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 44 8.165 -10.549 -2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.382 -11.669 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.889 -12.467 -1.809 1.00 0.00 H new ATOM 642 N PRO A 45 7.784 -10.549 -4.605 1.00 0.00 N ATOM 643 CA PRO A 45 7.599 -10.509 -6.045 1.00 0.00 C ATOM 644 C PRO A 45 6.857 -11.753 -6.538 1.00 0.00 C ATOM 645 O PRO A 45 6.608 -11.898 -7.734 1.00 0.00 O ATOM 646 CB PRO A 45 9.002 -10.388 -6.619 1.00 0.00 C ATOM 647 CG PRO A 45 9.944 -10.831 -5.512 1.00 0.00 C ATOM 648 CD PRO A 45 9.154 -10.870 -4.214 1.00 0.00 C ATOM 0 HA PRO A 45 6.978 -9.673 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.117 -11.014 -7.504 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.212 -9.363 -6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.360 -11.814 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.784 -10.141 -5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.212 -11.852 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.540 -10.149 -3.494 1.00 0.00 H new ATOM 656 N HIS A 46 6.524 -12.618 -5.591 1.00 0.00 N ATOM 657 CA HIS A 46 5.815 -13.845 -5.914 1.00 0.00 C ATOM 658 C HIS A 46 4.555 -13.951 -5.054 1.00 0.00 C ATOM 659 O HIS A 46 4.358 -14.944 -4.355 1.00 0.00 O ATOM 660 CB HIS A 46 6.736 -15.058 -5.769 1.00 0.00 C ATOM 661 CG HIS A 46 8.141 -14.826 -6.272 1.00 0.00 C ATOM 662 ND1 HIS A 46 9.218 -14.630 -5.424 1.00 0.00 N ATOM 663 CD2 HIS A 46 8.634 -14.764 -7.542 1.00 0.00 C ATOM 664 CE1 HIS A 46 10.304 -14.456 -6.162 1.00 0.00 C ATOM 665 NE2 HIS A 46 9.941 -14.539 -7.474 1.00 0.00 N ATOM 0 H HIS A 46 6.732 -12.494 -4.600 1.00 0.00 H new ATOM 0 HA HIS A 46 5.500 -13.824 -6.957 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.780 -15.344 -4.718 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.301 -15.898 -6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.059 -14.878 -8.449 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.302 -14.279 -5.790 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.570 -14.444 -8.272 1.00 0.00 H new ATOM 673 N CYS A 47 3.734 -12.913 -5.132 1.00 0.00 N ATOM 674 CA CYS A 47 2.498 -12.877 -4.370 1.00 0.00 C ATOM 675 C CYS A 47 1.334 -12.711 -5.348 1.00 0.00 C ATOM 676 O CYS A 47 1.528 -12.269 -6.480 1.00 0.00 O ATOM 677 CB CYS A 47 2.518 -11.771 -3.313 1.00 0.00 C ATOM 678 SG CYS A 47 2.808 -10.149 -4.110 1.00 0.00 S ATOM 0 H CYS A 47 3.901 -12.091 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 47 2.379 -13.811 -3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.572 -11.756 -2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.300 -11.971 -2.581 1.00 0.00 H new ATOM 0 HG CYS A 47 4.078 -10.004 -4.349 1.00 0.00 H new ATOM 684 N SER A 48 0.151 -13.075 -4.878 1.00 0.00 N ATOM 685 CA SER A 48 -1.045 -12.973 -5.697 1.00 0.00 C ATOM 686 C SER A 48 -1.082 -11.614 -6.401 1.00 0.00 C ATOM 687 O SER A 48 -1.037 -11.545 -7.628 1.00 0.00 O ATOM 688 CB SER A 48 -2.308 -13.170 -4.857 1.00 0.00 C ATOM 689 OG SER A 48 -3.062 -14.301 -5.283 1.00 0.00 O ATOM 0 H SER A 48 -0.006 -13.442 -3.939 1.00 0.00 H new ATOM 0 HA SER A 48 -1.014 -13.764 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.031 -13.292 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.928 -12.276 -4.920 1.00 0.00 H new ATOM 0 HG SER A 48 -3.859 -14.393 -4.721 1.00 0.00 H new ATOM 695 N ALA A 49 -1.162 -10.567 -5.593 1.00 0.00 N ATOM 696 CA ALA A 49 -1.206 -9.215 -6.122 1.00 0.00 C ATOM 697 C ALA A 49 -0.244 -9.105 -7.307 1.00 0.00 C ATOM 698 O ALA A 49 -0.672 -8.905 -8.442 1.00 0.00 O ATOM 699 CB ALA A 49 -0.876 -8.220 -5.008 1.00 0.00 C ATOM 0 H ALA A 49 -1.197 -10.628 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.206 -8.977 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.909 -7.205 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.605 -8.319 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.122 -8.426 -4.620 1.00 0.00 H new ATOM 705 N SER A 50 1.038 -9.240 -7.001 1.00 0.00 N ATOM 706 CA SER A 50 2.065 -9.157 -8.026 1.00 0.00 C ATOM 707 C SER A 50 1.728 -10.103 -9.181 1.00 0.00 C ATOM 708 O SER A 50 1.736 -9.697 -10.342 1.00 0.00 O ATOM 709 CB SER A 50 3.444 -9.490 -7.453 1.00 0.00 C ATOM 710 OG SER A 50 4.496 -8.952 -8.248 1.00 0.00 O ATOM 0 H SER A 50 1.389 -9.406 -6.058 1.00 0.00 H new ATOM 0 HA SER A 50 2.094 -8.133 -8.399 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.519 -9.098 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.557 -10.572 -7.386 1.00 0.00 H new ATOM 0 HG SER A 50 5.360 -9.185 -7.848 1.00 0.00 H new ATOM 716 N LEU A 51 1.439 -11.345 -8.822 1.00 0.00 N ATOM 717 CA LEU A 51 1.100 -12.351 -9.814 1.00 0.00 C ATOM 718 C LEU A 51 -0.100 -11.870 -10.632 1.00 0.00 C ATOM 719 O LEU A 51 -0.320 -12.335 -11.750 1.00 0.00 O ATOM 720 CB LEU A 51 0.884 -13.711 -9.146 1.00 0.00 C ATOM 721 CG LEU A 51 2.093 -14.299 -8.417 1.00 0.00 C ATOM 722 CD1 LEU A 51 1.652 -15.256 -7.307 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.055 -14.968 -9.401 1.00 0.00 C ATOM 0 H LEU A 51 1.433 -11.678 -7.858 1.00 0.00 H new ATOM 0 HA LEU A 51 1.926 -12.492 -10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.065 -13.617 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.563 -14.421 -9.908 1.00 0.00 H new ATOM 0 HG LEU A 51 2.635 -13.482 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.531 -15.660 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.037 -14.718 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.074 -16.073 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.906 -15.378 -8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.538 -15.772 -9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.407 -14.231 -10.123 1.00 0.00 H new ATOM 735 N ALA A 52 -0.845 -10.946 -10.043 1.00 0.00 N ATOM 736 CA ALA A 52 -2.017 -10.397 -10.704 1.00 0.00 C ATOM 737 C ALA A 52 -1.575 -9.566 -11.910 1.00 0.00 C ATOM 738 O ALA A 52 -2.057 -9.773 -13.022 1.00 0.00 O ATOM 739 CB ALA A 52 -2.833 -9.581 -9.700 1.00 0.00 C ATOM 0 H ALA A 52 -0.660 -10.564 -9.116 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.660 -11.196 -11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.712 -9.169 -10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.148 -10.224 -8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.222 -8.767 -9.310 1.00 0.00 H new ATOM 745 N GLY A 53 -0.662 -8.641 -11.648 1.00 0.00 N ATOM 746 CA GLY A 53 -0.150 -7.777 -12.698 1.00 0.00 C ATOM 747 C GLY A 53 -0.062 -6.327 -12.220 1.00 0.00 C ATOM 748 O GLY A 53 -0.424 -5.405 -12.950 1.00 0.00 O ATOM 0 H GLY A 53 -0.264 -8.472 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.836 -8.122 -13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.799 -7.837 -13.572 1.00 0.00 H new ATOM 752 N ALA A 54 0.422 -6.169 -10.997 1.00 0.00 N ATOM 753 CA ALA A 54 0.563 -4.846 -10.412 1.00 0.00 C ATOM 754 C ALA A 54 2.001 -4.359 -10.604 1.00 0.00 C ATOM 755 O ALA A 54 2.751 -4.925 -11.397 1.00 0.00 O ATOM 756 CB ALA A 54 0.154 -4.892 -8.939 1.00 0.00 C ATOM 0 H ALA A 54 0.722 -6.936 -10.395 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.095 -4.134 -10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.260 -3.900 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.884 -5.215 -8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.794 -5.594 -8.405 1.00 0.00 H new ATOM 762 N LYS A 55 2.341 -3.314 -9.864 1.00 0.00 N ATOM 763 CA LYS A 55 3.676 -2.745 -9.942 1.00 0.00 C ATOM 764 C LYS A 55 3.909 -1.835 -8.734 1.00 0.00 C ATOM 765 O LYS A 55 2.957 -1.335 -8.136 1.00 0.00 O ATOM 766 CB LYS A 55 3.882 -2.045 -11.287 1.00 0.00 C ATOM 767 CG LYS A 55 4.308 -3.044 -12.365 1.00 0.00 C ATOM 768 CD LYS A 55 5.258 -2.392 -13.372 1.00 0.00 C ATOM 769 CE LYS A 55 6.624 -3.080 -13.363 1.00 0.00 C ATOM 770 NZ LYS A 55 7.615 -2.255 -12.637 1.00 0.00 N ATOM 0 H LYS A 55 1.716 -2.847 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 55 4.429 -3.532 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.959 -1.550 -11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.641 -1.269 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.797 -3.900 -11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.427 -3.423 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.827 -2.446 -14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.378 -1.335 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.542 -4.059 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.961 -3.247 -14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.537 -2.737 -12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.706 -1.330 -13.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.300 -2.117 -11.655 1.00 0.00 H new ATOM 784 N GLU A 56 5.180 -1.649 -8.410 1.00 0.00 N ATOM 785 CA GLU A 56 5.551 -0.809 -7.284 1.00 0.00 C ATOM 786 C GLU A 56 5.223 0.655 -7.584 1.00 0.00 C ATOM 787 O GLU A 56 5.733 1.224 -8.548 1.00 0.00 O ATOM 788 CB GLU A 56 7.031 -0.979 -6.936 1.00 0.00 C ATOM 789 CG GLU A 56 7.337 -0.408 -5.551 1.00 0.00 C ATOM 790 CD GLU A 56 8.801 -0.645 -5.171 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.667 -0.073 -5.868 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.019 -1.392 -4.193 1.00 0.00 O ATOM 0 H GLU A 56 5.966 -2.066 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 56 4.970 -1.121 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.296 -2.036 -6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.644 -0.477 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.123 0.661 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.686 -0.872 -4.810 1.00 0.00 H new ATOM 799 N GLY A 57 4.374 1.224 -6.741 1.00 0.00 N ATOM 800 CA GLY A 57 3.973 2.611 -6.904 1.00 0.00 C ATOM 801 C GLY A 57 2.479 2.716 -7.219 1.00 0.00 C ATOM 802 O GLY A 57 1.960 3.812 -7.422 1.00 0.00 O ATOM 0 H GLY A 57 3.953 0.749 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.196 3.167 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.551 3.068 -7.707 1.00 0.00 H new ATOM 806 N ASP A 58 1.831 1.561 -7.250 1.00 0.00 N ATOM 807 CA ASP A 58 0.407 1.509 -7.537 1.00 0.00 C ATOM 808 C ASP A 58 -0.355 2.278 -6.455 1.00 0.00 C ATOM 809 O ASP A 58 -0.129 2.068 -5.264 1.00 0.00 O ATOM 810 CB ASP A 58 -0.102 0.066 -7.539 1.00 0.00 C ATOM 811 CG ASP A 58 0.459 -0.815 -8.657 1.00 0.00 C ATOM 812 OD1 ASP A 58 0.995 -0.233 -9.624 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.339 -2.052 -8.518 1.00 0.00 O ATOM 0 H ASP A 58 2.265 0.654 -7.081 1.00 0.00 H new ATOM 0 HA ASP A 58 0.245 1.950 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.142 -0.391 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.189 0.080 -7.618 1.00 0.00 H new ATOM 818 N TYR A 59 -1.241 3.152 -6.909 1.00 0.00 N ATOM 819 CA TYR A 59 -2.038 3.952 -5.995 1.00 0.00 C ATOM 820 C TYR A 59 -3.476 3.435 -5.923 1.00 0.00 C ATOM 821 O TYR A 59 -4.301 3.765 -6.773 1.00 0.00 O ATOM 822 CB TYR A 59 -2.047 5.369 -6.573 1.00 0.00 C ATOM 823 CG TYR A 59 -0.669 6.032 -6.615 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.242 5.670 -7.587 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.336 6.993 -5.682 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.539 6.295 -7.626 1.00 0.00 C ATOM 827 CE2 TYR A 59 0.960 7.618 -5.721 1.00 0.00 C ATOM 828 CZ TYR A 59 1.834 7.238 -6.692 1.00 0.00 C ATOM 829 OH TYR A 59 3.059 7.827 -6.729 1.00 0.00 O ATOM 0 H TYR A 59 -1.424 3.324 -7.898 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.621 3.913 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.454 5.336 -7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.719 5.988 -5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.018 4.918 -8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.049 7.276 -4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.261 6.021 -8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.232 8.371 -4.996 1.00 0.00 H new ATOM 0 HH TYR A 59 3.129 8.481 -6.003 1.00 0.00 H new ATOM 839 N ILE A 60 -3.731 2.632 -4.901 1.00 0.00 N ATOM 840 CA ILE A 60 -5.055 2.065 -4.707 1.00 0.00 C ATOM 841 C ILE A 60 -6.103 3.174 -4.827 1.00 0.00 C ATOM 842 O ILE A 60 -6.336 3.919 -3.876 1.00 0.00 O ATOM 843 CB ILE A 60 -5.121 1.298 -3.385 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.217 0.064 -3.421 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.566 0.940 -3.030 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.736 -0.304 -2.016 1.00 0.00 C ATOM 0 H ILE A 60 -3.043 2.360 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.273 1.333 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.747 1.948 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.759 -0.776 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.359 0.256 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.585 0.395 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.154 1.853 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.990 0.316 -3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.095 -1.184 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.174 0.529 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.596 -0.519 -1.382 1.00 0.00 H new ATOM 858 N VAL A 61 -6.706 3.249 -6.005 1.00 0.00 N ATOM 859 CA VAL A 61 -7.722 4.255 -6.262 1.00 0.00 C ATOM 860 C VAL A 61 -9.092 3.704 -5.860 1.00 0.00 C ATOM 861 O VAL A 61 -9.890 4.405 -5.239 1.00 0.00 O ATOM 862 CB VAL A 61 -7.662 4.698 -7.725 1.00 0.00 C ATOM 863 CG1 VAL A 61 -8.431 3.727 -8.624 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.185 6.126 -7.888 1.00 0.00 C ATOM 0 H VAL A 61 -6.510 2.630 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.539 5.145 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.617 4.687 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.373 4.065 -9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.994 2.732 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.475 3.692 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.131 6.416 -8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.220 6.175 -7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.577 6.806 -7.292 1.00 0.00 H new ATOM 874 N SER A 62 -9.323 2.452 -6.230 1.00 0.00 N ATOM 875 CA SER A 62 -10.582 1.799 -5.915 1.00 0.00 C ATOM 876 C SER A 62 -10.376 0.286 -5.816 1.00 0.00 C ATOM 877 O SER A 62 -9.351 -0.234 -6.254 1.00 0.00 O ATOM 878 CB SER A 62 -11.647 2.122 -6.965 1.00 0.00 C ATOM 879 OG SER A 62 -12.338 3.332 -6.670 1.00 0.00 O ATOM 0 H SER A 62 -8.659 1.873 -6.745 1.00 0.00 H new ATOM 0 HA SER A 62 -10.932 2.175 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.177 2.203 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.362 1.301 -7.021 1.00 0.00 H new ATOM 0 HG SER A 62 -13.008 3.504 -7.364 1.00 0.00 H new ATOM 885 N ILE A 63 -11.366 -0.377 -5.236 1.00 0.00 N ATOM 886 CA ILE A 63 -11.306 -1.819 -5.073 1.00 0.00 C ATOM 887 C ILE A 63 -12.706 -2.407 -5.256 1.00 0.00 C ATOM 888 O ILE A 63 -13.601 -2.150 -4.453 1.00 0.00 O ATOM 889 CB ILE A 63 -10.657 -2.181 -3.736 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.144 -1.958 -3.783 1.00 0.00 C ATOM 891 CG2 ILE A 63 -11.012 -3.611 -3.323 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.539 -2.003 -2.378 1.00 0.00 C ATOM 0 H ILE A 63 -12.214 0.058 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.671 -2.263 -5.839 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.058 -1.516 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.680 -2.721 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.929 -0.994 -4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.538 -3.843 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.093 -3.703 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.658 -4.308 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.463 -1.842 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.988 -1.223 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.735 -2.977 -1.929 1.00 0.00 H new ATOM 904 N GLN A 64 -12.853 -3.186 -6.318 1.00 0.00 N ATOM 905 CA GLN A 64 -14.129 -3.813 -6.616 1.00 0.00 C ATOM 906 C GLN A 64 -15.133 -2.766 -7.103 1.00 0.00 C ATOM 907 O GLN A 64 -16.306 -3.075 -7.311 1.00 0.00 O ATOM 908 CB GLN A 64 -14.668 -4.565 -5.398 1.00 0.00 C ATOM 909 CG GLN A 64 -14.592 -6.079 -5.610 1.00 0.00 C ATOM 910 CD GLN A 64 -15.924 -6.628 -6.127 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.917 -5.926 -6.226 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.889 -7.917 -6.449 1.00 0.00 N ATOM 0 H GLN A 64 -12.109 -3.397 -6.983 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.977 -4.541 -7.413 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.095 -4.289 -4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.701 -4.272 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.799 -6.311 -6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.332 -6.569 -4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.024 -8.446 -6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.727 -8.377 -6.804 1.00 0.00 H new ATOM 921 N GLY A 65 -14.637 -1.550 -7.271 1.00 0.00 N ATOM 922 CA GLY A 65 -15.476 -0.456 -7.729 1.00 0.00 C ATOM 923 C GLY A 65 -15.791 0.511 -6.586 1.00 0.00 C ATOM 924 O GLY A 65 -16.667 1.365 -6.713 1.00 0.00 O ATOM 0 H GLY A 65 -13.664 -1.298 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.973 0.079 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.404 -0.853 -8.140 1.00 0.00 H new ATOM 928 N VAL A 66 -15.058 0.344 -5.494 1.00 0.00 N ATOM 929 CA VAL A 66 -15.248 1.191 -4.329 1.00 0.00 C ATOM 930 C VAL A 66 -14.120 2.222 -4.264 1.00 0.00 C ATOM 931 O VAL A 66 -12.950 1.880 -4.434 1.00 0.00 O ATOM 932 CB VAL A 66 -15.344 0.331 -3.067 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.134 1.177 -1.810 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.681 -0.412 -3.011 1.00 0.00 C ATOM 0 H VAL A 66 -14.332 -0.365 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.187 1.740 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.548 -0.413 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.207 0.542 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.148 1.640 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.897 1.954 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.724 -1.016 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.498 0.309 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.774 -1.059 -3.883 1.00 0.00 H new ATOM 944 N ASP A 67 -14.510 3.465 -4.018 1.00 0.00 N ATOM 945 CA ASP A 67 -13.546 4.548 -3.929 1.00 0.00 C ATOM 946 C ASP A 67 -12.547 4.245 -2.811 1.00 0.00 C ATOM 947 O ASP A 67 -12.937 4.047 -1.661 1.00 0.00 O ATOM 948 CB ASP A 67 -14.236 5.873 -3.601 1.00 0.00 C ATOM 949 CG ASP A 67 -14.195 6.918 -4.717 1.00 0.00 C ATOM 950 OD1 ASP A 67 -13.129 7.019 -5.362 1.00 0.00 O ATOM 951 OD2 ASP A 67 -15.231 7.593 -4.902 1.00 0.00 O ATOM 0 H ASP A 67 -15.481 3.745 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.043 4.632 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.278 5.671 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.771 6.296 -2.710 1.00 0.00 H new ATOM 956 N CYS A 68 -11.277 4.219 -3.187 1.00 0.00 N ATOM 957 CA CYS A 68 -10.218 3.944 -2.230 1.00 0.00 C ATOM 958 C CYS A 68 -9.178 5.061 -2.329 1.00 0.00 C ATOM 959 O CYS A 68 -8.135 5.002 -1.681 1.00 0.00 O ATOM 960 CB CYS A 68 -9.597 2.564 -2.455 1.00 0.00 C ATOM 961 SG CYS A 68 -10.627 1.276 -1.662 1.00 0.00 S ATOM 0 H CYS A 68 -10.957 4.384 -4.141 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.632 3.924 -1.222 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.510 2.365 -3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.588 2.539 -2.043 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.372 0.703 -2.560 1.00 0.00 H new ATOM 967 N LYS A 69 -9.499 6.054 -3.146 1.00 0.00 N ATOM 968 CA LYS A 69 -8.605 7.183 -3.339 1.00 0.00 C ATOM 969 C LYS A 69 -8.797 8.181 -2.195 1.00 0.00 C ATOM 970 O LYS A 69 -8.022 9.126 -2.054 1.00 0.00 O ATOM 971 CB LYS A 69 -8.804 7.793 -4.728 1.00 0.00 C ATOM 972 CG LYS A 69 -7.554 8.550 -5.179 1.00 0.00 C ATOM 973 CD LYS A 69 -7.912 9.950 -5.683 1.00 0.00 C ATOM 974 CE LYS A 69 -8.582 9.882 -7.057 1.00 0.00 C ATOM 975 NZ LYS A 69 -7.828 10.689 -8.042 1.00 0.00 N ATOM 0 H LYS A 69 -10.366 6.100 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.566 6.856 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.035 7.005 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.658 8.470 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.852 8.627 -4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.052 7.992 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.580 10.437 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.011 10.560 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.635 8.846 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.607 10.247 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.296 10.632 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.799 11.680 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.858 10.323 -8.121 1.00 0.00 H new ATOM 989 N TRP A 70 -9.835 7.937 -1.408 1.00 0.00 N ATOM 990 CA TRP A 70 -10.139 8.802 -0.281 1.00 0.00 C ATOM 991 C TRP A 70 -9.808 8.040 1.003 1.00 0.00 C ATOM 992 O TRP A 70 -9.366 8.634 1.986 1.00 0.00 O ATOM 993 CB TRP A 70 -11.590 9.282 -0.334 1.00 0.00 C ATOM 994 CG TRP A 70 -11.998 9.884 -1.680 1.00 0.00 C ATOM 995 CD1 TRP A 70 -12.485 9.247 -2.755 1.00 0.00 C ATOM 996 CD2 TRP A 70 -11.935 11.276 -2.054 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.739 10.124 -3.790 1.00 0.00 N ATOM 998 CE2 TRP A 70 -12.394 11.397 -3.350 1.00 0.00 C ATOM 999 CE3 TRP A 70 -11.505 12.396 -1.322 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -12.466 12.621 -4.027 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -11.583 13.612 -2.012 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -12.043 13.750 -3.317 1.00 0.00 C ATOM 0 H TRP A 70 -10.476 7.153 -1.529 1.00 0.00 H new ATOM 0 HA TRP A 70 -9.532 9.707 -0.315 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.248 8.443 -0.109 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -11.744 10.027 0.447 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.657 8.182 -2.805 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.111 9.883 -4.708 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -11.143 12.324 -0.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.828 12.690 -5.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -11.264 14.505 -1.495 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.074 14.725 -3.781 1.00 0.00 H new ATOM 1013 N LEU A 71 -10.033 6.735 0.954 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.764 5.885 2.102 1.00 0.00 C ATOM 1015 C LEU A 71 -8.283 5.987 2.470 1.00 0.00 C ATOM 1016 O LEU A 71 -7.476 6.478 1.682 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.233 4.455 1.831 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.718 4.286 1.503 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.095 2.807 1.408 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.591 5.036 2.512 1.00 0.00 C ATOM 0 H LEU A 71 -10.399 6.245 0.137 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.332 6.223 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.650 4.054 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.003 3.847 2.706 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.903 4.728 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.156 2.716 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.508 2.332 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.890 2.317 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.642 4.900 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.408 4.645 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.346 6.098 2.486 1.00 0.00 H new ATOM 1032 N THR A 72 -7.970 5.515 3.668 1.00 0.00 N ATOM 1033 CA THR A 72 -6.600 5.547 4.151 1.00 0.00 C ATOM 1034 C THR A 72 -5.920 4.197 3.915 1.00 0.00 C ATOM 1035 O THR A 72 -6.206 3.518 2.930 1.00 0.00 O ATOM 1036 CB THR A 72 -6.627 5.965 5.622 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.044 4.789 6.310 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.728 6.983 5.922 1.00 0.00 C ATOM 0 H THR A 72 -8.642 5.108 4.319 1.00 0.00 H new ATOM 0 HA THR A 72 -6.004 6.276 3.602 1.00 0.00 H new ATOM 0 HB THR A 72 -5.660 6.386 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.087 4.971 7.272 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.703 7.245 6.980 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.569 7.879 5.322 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.699 6.551 5.678 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.032 3.849 4.834 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.309 2.593 4.739 1.00 0.00 C ATOM 1048 C VAL A 73 -5.093 1.501 5.469 1.00 0.00 C ATOM 1049 O VAL A 73 -5.099 0.346 5.044 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.886 2.766 5.274 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.217 1.409 5.503 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -2.049 3.637 4.335 1.00 0.00 C ATOM 0 H VAL A 73 -4.797 4.416 5.649 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.215 2.285 3.698 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.950 3.275 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.207 1.561 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.795 0.836 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.172 0.862 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.042 3.744 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.998 3.168 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.510 4.621 4.244 1.00 0.00 H new ATOM 1062 N SER A 74 -5.736 1.904 6.555 1.00 0.00 N ATOM 1063 CA SER A 74 -6.522 0.975 7.348 1.00 0.00 C ATOM 1064 C SER A 74 -7.831 0.648 6.627 1.00 0.00 C ATOM 1065 O SER A 74 -8.115 -0.515 6.344 1.00 0.00 O ATOM 1066 CB SER A 74 -6.810 1.544 8.739 1.00 0.00 C ATOM 1067 OG SER A 74 -6.849 0.525 9.735 1.00 0.00 O ATOM 0 H SER A 74 -5.728 2.862 6.904 1.00 0.00 H new ATOM 0 HA SER A 74 -5.945 0.059 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.044 2.275 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.763 2.073 8.724 1.00 0.00 H new ATOM 0 HG SER A 74 -7.034 0.929 10.609 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.594 1.696 6.350 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.867 1.535 5.667 1.00 0.00 C ATOM 1075 C GLU A 75 -9.727 0.544 4.510 1.00 0.00 C ATOM 1076 O GLU A 75 -10.487 -0.418 4.417 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.398 2.882 5.174 1.00 0.00 C ATOM 1078 CG GLU A 75 -10.916 3.727 6.340 1.00 0.00 C ATOM 1079 CD GLU A 75 -11.597 5.001 5.834 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.855 5.962 5.537 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -12.844 4.984 5.755 1.00 0.00 O ATOM 0 H GLU A 75 -8.355 2.659 6.586 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.590 1.134 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.606 3.421 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.200 2.719 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.622 3.143 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.089 3.990 6.999 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.749 0.813 3.657 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.500 -0.043 2.510 1.00 0.00 C ATOM 1090 C VAL A 76 -8.205 -1.464 2.994 1.00 0.00 C ATOM 1091 O VAL A 76 -8.889 -2.410 2.605 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.374 0.542 1.655 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.967 -0.429 0.545 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.775 1.901 1.076 1.00 0.00 C ATOM 0 H VAL A 76 -8.120 1.612 3.738 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.383 -0.093 1.872 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.508 0.695 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.165 0.011 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.620 -1.363 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.825 -0.628 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.957 2.295 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.662 1.784 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.992 2.593 1.889 1.00 0.00 H new ATOM 1104 N MET A 77 -7.187 -1.570 3.836 1.00 0.00 N ATOM 1105 CA MET A 77 -6.794 -2.859 4.377 1.00 0.00 C ATOM 1106 C MET A 77 -8.021 -3.691 4.758 1.00 0.00 C ATOM 1107 O MET A 77 -8.031 -4.908 4.579 1.00 0.00 O ATOM 1108 CB MET A 77 -5.916 -2.649 5.612 1.00 0.00 C ATOM 1109 CG MET A 77 -4.433 -2.767 5.257 1.00 0.00 C ATOM 1110 SD MET A 77 -4.087 -4.395 4.612 1.00 0.00 S ATOM 1111 CE MET A 77 -2.657 -4.033 3.607 1.00 0.00 C ATOM 0 H MET A 77 -6.623 -0.783 4.157 1.00 0.00 H new ATOM 0 HA MET A 77 -6.236 -3.398 3.611 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.114 -1.666 6.040 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.171 -3.386 6.373 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.166 -2.010 4.519 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.823 -2.580 6.141 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.968 -4.877 3.638 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.970 -3.858 2.578 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.158 -3.143 3.991 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.026 -3.001 5.278 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.254 -3.661 5.686 1.00 0.00 C ATOM 1123 C LYS A 78 -11.062 -4.039 4.443 1.00 0.00 C ATOM 1124 O LYS A 78 -11.602 -5.141 4.360 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.026 -2.789 6.679 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.709 -3.189 8.121 1.00 0.00 C ATOM 1127 CD LYS A 78 -9.407 -2.541 8.596 1.00 0.00 C ATOM 1128 CE LYS A 78 -9.404 -2.367 10.116 1.00 0.00 C ATOM 1129 NZ LYS A 78 -8.479 -3.334 10.748 1.00 0.00 N ATOM 0 H LYS A 78 -9.015 -1.992 5.426 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.031 -4.587 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.770 -1.741 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.096 -2.886 6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.528 -2.888 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.627 -4.274 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.559 -3.157 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.283 -1.571 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.106 -1.350 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.412 -2.511 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.490 -3.201 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.781 -4.303 10.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.515 -3.178 10.389 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.120 -3.103 3.506 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.853 -3.324 2.271 1.00 0.00 C ATOM 1145 C LEU A 79 -11.236 -4.508 1.523 1.00 0.00 C ATOM 1146 O LEU A 79 -11.917 -5.180 0.749 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.912 -2.038 1.445 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.295 -1.636 0.929 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.780 -0.351 1.604 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.297 -1.518 -0.597 1.00 0.00 C ATOM 0 H LEU A 79 -10.671 -2.190 3.578 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.889 -3.585 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.521 -1.221 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.245 -2.148 0.590 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.001 -2.424 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.765 -0.087 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.841 -0.506 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.080 0.457 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.292 -1.231 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.576 -0.761 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.025 -2.478 -1.036 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.955 -4.726 1.779 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.239 -5.817 1.139 1.00 0.00 C ATOM 1164 C LEU A 80 -9.470 -7.106 1.930 1.00 0.00 C ATOM 1165 O LEU A 80 -9.741 -8.155 1.348 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.762 -5.459 0.963 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.345 -5.000 -0.436 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.934 -4.409 -0.421 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.478 -6.139 -1.448 1.00 0.00 C ATOM 0 H LEU A 80 -9.394 -4.166 2.421 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.623 -5.987 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.513 -4.669 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.163 -6.329 1.232 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.023 -4.207 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.662 -4.091 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.906 -3.551 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.227 -5.164 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.176 -5.787 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.839 -6.969 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.515 -6.474 -1.485 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.352 -6.985 3.244 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.544 -8.128 4.121 1.00 0.00 C ATOM 1183 C LYS A 81 -10.978 -8.642 3.974 1.00 0.00 C ATOM 1184 O LYS A 81 -11.198 -9.844 3.832 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.163 -7.770 5.558 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.654 -7.551 5.688 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.314 -6.836 6.997 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.857 -6.371 7.004 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.479 -5.873 8.346 1.00 0.00 N ATOM 0 H LYS A 81 -9.126 -6.113 3.723 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.881 -8.945 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.693 -6.868 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.477 -8.568 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.139 -8.511 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.294 -6.962 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.974 -5.979 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.490 -7.506 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.204 -7.196 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.717 -5.583 6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.487 -5.561 8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.090 -5.072 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.594 -6.635 9.044 1.00 0.00 H new ATOM 1203 N SER A 82 -11.915 -7.707 4.014 1.00 0.00 N ATOM 1204 CA SER A 82 -13.321 -8.051 3.888 1.00 0.00 C ATOM 1205 C SER A 82 -13.522 -9.010 2.713 1.00 0.00 C ATOM 1206 O SER A 82 -14.413 -9.857 2.743 1.00 0.00 O ATOM 1207 CB SER A 82 -14.180 -6.798 3.703 1.00 0.00 C ATOM 1208 OG SER A 82 -15.555 -7.047 3.984 1.00 0.00 O ATOM 0 H SER A 82 -11.728 -6.711 4.132 1.00 0.00 H new ATOM 0 HA SER A 82 -13.636 -8.543 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.814 -6.007 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.079 -6.437 2.680 1.00 0.00 H new ATOM 0 HG SER A 82 -16.070 -6.223 3.856 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.678 -8.845 1.705 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.751 -9.686 0.522 1.00 0.00 C ATOM 1216 C PHE A 83 -11.698 -10.794 0.571 1.00 0.00 C ATOM 1217 O PHE A 83 -11.070 -11.105 -0.440 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.472 -8.786 -0.684 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.418 -7.590 -0.801 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.729 -7.725 -0.463 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -12.950 -6.392 -1.243 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.608 -6.615 -0.572 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -13.828 -5.282 -1.351 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.139 -5.417 -1.013 1.00 0.00 C ATOM 0 H PHE A 83 -11.940 -8.141 1.683 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.732 -10.157 0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.447 -8.420 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.543 -9.383 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.101 -8.676 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.910 -6.285 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.649 -6.722 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.456 -4.331 -1.701 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.807 -4.573 -1.095 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.537 -11.361 1.758 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.570 -12.429 1.952 1.00 0.00 C ATOM 1236 C GLY A 84 -10.928 -13.653 1.106 1.00 0.00 C ATOM 1237 O GLY A 84 -11.985 -14.253 1.293 1.00 0.00 O ATOM 0 H GLY A 84 -12.059 -11.101 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.574 -12.076 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.537 -12.708 3.005 1.00 0.00 H new ATOM 1241 N GLY A 85 -10.027 -13.986 0.194 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.234 -15.127 -0.681 1.00 0.00 C ATOM 1243 C GLY A 85 -11.593 -15.043 -1.379 1.00 0.00 C ATOM 1244 O GLY A 85 -12.318 -16.034 -1.454 1.00 0.00 O ATOM 0 H GLY A 85 -9.151 -13.485 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.440 -15.167 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.175 -16.049 -0.103 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.896 -13.852 -1.873 1.00 0.00 N ATOM 1249 CA GLU A 86 -13.155 -13.626 -2.562 1.00 0.00 C ATOM 1250 C GLU A 86 -12.898 -13.109 -3.979 1.00 0.00 C ATOM 1251 O GLU A 86 -13.834 -12.930 -4.757 1.00 0.00 O ATOM 1252 CB GLU A 86 -14.043 -12.658 -1.778 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.475 -13.268 -0.443 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.657 -12.502 0.154 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.549 -12.129 -0.638 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -15.640 -12.305 1.388 1.00 0.00 O ATOM 0 H GLU A 86 -11.291 -13.033 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.684 -14.576 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.504 -11.728 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.924 -12.407 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.751 -14.312 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.638 -13.254 0.255 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.626 -12.885 -4.272 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.234 -12.392 -5.582 1.00 0.00 C ATOM 1265 C GLU A 87 -11.920 -11.056 -5.873 1.00 0.00 C ATOM 1266 O GLU A 87 -13.145 -10.989 -5.961 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.550 -13.420 -6.670 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.413 -13.505 -7.690 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.418 -14.858 -8.406 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.856 -15.837 -7.764 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -9.985 -14.882 -9.578 1.00 0.00 O ATOM 0 H GLU A 87 -10.852 -13.036 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.156 -12.231 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.710 -14.398 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.477 -13.147 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.514 -12.703 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.457 -13.359 -7.187 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.100 -10.025 -6.015 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.613 -8.694 -6.295 1.00 0.00 C ATOM 1280 C VAL A 88 -10.765 -8.047 -7.392 1.00 0.00 C ATOM 1281 O VAL A 88 -9.804 -8.644 -7.872 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.656 -7.869 -5.007 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.195 -8.701 -3.841 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.278 -7.292 -4.679 1.00 0.00 C ATOM 0 H VAL A 88 -10.084 -10.084 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.637 -8.748 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.339 -7.034 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.215 -8.091 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.205 -9.040 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.550 -9.565 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.337 -6.710 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.564 -8.106 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.949 -6.648 -5.495 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.153 -6.833 -7.755 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.441 -6.098 -8.787 1.00 0.00 C ATOM 1296 C GLU A 89 -9.931 -4.766 -8.232 1.00 0.00 C ATOM 1297 O GLU A 89 -10.712 -3.844 -8.005 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.328 -5.877 -10.014 1.00 0.00 C ATOM 1299 CG GLU A 89 -10.892 -6.774 -11.174 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.094 -7.200 -12.020 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.075 -6.426 -12.042 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.004 -8.290 -12.625 1.00 0.00 O ATOM 0 H GLU A 89 -11.951 -6.340 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.583 -6.691 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.367 -6.086 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.279 -4.832 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.173 -6.243 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.385 -7.657 -10.785 1.00 0.00 H new ATOM 1309 N MET A 90 -8.622 -4.708 -8.031 1.00 0.00 N ATOM 1310 CA MET A 90 -7.999 -3.505 -7.508 1.00 0.00 C ATOM 1311 C MET A 90 -7.550 -2.582 -8.643 1.00 0.00 C ATOM 1312 O MET A 90 -6.897 -3.024 -9.586 1.00 0.00 O ATOM 1313 CB MET A 90 -6.789 -3.887 -6.653 1.00 0.00 C ATOM 1314 CG MET A 90 -6.197 -2.658 -5.959 1.00 0.00 C ATOM 1315 SD MET A 90 -4.890 -3.154 -4.849 1.00 0.00 S ATOM 1316 CE MET A 90 -4.188 -4.504 -5.781 1.00 0.00 C ATOM 0 H MET A 90 -7.977 -5.475 -8.221 1.00 0.00 H new ATOM 0 HA MET A 90 -8.732 -2.974 -6.901 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.085 -4.623 -5.906 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.030 -4.356 -7.279 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.809 -1.962 -6.703 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.975 -2.132 -5.406 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.108 -5.384 -5.143 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.829 -4.730 -6.633 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.197 -4.223 -6.138 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.919 -1.316 -8.514 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.563 -0.326 -9.517 1.00 0.00 C ATOM 1328 C LYS A 91 -6.512 0.623 -8.940 1.00 0.00 C ATOM 1329 O LYS A 91 -6.636 1.074 -7.802 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.815 0.384 -10.037 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.498 -0.439 -11.131 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.899 -0.874 -10.696 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.861 -0.892 -11.886 1.00 0.00 C ATOM 1334 NZ LYS A 91 -13.264 -0.841 -11.418 1.00 0.00 N ATOM 0 H LYS A 91 -8.461 -0.953 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.114 -0.808 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.511 0.551 -9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.545 1.364 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.564 0.149 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.895 -1.318 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.853 -1.866 -10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.274 -0.194 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.658 -0.043 -12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.701 -1.794 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.904 -0.854 -12.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.459 -1.665 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.417 0.032 -10.873 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.501 0.899 -9.751 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.429 1.787 -9.335 1.00 0.00 C ATOM 1350 C VAL A 92 -4.061 2.714 -10.495 1.00 0.00 C ATOM 1351 O VAL A 92 -4.090 2.305 -11.655 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.241 0.970 -8.823 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.606 0.215 -7.543 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.732 0.010 -9.900 1.00 0.00 C ATOM 0 H VAL A 92 -5.402 0.523 -10.694 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.755 2.416 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.435 1.664 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.744 -0.358 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.899 0.927 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.435 -0.463 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.888 -0.559 -9.511 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.531 -0.675 -10.184 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.414 0.579 -10.774 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.724 3.946 -10.142 1.00 0.00 N ATOM 1365 CA VAL A 93 -3.351 4.934 -11.140 1.00 0.00 C ATOM 1366 C VAL A 93 -1.934 5.435 -10.851 1.00 0.00 C ATOM 1367 O VAL A 93 -1.564 5.627 -9.694 1.00 0.00 O ATOM 1368 CB VAL A 93 -4.387 6.060 -11.175 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.486 5.762 -12.196 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.980 6.302 -9.785 1.00 0.00 C ATOM 0 H VAL A 93 -3.701 4.282 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.342 4.487 -12.134 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.880 6.973 -11.486 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.209 6.578 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.044 5.663 -13.188 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.989 4.833 -11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.713 7.107 -9.837 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.465 5.392 -9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.185 6.580 -9.094 1.00 0.00 H new ATOM 1380 N SER A 94 -1.180 5.631 -11.923 1.00 0.00 N ATOM 1381 CA SER A 94 0.188 6.105 -11.799 1.00 0.00 C ATOM 1382 C SER A 94 0.206 7.633 -11.710 1.00 0.00 C ATOM 1383 O SER A 94 -0.482 8.311 -12.471 1.00 0.00 O ATOM 1384 CB SER A 94 1.044 5.632 -12.976 1.00 0.00 C ATOM 1385 OG SER A 94 0.603 4.376 -13.485 1.00 0.00 O ATOM 0 H SER A 94 -1.491 5.470 -12.881 1.00 0.00 H new ATOM 0 HA SER A 94 0.613 5.689 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.011 6.377 -13.771 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.084 5.550 -12.659 1.00 0.00 H new ATOM 0 HG SER A 94 1.173 4.109 -14.236 1.00 0.00 H new ATOM 1391 N LEU A 95 1.001 8.129 -10.773 1.00 0.00 N ATOM 1392 CA LEU A 95 1.118 9.564 -10.574 1.00 0.00 C ATOM 1393 C LEU A 95 1.930 10.169 -11.721 1.00 0.00 C ATOM 1394 O LEU A 95 3.126 9.907 -11.846 1.00 0.00 O ATOM 1395 CB LEU A 95 1.690 9.868 -9.188 1.00 0.00 C ATOM 1396 CG LEU A 95 0.946 10.927 -8.373 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.229 10.767 -6.878 1.00 0.00 C ATOM 1398 CD2 LEU A 95 1.277 12.335 -8.871 1.00 0.00 C ATOM 0 H LEU A 95 1.570 7.563 -10.144 1.00 0.00 H new ATOM 0 HA LEU A 95 0.134 10.033 -10.597 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.708 8.942 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.725 10.190 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.124 10.778 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.688 11.532 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.903 9.780 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.298 10.874 -6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.735 13.069 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.349 12.512 -8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.984 12.429 -9.917 1.00 0.00 H new ATOM 1410 N LEU A 96 1.249 10.966 -12.530 1.00 0.00 N ATOM 1411 CA LEU A 96 1.892 11.611 -13.663 1.00 0.00 C ATOM 1412 C LEU A 96 2.406 12.987 -13.236 1.00 0.00 C ATOM 1413 O LEU A 96 2.820 13.786 -14.075 1.00 0.00 O ATOM 1414 CB LEU A 96 0.945 11.653 -14.864 1.00 0.00 C ATOM 1415 CG LEU A 96 1.197 10.608 -15.953 1.00 0.00 C ATOM 1416 CD1 LEU A 96 1.218 9.196 -15.364 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.178 10.741 -17.087 1.00 0.00 C ATOM 0 H LEU A 96 0.257 11.180 -12.424 1.00 0.00 H new ATOM 0 HA LEU A 96 2.757 11.034 -13.989 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.076 11.532 -14.501 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.007 12.643 -15.316 1.00 0.00 H new ATOM 0 HG LEU A 96 2.182 10.792 -16.382 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.399 8.473 -16.159 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.012 9.124 -14.620 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.258 8.984 -14.892 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.380 9.987 -17.848 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.827 10.598 -16.691 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.255 11.734 -17.531 1.00 0.00 H new ATOM 1429 N ASP A 97 2.364 13.222 -11.933 1.00 0.00 N ATOM 1430 CA ASP A 97 2.820 14.488 -11.385 1.00 0.00 C ATOM 1431 C ASP A 97 4.182 14.288 -10.717 1.00 0.00 C ATOM 1432 O ASP A 97 4.560 13.163 -10.395 1.00 0.00 O ATOM 1433 CB ASP A 97 1.847 15.013 -10.328 1.00 0.00 C ATOM 1434 CG ASP A 97 1.854 16.532 -10.141 1.00 0.00 C ATOM 1435 OD1 ASP A 97 1.447 17.224 -11.099 1.00 0.00 O ATOM 1436 OD2 ASP A 97 2.267 16.966 -9.044 1.00 0.00 O ATOM 0 H ASP A 97 2.021 12.557 -11.240 1.00 0.00 H new ATOM 0 HA ASP A 97 2.885 15.206 -12.203 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.838 14.700 -10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.083 14.543 -9.373 1.00 0.00 H new ATOM 1441 N SER A 98 4.881 15.397 -10.528 1.00 0.00 N ATOM 1442 CA SER A 98 6.193 15.358 -9.904 1.00 0.00 C ATOM 1443 C SER A 98 6.369 16.566 -8.981 1.00 0.00 C ATOM 1444 O SER A 98 6.580 16.408 -7.780 1.00 0.00 O ATOM 1445 CB SER A 98 7.303 15.327 -10.956 1.00 0.00 C ATOM 1446 OG SER A 98 8.102 14.152 -10.855 1.00 0.00 O ATOM 0 H SER A 98 4.564 16.329 -10.796 1.00 0.00 H new ATOM 0 HA SER A 98 6.264 14.444 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.861 15.380 -11.951 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.936 16.207 -10.841 1.00 0.00 H new ATOM 0 HG SER A 98 8.798 14.169 -11.545 1.00 0.00 H new ATOM 1452 N THR A 99 6.277 17.745 -9.579 1.00 0.00 N ATOM 1453 CA THR A 99 6.424 18.979 -8.826 1.00 0.00 C ATOM 1454 C THR A 99 7.651 18.905 -7.914 1.00 0.00 C ATOM 1455 O THR A 99 7.578 18.363 -6.812 1.00 0.00 O ATOM 1456 CB THR A 99 5.119 19.229 -8.068 1.00 0.00 C ATOM 1457 OG1 THR A 99 4.226 19.718 -9.065 1.00 0.00 O ATOM 1458 CG2 THR A 99 5.232 20.383 -7.071 1.00 0.00 C ATOM 0 H THR A 99 6.103 17.872 -10.576 1.00 0.00 H new ATOM 0 HA THR A 99 6.600 19.827 -9.488 1.00 0.00 H new ATOM 0 HB THR A 99 4.827 18.321 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.354 19.905 -8.660 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.278 20.518 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 99 6.007 20.156 -6.339 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.492 21.299 -7.602 1.00 0.00 H new ATOM 1466 N SER A 100 8.749 19.457 -8.408 1.00 0.00 N ATOM 1467 CA SER A 100 9.990 19.460 -7.652 1.00 0.00 C ATOM 1468 C SER A 100 9.989 20.616 -6.649 1.00 0.00 C ATOM 1469 O SER A 100 10.200 20.407 -5.455 1.00 0.00 O ATOM 1470 CB SER A 100 11.201 19.565 -8.581 1.00 0.00 C ATOM 1471 OG SER A 100 12.115 18.489 -8.390 1.00 0.00 O ATOM 0 H SER A 100 8.805 19.905 -9.322 1.00 0.00 H new ATOM 0 HA SER A 100 10.062 18.517 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.863 19.574 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.713 20.511 -8.404 1.00 0.00 H new ATOM 0 HG SER A 100 12.873 18.591 -9.002 1.00 0.00 H new ATOM 1477 N SER A 101 9.749 21.810 -7.171 1.00 0.00 N ATOM 1478 CA SER A 101 9.717 22.999 -6.336 1.00 0.00 C ATOM 1479 C SER A 101 10.969 23.055 -5.459 1.00 0.00 C ATOM 1480 O SER A 101 10.875 23.019 -4.233 1.00 0.00 O ATOM 1481 CB SER A 101 8.459 23.028 -5.466 1.00 0.00 C ATOM 1482 OG SER A 101 7.936 24.346 -5.327 1.00 0.00 O ATOM 0 H SER A 101 9.575 21.980 -8.162 1.00 0.00 H new ATOM 0 HA SER A 101 9.696 23.873 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.700 22.381 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.690 22.624 -4.480 1.00 0.00 H new ATOM 0 HG SER A 101 7.133 24.322 -4.766 1.00 0.00 H new ATOM 1488 N MET A 102 12.114 23.144 -6.121 1.00 0.00 N ATOM 1489 CA MET A 102 13.383 23.206 -5.417 1.00 0.00 C ATOM 1490 C MET A 102 13.848 24.654 -5.252 1.00 0.00 C ATOM 1491 O MET A 102 13.689 25.468 -6.160 1.00 0.00 O ATOM 1492 CB MET A 102 14.438 22.416 -6.195 1.00 0.00 C ATOM 1493 CG MET A 102 14.991 21.264 -5.354 1.00 0.00 C ATOM 1494 SD MET A 102 16.194 20.343 -6.297 1.00 0.00 S ATOM 1495 CE MET A 102 16.803 19.242 -5.031 1.00 0.00 C ATOM 0 H MET A 102 12.189 23.175 -7.138 1.00 0.00 H new ATOM 0 HA MET A 102 13.249 22.772 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.000 22.023 -7.113 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.251 23.080 -6.489 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.450 21.654 -4.445 1.00 0.00 H new ATOM 0 HG3 MET A 102 14.179 20.606 -5.044 1.00 0.00 H new ATOM 0 HE1 MET A 102 17.569 18.591 -5.453 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.232 19.826 -4.216 1.00 0.00 H new ATOM 0 HE3 MET A 102 15.981 18.636 -4.650 1.00 0.00 H new ATOM 1505 N HIS A 103 14.414 24.931 -4.087 1.00 0.00 N ATOM 1506 CA HIS A 103 14.903 26.267 -3.791 1.00 0.00 C ATOM 1507 C HIS A 103 16.133 26.565 -4.652 1.00 0.00 C ATOM 1508 O HIS A 103 16.906 25.663 -4.969 1.00 0.00 O ATOM 1509 CB HIS A 103 15.175 26.427 -2.294 1.00 0.00 C ATOM 1510 CG HIS A 103 14.378 27.530 -1.640 1.00 0.00 C ATOM 1511 ND1 HIS A 103 14.741 28.104 -0.434 1.00 0.00 N ATOM 1512 CD2 HIS A 103 13.234 28.159 -2.036 1.00 0.00 C ATOM 1513 CE1 HIS A 103 13.849 29.034 -0.127 1.00 0.00 C ATOM 1514 NE2 HIS A 103 12.916 29.066 -1.121 1.00 0.00 N ATOM 0 H HIS A 103 14.545 24.253 -3.336 1.00 0.00 H new ATOM 0 HA HIS A 103 14.139 27.002 -4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 103 14.953 25.485 -1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 103 16.237 26.624 -2.147 1.00 0.00 H new ATOM 0 HD2 HIS A 103 12.681 27.954 -2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 103 13.859 29.657 0.755 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.106 29.686 -1.156 1.00 0.00 H new ATOM 1522 N ASN A 104 16.274 27.835 -5.005 1.00 0.00 N ATOM 1523 CA ASN A 104 17.396 28.263 -5.823 1.00 0.00 C ATOM 1524 C ASN A 104 17.812 29.676 -5.409 1.00 0.00 C ATOM 1525 O ASN A 104 17.005 30.603 -5.455 1.00 0.00 O ATOM 1526 CB ASN A 104 17.016 28.297 -7.304 1.00 0.00 C ATOM 1527 CG ASN A 104 18.261 28.222 -8.191 1.00 0.00 C ATOM 1528 OD1 ASN A 104 19.339 28.664 -7.830 1.00 0.00 O ATOM 1529 ND2 ASN A 104 18.052 27.641 -9.369 1.00 0.00 N ATOM 0 H ASN A 104 15.630 28.580 -4.740 1.00 0.00 H new ATOM 0 HA ASN A 104 18.211 27.554 -5.676 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.352 27.463 -7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.465 29.212 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.820 27.544 -10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.124 27.292 -9.608 1.00 0.00 H new ATOM 1536 N LYS A 105 19.071 29.796 -5.015 1.00 0.00 N ATOM 1537 CA LYS A 105 19.604 31.081 -4.594 1.00 0.00 C ATOM 1538 C LYS A 105 21.022 31.245 -5.146 1.00 0.00 C ATOM 1539 O LYS A 105 21.635 30.276 -5.590 1.00 0.00 O ATOM 1540 CB LYS A 105 19.516 31.225 -3.073 1.00 0.00 C ATOM 1541 CG LYS A 105 19.020 32.618 -2.682 1.00 0.00 C ATOM 1542 CD LYS A 105 19.998 33.299 -1.722 1.00 0.00 C ATOM 1543 CE LYS A 105 19.255 33.946 -0.551 1.00 0.00 C ATOM 1544 NZ LYS A 105 19.805 33.470 0.737 1.00 0.00 N ATOM 0 H LYS A 105 19.738 29.025 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 105 19.005 31.895 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 105 18.842 30.469 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.496 31.046 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 105 18.898 33.229 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.039 32.540 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 105 20.712 32.567 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 105 20.571 34.056 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 105 19.342 35.031 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 105 18.193 33.708 -0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 19.290 33.918 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 19.699 32.437 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 20.813 33.719 0.797 1.00 0.00 H new ATOM 1558 N SER A 106 21.501 32.480 -5.100 1.00 0.00 N ATOM 1559 CA SER A 106 22.834 32.784 -5.590 1.00 0.00 C ATOM 1560 C SER A 106 23.755 33.135 -4.419 1.00 0.00 C ATOM 1561 O SER A 106 23.286 33.539 -3.356 1.00 0.00 O ATOM 1562 CB SER A 106 22.801 33.931 -6.601 1.00 0.00 C ATOM 1563 OG SER A 106 22.279 35.129 -6.033 1.00 0.00 O ATOM 0 H SER A 106 20.989 33.281 -4.731 1.00 0.00 H new ATOM 0 HA SER A 106 23.222 31.900 -6.097 1.00 0.00 H new ATOM 0 HB2 SER A 106 23.809 34.115 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 106 22.193 33.641 -7.458 1.00 0.00 H new ATOM 0 HG SER A 106 22.276 35.838 -6.710 1.00 0.00 H new ATOM 1569 N GLY A 107 25.048 32.968 -4.654 1.00 0.00 N ATOM 1570 CA GLY A 107 26.038 33.262 -3.632 1.00 0.00 C ATOM 1571 C GLY A 107 25.945 34.722 -3.182 1.00 0.00 C ATOM 1572 O GLY A 107 25.005 35.428 -3.545 1.00 0.00 O ATOM 0 H GLY A 107 25.433 32.633 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 107 25.889 32.604 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.037 33.060 -4.019 1.00 0.00 H new ATOM 1576 N PRO A 108 26.958 35.141 -2.378 1.00 0.00 N ATOM 1577 CA PRO A 108 27.000 36.504 -1.875 1.00 0.00 C ATOM 1578 C PRO A 108 27.421 37.481 -2.974 1.00 0.00 C ATOM 1579 O PRO A 108 28.563 37.454 -3.429 1.00 0.00 O ATOM 1580 CB PRO A 108 27.975 36.464 -0.710 1.00 0.00 C ATOM 1581 CG PRO A 108 28.793 35.195 -0.894 1.00 0.00 C ATOM 1582 CD PRO A 108 28.087 34.333 -1.928 1.00 0.00 C ATOM 0 HA PRO A 108 26.024 36.862 -1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 108 28.617 37.345 -0.707 1.00 0.00 H new ATOM 0 HB3 PRO A 108 27.445 36.452 0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 108 29.804 35.436 -1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 108 28.885 34.660 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 108 28.751 34.085 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 108 27.751 33.391 -1.495 1.00 0.00 H new ATOM 1590 N SER A 109 26.475 38.322 -3.368 1.00 0.00 N ATOM 1591 CA SER A 109 26.734 39.307 -4.404 1.00 0.00 C ATOM 1592 C SER A 109 25.812 40.514 -4.222 1.00 0.00 C ATOM 1593 O SER A 109 24.694 40.528 -4.735 1.00 0.00 O ATOM 1594 CB SER A 109 26.547 38.702 -5.797 1.00 0.00 C ATOM 1595 OG SER A 109 27.539 39.156 -6.714 1.00 0.00 O ATOM 0 H SER A 109 25.529 38.341 -2.988 1.00 0.00 H new ATOM 0 HA SER A 109 27.770 39.633 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.587 37.615 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 109 25.558 38.961 -6.175 1.00 0.00 H new ATOM 0 HG SER A 109 27.386 38.746 -7.591 1.00 0.00 H new ATOM 1601 N SER A 110 26.314 41.497 -3.490 1.00 0.00 N ATOM 1602 CA SER A 110 25.549 42.705 -3.233 1.00 0.00 C ATOM 1603 C SER A 110 24.401 42.403 -2.268 1.00 0.00 C ATOM 1604 O SER A 110 24.463 42.761 -1.093 1.00 0.00 O ATOM 1605 CB SER A 110 25.006 43.300 -4.534 1.00 0.00 C ATOM 1606 OG SER A 110 25.517 44.607 -4.778 1.00 0.00 O ATOM 0 H SER A 110 27.242 41.482 -3.066 1.00 0.00 H new ATOM 0 HA SER A 110 26.213 43.440 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 110 25.267 42.648 -5.367 1.00 0.00 H new ATOM 0 HB3 SER A 110 23.918 43.339 -4.488 1.00 0.00 H new ATOM 0 HG SER A 110 25.148 44.951 -5.618 1.00 0.00 H new ATOM 1612 N GLY A 111 23.381 41.746 -2.800 1.00 0.00 N ATOM 1613 CA GLY A 111 22.221 41.392 -2.000 1.00 0.00 C ATOM 1614 C GLY A 111 21.054 42.343 -2.274 1.00 0.00 C ATOM 1615 O GLY A 111 20.426 42.272 -3.330 1.00 0.00 O ATOM 0 H GLY A 111 23.334 41.450 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 111 21.920 40.368 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 111 22.481 41.425 -0.942 1.00 0.00 H new TER 1619 GLY A 111