USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 672 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= -0.207 USER MOD Set 2.1: A 17 HIS : no HD1:sc= -1.02 K(o=-6.6,f=-7.4) USER MOD Set 2.2: A 81 GLN :FLIP amide:sc= -5.62! C(o=-7.4!,f=-6.6!) USER MOD Set 3.1: A 16 ASN : amide:sc= -4.31! C(o=-4.3!,f=-18!) USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -152:sc= 0.113 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -65:sc= 0.01 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -135:sc= -0.245 (180deg=-0.766) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= -0.0736 (180deg=-0.44) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0749 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00289 USER MOD Single : A 66 GLN : amide:sc= 0.0284 X(o=0.028,f=-0.016) USER MOD Single : A 67 THR OG1 : rot -10:sc= 0.833 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 85:sc= 0.226 USER MOD Single : A 73 HIS : no HE2:sc= -5.1! C(o=-5.1!,f=-5.7!) USER MOD Single : A 75 MET CE :methyl -106:sc= -6.17! (180deg=-9.16!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 159:sc= -0.0737 (180deg=-0.474) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.652 13.335 20.574 1.00 0.00 N ATOM 2 CA GLY A 1 -0.468 13.485 19.142 1.00 0.00 C ATOM 3 C GLY A 1 0.983 13.711 18.765 1.00 0.00 C ATOM 4 O GLY A 1 1.326 14.734 18.172 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.660 13.183 20.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.103 12.519 20.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.326 14.196 21.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.837 12.593 18.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.067 14.324 18.788 1.00 0.00 H new ATOM 8 N SER A 2 1.838 12.754 19.110 1.00 0.00 N ATOM 9 CA SER A 2 3.261 12.855 18.808 1.00 0.00 C ATOM 10 C SER A 2 3.704 11.717 17.892 1.00 0.00 C ATOM 11 O SER A 2 3.794 10.565 18.314 1.00 0.00 O ATOM 12 CB SER A 2 4.080 12.833 20.100 1.00 0.00 C ATOM 13 OG SER A 2 5.444 13.123 19.844 1.00 0.00 O ATOM 0 H SER A 2 1.570 11.900 19.599 1.00 0.00 H new ATOM 0 HA SER A 2 3.432 13.800 18.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.676 13.561 20.803 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.995 11.854 20.571 1.00 0.00 H new ATOM 0 HG SER A 2 5.946 13.105 20.686 1.00 0.00 H new ATOM 19 N SER A 3 3.981 12.053 16.636 1.00 0.00 N ATOM 20 CA SER A 3 4.411 11.061 15.658 1.00 0.00 C ATOM 21 C SER A 3 5.828 11.354 15.174 1.00 0.00 C ATOM 22 O SER A 3 6.044 12.246 14.354 1.00 0.00 O ATOM 23 CB SER A 3 3.449 11.035 14.468 1.00 0.00 C ATOM 24 OG SER A 3 2.206 10.457 14.830 1.00 0.00 O ATOM 0 H SER A 3 3.915 13.004 16.272 1.00 0.00 H new ATOM 0 HA SER A 3 4.405 10.084 16.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.289 12.050 14.103 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.893 10.468 13.650 1.00 0.00 H new ATOM 0 HG SER A 3 1.608 10.453 14.053 1.00 0.00 H new ATOM 30 N GLY A 4 6.791 10.595 15.688 1.00 0.00 N ATOM 31 CA GLY A 4 8.176 10.788 15.298 1.00 0.00 C ATOM 32 C GLY A 4 8.587 9.885 14.153 1.00 0.00 C ATOM 33 O GLY A 4 8.928 8.722 14.362 1.00 0.00 O ATOM 0 H GLY A 4 6.637 9.850 16.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.327 11.828 15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.821 10.599 16.156 1.00 0.00 H new ATOM 37 N SER A 5 8.553 10.422 12.936 1.00 0.00 N ATOM 38 CA SER A 5 8.920 9.653 11.752 1.00 0.00 C ATOM 39 C SER A 5 10.224 10.170 11.152 1.00 0.00 C ATOM 40 O SER A 5 10.511 11.366 11.200 1.00 0.00 O ATOM 41 CB SER A 5 7.803 9.720 10.709 1.00 0.00 C ATOM 42 OG SER A 5 6.715 8.888 11.072 1.00 0.00 O ATOM 0 H SER A 5 8.276 11.385 12.745 1.00 0.00 H new ATOM 0 HA SER A 5 9.065 8.615 12.052 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.459 10.749 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.190 9.414 9.737 1.00 0.00 H new ATOM 0 HG SER A 5 6.246 8.592 10.264 1.00 0.00 H new ATOM 48 N SER A 6 11.010 9.259 10.586 1.00 0.00 N ATOM 49 CA SER A 6 12.285 9.621 9.979 1.00 0.00 C ATOM 50 C SER A 6 12.551 8.782 8.733 1.00 0.00 C ATOM 51 O SER A 6 11.873 7.787 8.485 1.00 0.00 O ATOM 52 CB SER A 6 13.424 9.436 10.985 1.00 0.00 C ATOM 53 OG SER A 6 13.148 10.116 12.198 1.00 0.00 O ATOM 0 H SER A 6 10.786 8.265 10.535 1.00 0.00 H new ATOM 0 HA SER A 6 12.235 10.670 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.569 8.374 11.184 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.355 9.810 10.558 1.00 0.00 H new ATOM 0 HG SER A 6 13.889 9.981 12.825 1.00 0.00 H new ATOM 59 N GLY A 7 13.545 9.194 7.951 1.00 0.00 N ATOM 60 CA GLY A 7 13.884 8.470 6.740 1.00 0.00 C ATOM 61 C GLY A 7 13.107 8.961 5.535 1.00 0.00 C ATOM 62 O GLY A 7 12.027 9.538 5.659 1.00 0.00 O ATOM 0 H GLY A 7 14.121 10.016 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.952 8.572 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.687 7.408 6.888 1.00 0.00 H new ATOM 66 N PRO A 8 13.662 8.733 4.335 1.00 0.00 N ATOM 67 CA PRO A 8 13.030 9.149 3.079 1.00 0.00 C ATOM 68 C PRO A 8 11.779 8.339 2.763 1.00 0.00 C ATOM 69 O PRO A 8 11.643 7.194 3.194 1.00 0.00 O ATOM 70 CB PRO A 8 14.116 8.887 2.032 1.00 0.00 C ATOM 71 CG PRO A 8 14.964 7.815 2.627 1.00 0.00 C ATOM 72 CD PRO A 8 14.947 8.051 4.113 1.00 0.00 C ATOM 0 HA PRO A 8 12.695 10.185 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.683 8.569 1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.698 9.787 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.572 6.827 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.981 7.859 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.007 7.115 4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.789 8.666 4.432 1.00 0.00 H new ATOM 80 N ALA A 9 10.865 8.940 2.006 1.00 0.00 N ATOM 81 CA ALA A 9 9.625 8.272 1.631 1.00 0.00 C ATOM 82 C ALA A 9 9.680 7.786 0.187 1.00 0.00 C ATOM 83 O ALA A 9 10.187 8.480 -0.693 1.00 0.00 O ATOM 84 CB ALA A 9 8.441 9.207 1.831 1.00 0.00 C ATOM 0 H ALA A 9 10.961 9.888 1.641 1.00 0.00 H new ATOM 0 HA ALA A 9 9.499 7.402 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.521 8.695 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.383 9.502 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.569 10.094 1.211 1.00 0.00 H new ATOM 90 N ARG A 10 9.154 6.588 -0.049 1.00 0.00 N ATOM 91 CA ARG A 10 9.144 6.008 -1.387 1.00 0.00 C ATOM 92 C ARG A 10 7.737 6.026 -1.977 1.00 0.00 C ATOM 93 O ARG A 10 6.737 5.916 -1.266 1.00 0.00 O ATOM 94 CB ARG A 10 9.674 4.573 -1.347 1.00 0.00 C ATOM 95 CG ARG A 10 11.058 4.453 -0.729 1.00 0.00 C ATOM 96 CD ARG A 10 12.102 5.191 -1.551 1.00 0.00 C ATOM 97 NE ARG A 10 13.463 4.844 -1.147 1.00 0.00 N ATOM 98 CZ ARG A 10 14.549 5.384 -1.686 1.00 0.00 C ATOM 99 NH1 ARG A 10 14.437 6.291 -2.647 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.753 5.017 -1.264 1.00 0.00 N ATOM 0 H ARG A 10 8.729 6.001 0.669 1.00 0.00 H new ATOM 0 HA ARG A 10 9.793 6.611 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.978 3.953 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.703 4.177 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.041 4.854 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.332 3.401 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.966 4.955 -2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.955 6.266 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 10 13.585 4.149 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.514 6.576 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.274 6.704 -3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.844 4.320 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.587 5.432 -1.679 1.00 0.00 H new ATOM 114 N PRO A 11 7.655 6.167 -3.309 1.00 0.00 N ATOM 115 CA PRO A 11 6.376 6.202 -4.024 1.00 0.00 C ATOM 116 C PRO A 11 5.676 4.848 -4.026 1.00 0.00 C ATOM 117 O PRO A 11 6.323 3.803 -4.114 1.00 0.00 O ATOM 118 CB PRO A 11 6.776 6.600 -5.447 1.00 0.00 C ATOM 119 CG PRO A 11 8.190 6.151 -5.582 1.00 0.00 C ATOM 120 CD PRO A 11 8.805 6.304 -4.218 1.00 0.00 C ATOM 0 HA PRO A 11 5.667 6.887 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.136 6.120 -6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.686 7.676 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.240 5.116 -5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.722 6.752 -6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.560 5.540 -4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.295 7.271 -4.104 1.00 0.00 H new ATOM 128 N PHE A 12 4.351 4.871 -3.930 1.00 0.00 N ATOM 129 CA PHE A 12 3.563 3.644 -3.921 1.00 0.00 C ATOM 130 C PHE A 12 2.204 3.866 -4.578 1.00 0.00 C ATOM 131 O PHE A 12 1.629 4.952 -4.489 1.00 0.00 O ATOM 132 CB PHE A 12 3.375 3.145 -2.487 1.00 0.00 C ATOM 133 CG PHE A 12 4.667 2.865 -1.775 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.561 1.931 -2.276 1.00 0.00 C ATOM 135 CD2 PHE A 12 4.987 3.532 -0.605 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.751 1.672 -1.623 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.176 3.277 0.052 1.00 0.00 C ATOM 138 CZ PHE A 12 7.059 2.345 -0.457 1.00 0.00 C ATOM 0 H PHE A 12 3.800 5.726 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 12 4.103 2.889 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.813 3.889 -1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.774 2.236 -2.503 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.325 1.400 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.299 4.260 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.440 0.944 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.414 3.806 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.988 2.143 0.055 1.00 0.00 H new ATOM 148 N ARG A 13 1.695 2.829 -5.235 1.00 0.00 N ATOM 149 CA ARG A 13 0.404 2.910 -5.908 1.00 0.00 C ATOM 150 C ARG A 13 -0.646 2.082 -5.173 1.00 0.00 C ATOM 151 O ARG A 13 -0.391 0.942 -4.783 1.00 0.00 O ATOM 152 CB ARG A 13 0.528 2.428 -7.355 1.00 0.00 C ATOM 153 CG ARG A 13 1.190 3.438 -8.278 1.00 0.00 C ATOM 154 CD ARG A 13 1.069 3.022 -9.737 1.00 0.00 C ATOM 155 NE ARG A 13 1.803 3.920 -10.624 1.00 0.00 N ATOM 156 CZ ARG A 13 2.050 3.651 -11.901 1.00 0.00 C ATOM 157 NH1 ARG A 13 1.622 2.515 -12.438 1.00 0.00 N ATOM 158 NH2 ARG A 13 2.724 4.518 -12.646 1.00 0.00 N ATOM 0 H ARG A 13 2.157 1.923 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 13 0.086 3.953 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.102 1.501 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.466 2.195 -7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.730 4.416 -8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.243 3.539 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.446 2.006 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.018 3.008 -10.024 1.00 0.00 H new ATOM 0 HE ARG A 13 2.145 4.802 -10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.102 1.846 -11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.813 2.311 -13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.053 5.393 -12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.913 4.309 -13.626 1.00 0.00 H new ATOM 172 N VAL A 14 -1.827 2.663 -4.987 1.00 0.00 N ATOM 173 CA VAL A 14 -2.915 1.979 -4.300 1.00 0.00 C ATOM 174 C VAL A 14 -4.144 1.864 -5.194 1.00 0.00 C ATOM 175 O VAL A 14 -4.398 2.728 -6.033 1.00 0.00 O ATOM 176 CB VAL A 14 -3.306 2.710 -3.001 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.210 1.834 -2.147 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.062 3.122 -2.227 1.00 0.00 C ATOM 0 H VAL A 14 -2.054 3.606 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.554 0.981 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.858 3.612 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.476 2.367 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.116 1.594 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.687 0.913 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.356 3.637 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.481 2.235 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.456 3.789 -2.840 1.00 0.00 H new ATOM 188 N SER A 15 -4.905 0.790 -5.009 1.00 0.00 N ATOM 189 CA SER A 15 -6.107 0.559 -5.802 1.00 0.00 C ATOM 190 C SER A 15 -7.193 -0.107 -4.962 1.00 0.00 C ATOM 191 O SER A 15 -6.904 -0.927 -4.092 1.00 0.00 O ATOM 192 CB SER A 15 -5.782 -0.310 -7.018 1.00 0.00 C ATOM 193 OG SER A 15 -4.764 0.279 -7.809 1.00 0.00 O ATOM 0 H SER A 15 -4.711 0.066 -4.317 1.00 0.00 H new ATOM 0 HA SER A 15 -6.478 1.525 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.464 -1.299 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.680 -0.449 -7.620 1.00 0.00 H new ATOM 0 HG SER A 15 -5.090 1.123 -8.187 1.00 0.00 H new ATOM 199 N ASN A 16 -8.444 0.253 -5.230 1.00 0.00 N ATOM 200 CA ASN A 16 -9.574 -0.309 -4.499 1.00 0.00 C ATOM 201 C ASN A 16 -9.715 -1.802 -4.779 1.00 0.00 C ATOM 202 O ASN A 16 -9.001 -2.358 -5.614 1.00 0.00 O ATOM 203 CB ASN A 16 -10.866 0.418 -4.879 1.00 0.00 C ATOM 204 CG ASN A 16 -11.259 0.181 -6.324 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.860 -0.812 -6.933 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.045 1.095 -6.881 1.00 0.00 N ATOM 0 H ASN A 16 -8.701 0.931 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.389 -0.174 -3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.673 0.084 -4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.741 1.488 -4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.342 0.989 -7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.352 1.903 -6.339 1.00 0.00 H new ATOM 213 N HIS A 17 -10.643 -2.445 -4.077 1.00 0.00 N ATOM 214 CA HIS A 17 -10.880 -3.873 -4.251 1.00 0.00 C ATOM 215 C HIS A 17 -11.184 -4.199 -5.710 1.00 0.00 C ATOM 216 O HIS A 17 -10.740 -5.222 -6.234 1.00 0.00 O ATOM 217 CB HIS A 17 -12.035 -4.332 -3.362 1.00 0.00 C ATOM 218 CG HIS A 17 -13.364 -3.777 -3.772 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.150 -4.348 -4.751 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.046 -2.695 -3.328 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.256 -3.640 -4.892 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.219 -2.632 -4.040 1.00 0.00 N ATOM 0 H HIS A 17 -11.243 -1.999 -3.383 1.00 0.00 H new ATOM 0 HA HIS A 17 -9.974 -4.405 -3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.085 -5.421 -3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.830 -4.038 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.727 -2.009 -2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.056 -3.850 -5.587 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.943 -1.922 -3.929 1.00 0.00 H new ATOM 231 N ASP A 18 -11.945 -3.326 -6.360 1.00 0.00 N ATOM 232 CA ASP A 18 -12.309 -3.521 -7.759 1.00 0.00 C ATOM 233 C ASP A 18 -11.172 -3.093 -8.682 1.00 0.00 C ATOM 234 O ASP A 18 -11.339 -3.027 -9.899 1.00 0.00 O ATOM 235 CB ASP A 18 -13.578 -2.733 -8.092 1.00 0.00 C ATOM 236 CG ASP A 18 -14.265 -3.247 -9.342 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.217 -4.471 -9.587 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.853 -2.425 -10.075 1.00 0.00 O ATOM 0 H ASP A 18 -12.322 -2.476 -5.941 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.498 -4.583 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.269 -2.790 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.325 -1.681 -8.226 1.00 0.00 H new ATOM 243 N ARG A 19 -10.017 -2.802 -8.092 1.00 0.00 N ATOM 244 CA ARG A 19 -8.853 -2.377 -8.861 1.00 0.00 C ATOM 245 C ARG A 19 -9.252 -1.380 -9.945 1.00 0.00 C ATOM 246 O ARG A 19 -8.870 -1.525 -11.106 1.00 0.00 O ATOM 247 CB ARG A 19 -8.165 -3.587 -9.494 1.00 0.00 C ATOM 248 CG ARG A 19 -7.203 -4.300 -8.558 1.00 0.00 C ATOM 249 CD ARG A 19 -6.701 -5.604 -9.160 1.00 0.00 C ATOM 250 NE ARG A 19 -5.798 -5.375 -10.284 1.00 0.00 N ATOM 251 CZ ARG A 19 -4.902 -6.264 -10.699 1.00 0.00 C ATOM 252 NH1 ARG A 19 -4.791 -7.434 -10.085 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.115 -5.983 -11.730 1.00 0.00 N ATOM 0 H ARG A 19 -9.862 -2.853 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.157 -1.887 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.925 -4.294 -9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.622 -3.262 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.356 -3.649 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.700 -4.504 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.186 -6.183 -8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.550 -6.200 -9.493 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.858 -4.484 -10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.394 -7.653 -9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.102 -8.115 -10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.198 -5.084 -12.205 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.427 -6.666 -12.048 1.00 0.00 H new ATOM 267 N SER A 20 -10.022 -0.368 -9.557 1.00 0.00 N ATOM 268 CA SER A 20 -10.475 0.650 -10.496 1.00 0.00 C ATOM 269 C SER A 20 -9.877 2.011 -10.152 1.00 0.00 C ATOM 270 O SER A 20 -9.563 2.806 -11.039 1.00 0.00 O ATOM 271 CB SER A 20 -12.002 0.736 -10.490 1.00 0.00 C ATOM 272 OG SER A 20 -12.493 1.190 -11.740 1.00 0.00 O ATOM 0 H SER A 20 -10.345 -0.232 -8.599 1.00 0.00 H new ATOM 0 HA SER A 20 -10.138 0.365 -11.493 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.424 -0.244 -10.264 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.328 1.413 -9.700 1.00 0.00 H new ATOM 0 HG SER A 20 -13.472 1.235 -11.710 1.00 0.00 H new ATOM 278 N SER A 21 -9.724 2.274 -8.858 1.00 0.00 N ATOM 279 CA SER A 21 -9.167 3.539 -8.396 1.00 0.00 C ATOM 280 C SER A 21 -7.645 3.473 -8.334 1.00 0.00 C ATOM 281 O SER A 21 -7.062 2.392 -8.257 1.00 0.00 O ATOM 282 CB SER A 21 -9.731 3.895 -7.018 1.00 0.00 C ATOM 283 OG SER A 21 -11.058 4.379 -7.119 1.00 0.00 O ATOM 0 H SER A 21 -9.978 1.627 -8.111 1.00 0.00 H new ATOM 0 HA SER A 21 -9.450 4.314 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.710 3.015 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.100 4.649 -6.548 1.00 0.00 H new ATOM 0 HG SER A 21 -11.395 4.597 -6.225 1.00 0.00 H new ATOM 289 N ARG A 22 -7.006 4.638 -8.369 1.00 0.00 N ATOM 290 CA ARG A 22 -5.551 4.714 -8.317 1.00 0.00 C ATOM 291 C ARG A 22 -5.098 5.922 -7.504 1.00 0.00 C ATOM 292 O ARG A 22 -5.320 7.067 -7.898 1.00 0.00 O ATOM 293 CB ARG A 22 -4.973 4.793 -9.732 1.00 0.00 C ATOM 294 CG ARG A 22 -5.412 3.650 -10.633 1.00 0.00 C ATOM 295 CD ARG A 22 -5.465 4.079 -12.091 1.00 0.00 C ATOM 296 NE ARG A 22 -6.702 4.784 -12.410 1.00 0.00 N ATOM 297 CZ ARG A 22 -7.178 4.913 -13.644 1.00 0.00 C ATOM 298 NH1 ARG A 22 -6.523 4.387 -14.668 1.00 0.00 N ATOM 299 NH2 ARG A 22 -8.312 5.570 -13.853 1.00 0.00 N ATOM 0 H ARG A 22 -7.473 5.542 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.182 3.811 -7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.272 5.738 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.885 4.799 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.722 2.813 -10.524 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.394 3.296 -10.321 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.614 4.724 -12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.373 3.201 -12.731 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.231 5.201 -11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.651 3.882 -14.510 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.890 4.487 -15.614 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.819 5.976 -13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.677 5.669 -14.800 1.00 0.00 H new ATOM 313 N ARG A 23 -4.462 5.659 -6.367 1.00 0.00 N ATOM 314 CA ARG A 23 -3.979 6.724 -5.497 1.00 0.00 C ATOM 315 C ARG A 23 -2.515 6.503 -5.127 1.00 0.00 C ATOM 316 O ARG A 23 -2.144 5.442 -4.625 1.00 0.00 O ATOM 317 CB ARG A 23 -4.830 6.803 -4.229 1.00 0.00 C ATOM 318 CG ARG A 23 -4.937 8.204 -3.651 1.00 0.00 C ATOM 319 CD ARG A 23 -3.642 8.629 -2.978 1.00 0.00 C ATOM 320 NE ARG A 23 -3.442 10.075 -3.036 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.559 10.726 -2.288 1.00 0.00 C ATOM 322 NH1 ARG A 23 -1.796 10.063 -1.430 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.436 12.042 -2.399 1.00 0.00 N ATOM 0 H ARG A 23 -4.269 4.717 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.061 7.666 -6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.831 6.434 -4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.405 6.140 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.184 8.909 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.752 8.239 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.652 8.306 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.802 8.128 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.012 10.614 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.887 9.051 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.118 10.565 -0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.020 12.555 -3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.757 12.541 -1.824 1.00 0.00 H new ATOM 337 N GLY A 24 -1.686 7.512 -5.379 1.00 0.00 N ATOM 338 CA GLY A 24 -0.273 7.406 -5.067 1.00 0.00 C ATOM 339 C GLY A 24 0.074 8.038 -3.734 1.00 0.00 C ATOM 340 O GLY A 24 -0.221 9.210 -3.497 1.00 0.00 O ATOM 0 H GLY A 24 -1.968 8.400 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.015 6.355 -5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.307 7.886 -5.855 1.00 0.00 H new ATOM 344 N VAL A 25 0.703 7.259 -2.858 1.00 0.00 N ATOM 345 CA VAL A 25 1.091 7.749 -1.541 1.00 0.00 C ATOM 346 C VAL A 25 2.591 7.595 -1.317 1.00 0.00 C ATOM 347 O VAL A 25 3.195 6.612 -1.744 1.00 0.00 O ATOM 348 CB VAL A 25 0.338 7.005 -0.422 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.529 7.712 0.911 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.139 6.885 -0.764 1.00 0.00 C ATOM 0 H VAL A 25 0.954 6.287 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 25 0.828 8.806 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 25 0.751 6.000 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.010 7.172 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.590 7.742 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.144 8.729 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.656 6.357 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.568 7.880 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.253 6.332 -1.696 1.00 0.00 H new ATOM 360 N MET A 26 3.187 8.575 -0.645 1.00 0.00 N ATOM 361 CA MET A 26 4.618 8.548 -0.363 1.00 0.00 C ATOM 362 C MET A 26 4.874 8.417 1.135 1.00 0.00 C ATOM 363 O MET A 26 4.708 9.376 1.888 1.00 0.00 O ATOM 364 CB MET A 26 5.288 9.814 -0.899 1.00 0.00 C ATOM 365 CG MET A 26 5.390 9.853 -2.415 1.00 0.00 C ATOM 366 SD MET A 26 6.793 10.827 -2.992 1.00 0.00 S ATOM 367 CE MET A 26 8.113 9.620 -2.880 1.00 0.00 C ATOM 0 H MET A 26 2.702 9.397 -0.286 1.00 0.00 H new ATOM 0 HA MET A 26 5.046 7.680 -0.864 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.727 10.684 -0.558 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.288 9.894 -0.474 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.478 8.835 -2.796 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.470 10.269 -2.827 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.988 10.079 -2.420 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.785 8.777 -2.272 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.370 9.268 -3.879 1.00 0.00 H new ATOM 377 N ALA A 27 5.278 7.225 1.560 1.00 0.00 N ATOM 378 CA ALA A 27 5.559 6.970 2.967 1.00 0.00 C ATOM 379 C ALA A 27 6.972 6.431 3.156 1.00 0.00 C ATOM 380 O ALA A 27 7.599 5.959 2.208 1.00 0.00 O ATOM 381 CB ALA A 27 4.539 5.997 3.541 1.00 0.00 C ATOM 0 H ALA A 27 5.418 6.420 0.949 1.00 0.00 H new ATOM 0 HA ALA A 27 5.485 7.916 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.761 5.816 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.539 6.422 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.585 5.056 2.993 1.00 0.00 H new ATOM 387 N SER A 28 7.470 6.506 4.387 1.00 0.00 N ATOM 388 CA SER A 28 8.812 6.029 4.700 1.00 0.00 C ATOM 389 C SER A 28 8.777 4.581 5.179 1.00 0.00 C ATOM 390 O SER A 28 9.801 3.899 5.203 1.00 0.00 O ATOM 391 CB SER A 28 9.455 6.916 5.767 1.00 0.00 C ATOM 392 OG SER A 28 8.839 6.725 7.028 1.00 0.00 O ATOM 0 H SER A 28 6.964 6.893 5.184 1.00 0.00 H new ATOM 0 HA SER A 28 9.409 6.077 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.519 6.689 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.372 7.962 5.473 1.00 0.00 H new ATOM 0 HG SER A 28 9.269 7.302 7.693 1.00 0.00 H new ATOM 398 N SER A 29 7.590 4.120 5.560 1.00 0.00 N ATOM 399 CA SER A 29 7.419 2.754 6.043 1.00 0.00 C ATOM 400 C SER A 29 6.021 2.235 5.722 1.00 0.00 C ATOM 401 O SER A 29 5.233 2.908 5.057 1.00 0.00 O ATOM 402 CB SER A 29 7.665 2.691 7.552 1.00 0.00 C ATOM 403 OG SER A 29 8.710 3.568 7.936 1.00 0.00 O ATOM 0 H SER A 29 6.732 4.672 5.544 1.00 0.00 H new ATOM 0 HA SER A 29 8.147 2.121 5.536 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.751 2.955 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.918 1.671 7.840 1.00 0.00 H new ATOM 0 HG SER A 29 8.846 3.510 8.905 1.00 0.00 H new ATOM 409 N LEU A 30 5.722 1.031 6.198 1.00 0.00 N ATOM 410 CA LEU A 30 4.419 0.418 5.962 1.00 0.00 C ATOM 411 C LEU A 30 3.338 1.098 6.796 1.00 0.00 C ATOM 412 O LEU A 30 2.384 1.657 6.257 1.00 0.00 O ATOM 413 CB LEU A 30 4.469 -1.075 6.289 1.00 0.00 C ATOM 414 CG LEU A 30 3.126 -1.740 6.596 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.310 -1.907 5.323 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.340 -3.085 7.275 1.00 0.00 C ATOM 0 H LEU A 30 6.363 0.460 6.749 1.00 0.00 H new ATOM 0 HA LEU A 30 4.171 0.544 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.926 -1.596 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.127 -1.217 7.147 1.00 0.00 H new ATOM 0 HG LEU A 30 2.570 -1.096 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.358 -2.382 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.127 -0.929 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.860 -2.530 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.374 -3.544 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.916 -3.737 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.884 -2.939 8.208 1.00 0.00 H new ATOM 428 N GLN A 31 3.497 1.048 8.115 1.00 0.00 N ATOM 429 CA GLN A 31 2.535 1.660 9.024 1.00 0.00 C ATOM 430 C GLN A 31 2.123 3.042 8.529 1.00 0.00 C ATOM 431 O GLN A 31 0.938 3.376 8.510 1.00 0.00 O ATOM 432 CB GLN A 31 3.128 1.766 10.431 1.00 0.00 C ATOM 433 CG GLN A 31 2.217 2.472 11.423 1.00 0.00 C ATOM 434 CD GLN A 31 1.065 1.599 11.882 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.240 0.710 12.716 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.120 1.849 11.337 1.00 0.00 N ATOM 0 H GLN A 31 4.282 0.590 8.578 1.00 0.00 H new ATOM 0 HA GLN A 31 1.649 1.026 9.057 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.347 0.764 10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.077 2.300 10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.801 2.782 12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.821 3.378 10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.218 2.596 10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.932 1.294 11.606 1.00 0.00 H new ATOM 445 N GLU A 32 3.107 3.841 8.129 1.00 0.00 N ATOM 446 CA GLU A 32 2.843 5.187 7.634 1.00 0.00 C ATOM 447 C GLU A 32 1.917 5.150 6.422 1.00 0.00 C ATOM 448 O GLU A 32 0.912 5.859 6.372 1.00 0.00 O ATOM 449 CB GLU A 32 4.155 5.886 7.268 1.00 0.00 C ATOM 450 CG GLU A 32 3.965 7.294 6.730 1.00 0.00 C ATOM 451 CD GLU A 32 5.150 8.194 7.020 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.626 8.194 8.175 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.601 8.898 6.093 1.00 0.00 O ATOM 0 H GLU A 32 4.093 3.580 8.138 1.00 0.00 H new ATOM 0 HA GLU A 32 2.350 5.748 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.794 5.926 8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.679 5.289 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.803 7.249 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.067 7.729 7.169 1.00 0.00 H new ATOM 460 N LEU A 33 2.265 4.320 5.445 1.00 0.00 N ATOM 461 CA LEU A 33 1.467 4.190 4.231 1.00 0.00 C ATOM 462 C LEU A 33 0.023 3.830 4.565 1.00 0.00 C ATOM 463 O LEU A 33 -0.895 4.615 4.322 1.00 0.00 O ATOM 464 CB LEU A 33 2.069 3.126 3.312 1.00 0.00 C ATOM 465 CG LEU A 33 1.313 2.856 2.010 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.190 1.859 2.242 1.00 0.00 C ATOM 467 CD2 LEU A 33 0.768 4.154 1.433 1.00 0.00 C ATOM 0 H LEU A 33 3.094 3.727 5.470 1.00 0.00 H new ATOM 0 HA LEU A 33 1.474 5.151 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.087 3.425 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.139 2.191 3.869 1.00 0.00 H new ATOM 0 HG LEU A 33 2.008 2.425 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.337 1.679 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.606 0.921 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.506 2.260 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.233 3.944 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.087 4.613 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.593 4.836 1.229 1.00 0.00 H new ATOM 479 N ILE A 34 -0.172 2.641 5.123 1.00 0.00 N ATOM 480 CA ILE A 34 -1.504 2.179 5.494 1.00 0.00 C ATOM 481 C ILE A 34 -2.353 3.326 6.032 1.00 0.00 C ATOM 482 O ILE A 34 -3.454 3.579 5.542 1.00 0.00 O ATOM 483 CB ILE A 34 -1.439 1.063 6.553 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.815 -0.200 5.958 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.828 0.768 7.097 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.376 -1.205 6.998 1.00 0.00 C ATOM 0 H ILE A 34 0.576 1.979 5.329 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.964 1.783 4.589 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.811 1.401 7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.536 -0.672 5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.045 0.081 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.766 -0.023 7.844 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.238 1.668 7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.477 0.447 6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.057 -2.075 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.369 -0.751 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.237 -1.515 7.590 1.00 0.00 H new ATOM 498 N SER A 35 -1.832 4.019 7.039 1.00 0.00 N ATOM 499 CA SER A 35 -2.543 5.139 7.644 1.00 0.00 C ATOM 500 C SER A 35 -2.840 6.219 6.608 1.00 0.00 C ATOM 501 O SER A 35 -3.893 6.855 6.641 1.00 0.00 O ATOM 502 CB SER A 35 -1.724 5.730 8.793 1.00 0.00 C ATOM 503 OG SER A 35 -2.428 6.778 9.436 1.00 0.00 O ATOM 0 H SER A 35 -0.920 3.825 7.453 1.00 0.00 H new ATOM 0 HA SER A 35 -3.489 4.766 8.036 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.489 4.949 9.516 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.775 6.106 8.411 1.00 0.00 H new ATOM 0 HG SER A 35 -1.883 7.137 10.167 1.00 0.00 H new ATOM 509 N LYS A 36 -1.903 6.419 5.688 1.00 0.00 N ATOM 510 CA LYS A 36 -2.062 7.420 4.639 1.00 0.00 C ATOM 511 C LYS A 36 -3.164 7.018 3.666 1.00 0.00 C ATOM 512 O LYS A 36 -4.113 7.770 3.440 1.00 0.00 O ATOM 513 CB LYS A 36 -0.745 7.611 3.884 1.00 0.00 C ATOM 514 CG LYS A 36 0.271 8.455 4.635 1.00 0.00 C ATOM 515 CD LYS A 36 1.295 9.064 3.694 1.00 0.00 C ATOM 516 CE LYS A 36 1.875 10.352 4.258 1.00 0.00 C ATOM 517 NZ LYS A 36 0.859 11.440 4.309 1.00 0.00 N ATOM 0 H LYS A 36 -1.025 5.901 5.647 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.344 8.362 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.310 6.633 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.952 8.078 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.244 9.249 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.779 7.839 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.098 8.349 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.829 9.265 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.262 10.168 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.718 10.670 3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.338 12.363 4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.230 11.367 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.298 11.351 5.180 1.00 0.00 H new ATOM 531 N THR A 37 -3.035 5.826 3.090 1.00 0.00 N ATOM 532 CA THR A 37 -4.020 5.324 2.141 1.00 0.00 C ATOM 533 C THR A 37 -5.439 5.625 2.610 1.00 0.00 C ATOM 534 O THR A 37 -6.306 5.978 1.810 1.00 0.00 O ATOM 535 CB THR A 37 -3.874 3.805 1.930 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.552 3.499 1.473 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.895 3.298 0.923 1.00 0.00 C ATOM 0 H THR A 37 -2.257 5.190 3.265 1.00 0.00 H new ATOM 0 HA THR A 37 -3.836 5.835 1.196 1.00 0.00 H new ATOM 0 HB THR A 37 -4.052 3.309 2.884 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.467 2.531 1.343 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.772 2.223 0.790 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.901 3.506 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.745 3.801 -0.032 1.00 0.00 H new ATOM 545 N LEU A 38 -5.669 5.484 3.911 1.00 0.00 N ATOM 546 CA LEU A 38 -6.984 5.743 4.488 1.00 0.00 C ATOM 547 C LEU A 38 -7.391 7.199 4.286 1.00 0.00 C ATOM 548 O LEU A 38 -8.499 7.487 3.834 1.00 0.00 O ATOM 549 CB LEU A 38 -6.985 5.404 5.979 1.00 0.00 C ATOM 550 CG LEU A 38 -7.304 3.952 6.337 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.728 3.599 7.700 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.807 3.715 6.314 1.00 0.00 C ATOM 0 H LEU A 38 -4.962 5.192 4.586 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.708 5.108 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.005 5.651 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.710 6.048 6.477 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.842 3.304 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.965 2.562 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.646 3.729 7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.160 4.253 8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.016 2.676 6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.290 4.372 7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.193 3.927 5.317 1.00 0.00 H new ATOM 564 N ASP A 39 -6.487 8.113 4.622 1.00 0.00 N ATOM 565 CA ASP A 39 -6.749 9.539 4.474 1.00 0.00 C ATOM 566 C ASP A 39 -6.878 9.918 3.002 1.00 0.00 C ATOM 567 O ASP A 39 -7.799 10.636 2.614 1.00 0.00 O ATOM 568 CB ASP A 39 -5.633 10.356 5.128 1.00 0.00 C ATOM 569 CG ASP A 39 -6.016 11.810 5.319 1.00 0.00 C ATOM 570 OD1 ASP A 39 -6.945 12.080 6.109 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.385 12.678 4.680 1.00 0.00 O ATOM 0 H ASP A 39 -5.566 7.891 4.999 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.692 9.763 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.385 9.918 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.735 10.298 4.512 1.00 0.00 H new ATOM 576 N ALA A 40 -5.947 9.433 2.188 1.00 0.00 N ATOM 577 CA ALA A 40 -5.957 9.720 0.759 1.00 0.00 C ATOM 578 C ALA A 40 -7.259 9.258 0.115 1.00 0.00 C ATOM 579 O ALA A 40 -7.959 10.041 -0.529 1.00 0.00 O ATOM 580 CB ALA A 40 -4.766 9.060 0.079 1.00 0.00 C ATOM 0 H ALA A 40 -5.176 8.839 2.494 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.882 10.800 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.787 9.283 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.842 9.443 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.816 7.981 0.225 1.00 0.00 H new ATOM 586 N LEU A 41 -7.579 7.981 0.290 1.00 0.00 N ATOM 587 CA LEU A 41 -8.799 7.412 -0.275 1.00 0.00 C ATOM 588 C LEU A 41 -10.020 7.825 0.540 1.00 0.00 C ATOM 589 O LEU A 41 -11.138 7.385 0.270 1.00 0.00 O ATOM 590 CB LEU A 41 -8.697 5.887 -0.327 1.00 0.00 C ATOM 591 CG LEU A 41 -8.017 5.301 -1.565 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.526 3.889 -1.286 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.968 5.312 -2.752 1.00 0.00 C ATOM 0 H LEU A 41 -7.011 7.319 0.819 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.915 7.796 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.154 5.549 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.703 5.473 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.155 5.922 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.045 3.488 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.809 3.909 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.371 3.257 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.467 4.891 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.850 4.716 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.270 6.337 -2.967 1.00 0.00 H new ATOM 605 N VAL A 42 -9.800 8.674 1.539 1.00 0.00 N ATOM 606 CA VAL A 42 -10.883 9.150 2.391 1.00 0.00 C ATOM 607 C VAL A 42 -11.916 8.055 2.629 1.00 0.00 C ATOM 608 O VAL A 42 -13.121 8.300 2.562 1.00 0.00 O ATOM 609 CB VAL A 42 -11.583 10.377 1.778 1.00 0.00 C ATOM 610 CG1 VAL A 42 -10.610 11.541 1.655 1.00 0.00 C ATOM 611 CG2 VAL A 42 -12.182 10.027 0.424 1.00 0.00 C ATOM 0 H VAL A 42 -8.881 9.046 1.778 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.435 9.436 3.342 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.393 10.680 2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.122 12.399 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.233 11.806 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.777 11.253 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.673 10.906 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.391 9.698 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.912 9.227 0.545 1.00 0.00 H new ATOM 621 N ILE A 43 -11.437 6.847 2.907 1.00 0.00 N ATOM 622 CA ILE A 43 -12.320 5.715 3.156 1.00 0.00 C ATOM 623 C ILE A 43 -13.310 6.024 4.273 1.00 0.00 C ATOM 624 O ILE A 43 -12.963 6.669 5.264 1.00 0.00 O ATOM 625 CB ILE A 43 -11.522 4.450 3.528 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.582 4.060 2.387 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.468 3.305 3.858 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.643 2.926 2.738 1.00 0.00 C ATOM 0 H ILE A 43 -10.443 6.627 2.965 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.866 5.532 2.231 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.921 4.664 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.176 3.774 1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.994 4.931 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.890 2.419 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.100 3.586 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.093 3.088 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.006 2.703 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.023 3.216 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.223 2.041 2.999 1.00 0.00 H new ATOM 640 N ALA A 44 -14.544 5.560 4.108 1.00 0.00 N ATOM 641 CA ALA A 44 -15.584 5.785 5.105 1.00 0.00 C ATOM 642 C ALA A 44 -15.168 5.238 6.466 1.00 0.00 C ATOM 643 O ALA A 44 -15.094 5.978 7.448 1.00 0.00 O ATOM 644 CB ALA A 44 -16.891 5.149 4.656 1.00 0.00 C ATOM 0 H ALA A 44 -14.848 5.026 3.294 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.731 6.860 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.659 5.325 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.204 5.590 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.748 4.076 4.527 1.00 0.00 H new ATOM 650 N THR A 45 -14.896 3.937 6.519 1.00 0.00 N ATOM 651 CA THR A 45 -14.489 3.291 7.760 1.00 0.00 C ATOM 652 C THR A 45 -12.972 3.152 7.836 1.00 0.00 C ATOM 653 O THR A 45 -12.284 3.189 6.816 1.00 0.00 O ATOM 654 CB THR A 45 -15.129 1.897 7.905 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.747 1.310 9.153 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.707 0.988 6.760 1.00 0.00 C ATOM 0 H THR A 45 -14.951 3.311 5.716 1.00 0.00 H new ATOM 0 HA THR A 45 -14.834 3.927 8.575 1.00 0.00 H new ATOM 0 HB THR A 45 -16.212 2.013 7.876 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.159 0.425 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.171 0.009 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.025 1.424 5.813 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.622 0.879 6.763 1.00 0.00 H new ATOM 664 N GLY A 46 -12.457 2.991 9.051 1.00 0.00 N ATOM 665 CA GLY A 46 -11.025 2.849 9.236 1.00 0.00 C ATOM 666 C GLY A 46 -10.573 1.403 9.164 1.00 0.00 C ATOM 667 O GLY A 46 -9.482 1.110 8.672 1.00 0.00 O ATOM 0 H GLY A 46 -13.006 2.956 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.504 3.428 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.743 3.267 10.202 1.00 0.00 H new ATOM 671 N LEU A 47 -11.411 0.498 9.658 1.00 0.00 N ATOM 672 CA LEU A 47 -11.090 -0.925 9.649 1.00 0.00 C ATOM 673 C LEU A 47 -10.860 -1.423 8.226 1.00 0.00 C ATOM 674 O LEU A 47 -11.807 -1.736 7.505 1.00 0.00 O ATOM 675 CB LEU A 47 -12.216 -1.726 10.306 1.00 0.00 C ATOM 676 CG LEU A 47 -11.888 -3.175 10.665 1.00 0.00 C ATOM 677 CD1 LEU A 47 -11.131 -3.848 9.531 1.00 0.00 C ATOM 678 CD2 LEU A 47 -11.083 -3.235 11.955 1.00 0.00 C ATOM 0 H LEU A 47 -12.317 0.724 10.069 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.171 -1.068 10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.521 -1.208 11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.075 -1.725 9.635 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.824 -3.712 10.818 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.906 -4.879 9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.742 -3.837 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.201 -3.311 9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.858 -4.274 12.196 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.152 -2.682 11.829 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.661 -2.792 12.766 1.00 0.00 H new ATOM 690 N VAL A 48 -9.593 -1.495 7.827 1.00 0.00 N ATOM 691 CA VAL A 48 -9.238 -1.959 6.491 1.00 0.00 C ATOM 692 C VAL A 48 -7.940 -2.759 6.514 1.00 0.00 C ATOM 693 O VAL A 48 -7.142 -2.643 7.446 1.00 0.00 O ATOM 694 CB VAL A 48 -9.084 -0.780 5.511 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.403 -0.038 5.357 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.985 0.162 5.980 1.00 0.00 C ATOM 0 H VAL A 48 -8.796 -1.238 8.410 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.051 -2.601 6.152 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.801 -1.175 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.275 0.791 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.161 -0.720 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.719 0.347 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.890 0.989 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.236 0.552 6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.040 -0.379 6.034 1.00 0.00 H new ATOM 706 N THR A 49 -7.734 -3.571 5.483 1.00 0.00 N ATOM 707 CA THR A 49 -6.534 -4.392 5.384 1.00 0.00 C ATOM 708 C THR A 49 -5.798 -4.134 4.074 1.00 0.00 C ATOM 709 O THR A 49 -6.378 -4.237 2.992 1.00 0.00 O ATOM 710 CB THR A 49 -6.869 -5.891 5.484 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.504 -6.169 6.737 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.612 -6.738 5.349 1.00 0.00 C ATOM 0 H THR A 49 -8.383 -3.678 4.704 1.00 0.00 H new ATOM 0 HA THR A 49 -5.892 -4.114 6.220 1.00 0.00 H new ATOM 0 HB THR A 49 -7.547 -6.143 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.715 -7.124 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.875 -7.793 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.147 -6.547 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.913 -6.481 6.145 1.00 0.00 H new ATOM 720 N LEU A 50 -4.517 -3.798 4.177 1.00 0.00 N ATOM 721 CA LEU A 50 -3.699 -3.526 3.000 1.00 0.00 C ATOM 722 C LEU A 50 -2.958 -4.780 2.549 1.00 0.00 C ATOM 723 O LEU A 50 -2.363 -5.489 3.361 1.00 0.00 O ATOM 724 CB LEU A 50 -2.698 -2.408 3.297 1.00 0.00 C ATOM 725 CG LEU A 50 -2.087 -1.712 2.079 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.985 -0.579 1.607 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.695 -1.194 2.404 1.00 0.00 C ATOM 0 H LEU A 50 -4.022 -3.707 5.064 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.361 -3.208 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.195 -1.655 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.888 -2.823 3.897 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.001 -2.440 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.535 -0.095 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.962 -0.979 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.103 0.150 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.276 -0.702 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.755 -0.481 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.055 -2.028 2.693 1.00 0.00 H new ATOM 739 N VAL A 51 -2.999 -5.049 1.248 1.00 0.00 N ATOM 740 CA VAL A 51 -2.329 -6.217 0.687 1.00 0.00 C ATOM 741 C VAL A 51 -1.684 -5.890 -0.654 1.00 0.00 C ATOM 742 O VAL A 51 -1.857 -4.793 -1.187 1.00 0.00 O ATOM 743 CB VAL A 51 -3.309 -7.391 0.501 1.00 0.00 C ATOM 744 CG1 VAL A 51 -3.912 -7.800 1.837 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.397 -7.022 -0.494 1.00 0.00 C ATOM 0 H VAL A 51 -3.489 -4.474 0.563 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.555 -6.509 1.397 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.758 -8.243 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.602 -8.630 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.117 -8.108 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.450 -6.955 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.081 -7.862 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.947 -6.156 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.944 -6.783 -1.456 1.00 0.00 H new ATOM 755 N LEU A 52 -0.941 -6.848 -1.197 1.00 0.00 N ATOM 756 CA LEU A 52 -0.270 -6.662 -2.479 1.00 0.00 C ATOM 757 C LEU A 52 -1.260 -6.773 -3.633 1.00 0.00 C ATOM 758 O LEU A 52 -2.149 -7.623 -3.622 1.00 0.00 O ATOM 759 CB LEU A 52 0.845 -7.697 -2.647 1.00 0.00 C ATOM 760 CG LEU A 52 1.928 -7.700 -1.568 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.978 -8.757 -1.868 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.570 -6.325 -1.453 1.00 0.00 C ATOM 0 H LEU A 52 -0.788 -7.761 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 52 0.164 -5.662 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.391 -8.688 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.323 -7.533 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 52 1.462 -7.942 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.740 -8.744 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.507 -9.739 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.441 -8.547 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.338 -6.346 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.022 -6.054 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.810 -5.590 -1.189 1.00 0.00 H new ATOM 774 N GLU A 53 -1.099 -5.906 -4.629 1.00 0.00 N ATOM 775 CA GLU A 53 -1.979 -5.908 -5.791 1.00 0.00 C ATOM 776 C GLU A 53 -1.527 -6.945 -6.815 1.00 0.00 C ATOM 777 O GLU A 53 -1.872 -6.860 -7.993 1.00 0.00 O ATOM 778 CB GLU A 53 -2.013 -4.521 -6.435 1.00 0.00 C ATOM 779 CG GLU A 53 -3.237 -4.282 -7.305 1.00 0.00 C ATOM 780 CD GLU A 53 -4.535 -4.412 -6.533 1.00 0.00 C ATOM 781 OE1 GLU A 53 -5.016 -5.553 -6.370 1.00 0.00 O ATOM 782 OE2 GLU A 53 -5.070 -3.374 -6.092 1.00 0.00 O ATOM 0 H GLU A 53 -0.368 -5.195 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.982 -6.169 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.982 -3.765 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.116 -4.389 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.178 -3.286 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.236 -4.994 -8.130 1.00 0.00 H new ATOM 789 N GLU A 54 -0.750 -7.921 -6.356 1.00 0.00 N ATOM 790 CA GLU A 54 -0.249 -8.974 -7.232 1.00 0.00 C ATOM 791 C GLU A 54 -0.842 -10.327 -6.853 1.00 0.00 C ATOM 792 O GLU A 54 -1.361 -11.050 -7.704 1.00 0.00 O ATOM 793 CB GLU A 54 1.279 -9.039 -7.166 1.00 0.00 C ATOM 794 CG GLU A 54 1.811 -9.506 -5.821 1.00 0.00 C ATOM 795 CD GLU A 54 3.322 -9.419 -5.730 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.895 -8.458 -6.285 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.931 -10.310 -5.103 1.00 0.00 O ATOM 0 H GLU A 54 -0.454 -8.005 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.553 -8.737 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.640 -9.713 -7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.686 -8.052 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.368 -8.902 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.499 -10.536 -5.649 1.00 0.00 H new ATOM 804 N ASP A 55 -0.763 -10.662 -5.570 1.00 0.00 N ATOM 805 CA ASP A 55 -1.293 -11.929 -5.076 1.00 0.00 C ATOM 806 C ASP A 55 -2.291 -11.696 -3.946 1.00 0.00 C ATOM 807 O ASP A 55 -3.113 -12.560 -3.644 1.00 0.00 O ATOM 808 CB ASP A 55 -0.155 -12.828 -4.591 1.00 0.00 C ATOM 809 CG ASP A 55 -0.549 -14.291 -4.551 1.00 0.00 C ATOM 810 OD1 ASP A 55 -0.867 -14.849 -5.623 1.00 0.00 O ATOM 811 OD2 ASP A 55 -0.540 -14.878 -3.449 1.00 0.00 O ATOM 0 H ASP A 55 -0.337 -10.075 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.811 -12.424 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.706 -12.705 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.155 -12.511 -3.595 1.00 0.00 H new ATOM 816 N GLY A 56 -2.212 -10.523 -3.326 1.00 0.00 N ATOM 817 CA GLY A 56 -3.115 -10.198 -2.237 1.00 0.00 C ATOM 818 C GLY A 56 -2.561 -10.605 -0.885 1.00 0.00 C ATOM 819 O GLY A 56 -3.281 -11.156 -0.051 1.00 0.00 O ATOM 0 H GLY A 56 -1.539 -9.792 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.310 -9.126 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.071 -10.696 -2.400 1.00 0.00 H new ATOM 823 N THR A 57 -1.278 -10.337 -0.668 1.00 0.00 N ATOM 824 CA THR A 57 -0.626 -10.681 0.590 1.00 0.00 C ATOM 825 C THR A 57 -0.757 -9.552 1.604 1.00 0.00 C ATOM 826 O THR A 57 -0.345 -8.421 1.346 1.00 0.00 O ATOM 827 CB THR A 57 0.866 -11.000 0.382 1.00 0.00 C ATOM 828 OG1 THR A 57 1.013 -12.063 -0.566 1.00 0.00 O ATOM 829 CG2 THR A 57 1.525 -11.390 1.696 1.00 0.00 C ATOM 0 H THR A 57 -0.669 -9.882 -1.348 1.00 0.00 H new ATOM 0 HA THR A 57 -1.129 -11.569 0.973 1.00 0.00 H new ATOM 0 HB THR A 57 1.356 -10.104 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.965 -12.258 -0.694 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.578 -11.611 1.523 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.438 -10.567 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.031 -12.273 2.103 1.00 0.00 H new ATOM 837 N VAL A 58 -1.333 -9.864 2.761 1.00 0.00 N ATOM 838 CA VAL A 58 -1.516 -8.875 3.816 1.00 0.00 C ATOM 839 C VAL A 58 -0.175 -8.406 4.368 1.00 0.00 C ATOM 840 O VAL A 58 0.464 -9.106 5.155 1.00 0.00 O ATOM 841 CB VAL A 58 -2.367 -9.437 4.971 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.312 -8.510 6.176 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.803 -9.654 4.519 1.00 0.00 C ATOM 0 H VAL A 58 -1.681 -10.795 2.991 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.037 -8.028 3.369 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.954 -10.402 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.919 -8.924 6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.280 -8.412 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.698 -7.529 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.389 -10.051 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.230 -8.705 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.821 -10.362 3.690 1.00 0.00 H new ATOM 853 N VAL A 59 0.246 -7.216 3.953 1.00 0.00 N ATOM 854 CA VAL A 59 1.512 -6.651 4.407 1.00 0.00 C ATOM 855 C VAL A 59 1.353 -5.966 5.760 1.00 0.00 C ATOM 856 O VAL A 59 0.921 -4.815 5.837 1.00 0.00 O ATOM 857 CB VAL A 59 2.070 -5.637 3.391 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.498 -5.254 3.748 1.00 0.00 C ATOM 859 CG2 VAL A 59 1.997 -6.200 1.980 1.00 0.00 C ATOM 0 H VAL A 59 -0.271 -6.624 3.303 1.00 0.00 H new ATOM 0 HA VAL A 59 2.214 -7.480 4.503 1.00 0.00 H new ATOM 0 HB VAL A 59 1.457 -4.736 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.875 -4.537 3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.517 -4.806 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.126 -6.145 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.396 -5.470 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.584 -7.117 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.959 -6.418 1.728 1.00 0.00 H new ATOM 869 N ASP A 60 1.706 -6.679 6.823 1.00 0.00 N ATOM 870 CA ASP A 60 1.605 -6.138 8.174 1.00 0.00 C ATOM 871 C ASP A 60 2.988 -5.962 8.793 1.00 0.00 C ATOM 872 O ASP A 60 3.117 -5.517 9.935 1.00 0.00 O ATOM 873 CB ASP A 60 0.753 -7.057 9.051 1.00 0.00 C ATOM 874 CG ASP A 60 0.694 -6.591 10.492 1.00 0.00 C ATOM 875 OD1 ASP A 60 0.775 -5.366 10.722 1.00 0.00 O ATOM 876 OD2 ASP A 60 0.567 -7.449 11.390 1.00 0.00 O ATOM 0 H ASP A 60 2.065 -7.633 6.776 1.00 0.00 H new ATOM 0 HA ASP A 60 1.127 -5.160 8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.258 -7.106 8.646 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.160 -8.068 9.015 1.00 0.00 H new ATOM 881 N THR A 61 4.020 -6.316 8.034 1.00 0.00 N ATOM 882 CA THR A 61 5.393 -6.199 8.509 1.00 0.00 C ATOM 883 C THR A 61 6.131 -5.077 7.787 1.00 0.00 C ATOM 884 O THR A 61 5.863 -4.797 6.619 1.00 0.00 O ATOM 885 CB THR A 61 6.169 -7.516 8.315 1.00 0.00 C ATOM 886 OG1 THR A 61 5.772 -8.143 7.091 1.00 0.00 O ATOM 887 CG2 THR A 61 5.924 -8.464 9.479 1.00 0.00 C ATOM 0 H THR A 61 3.931 -6.686 7.088 1.00 0.00 H new ATOM 0 HA THR A 61 5.341 -5.970 9.573 1.00 0.00 H new ATOM 0 HB THR A 61 7.233 -7.283 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.271 -8.978 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.482 -9.387 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.254 -7.995 10.406 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.860 -8.690 9.546 1.00 0.00 H new ATOM 895 N GLU A 62 7.063 -4.440 8.490 1.00 0.00 N ATOM 896 CA GLU A 62 7.839 -3.347 7.913 1.00 0.00 C ATOM 897 C GLU A 62 9.028 -3.884 7.121 1.00 0.00 C ATOM 898 O GLU A 62 9.463 -3.272 6.146 1.00 0.00 O ATOM 899 CB GLU A 62 8.329 -2.405 9.014 1.00 0.00 C ATOM 900 CG GLU A 62 8.785 -1.051 8.497 1.00 0.00 C ATOM 901 CD GLU A 62 9.862 -0.428 9.364 1.00 0.00 C ATOM 902 OE1 GLU A 62 11.030 -0.860 9.260 1.00 0.00 O ATOM 903 OE2 GLU A 62 9.539 0.490 10.147 1.00 0.00 O ATOM 0 H GLU A 62 7.299 -4.661 9.457 1.00 0.00 H new ATOM 0 HA GLU A 62 7.191 -2.794 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.527 -2.257 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.155 -2.879 9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.162 -1.163 7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.929 -0.378 8.448 1.00 0.00 H new ATOM 910 N GLU A 63 9.547 -5.031 7.548 1.00 0.00 N ATOM 911 CA GLU A 63 10.686 -5.649 6.880 1.00 0.00 C ATOM 912 C GLU A 63 10.326 -6.052 5.453 1.00 0.00 C ATOM 913 O GLU A 63 11.131 -5.906 4.533 1.00 0.00 O ATOM 914 CB GLU A 63 11.163 -6.873 7.663 1.00 0.00 C ATOM 915 CG GLU A 63 10.265 -8.089 7.498 1.00 0.00 C ATOM 916 CD GLU A 63 10.513 -9.146 8.557 1.00 0.00 C ATOM 917 OE1 GLU A 63 10.597 -8.783 9.749 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.623 -10.336 8.193 1.00 0.00 O ATOM 0 H GLU A 63 9.197 -5.551 8.353 1.00 0.00 H new ATOM 0 HA GLU A 63 11.492 -4.917 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.172 -7.130 7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.223 -6.617 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.222 -7.774 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.426 -8.524 6.511 1.00 0.00 H new ATOM 925 N PHE A 64 9.111 -6.562 5.277 1.00 0.00 N ATOM 926 CA PHE A 64 8.644 -6.989 3.964 1.00 0.00 C ATOM 927 C PHE A 64 8.262 -5.786 3.105 1.00 0.00 C ATOM 928 O PHE A 64 8.442 -5.796 1.887 1.00 0.00 O ATOM 929 CB PHE A 64 7.446 -7.929 4.106 1.00 0.00 C ATOM 930 CG PHE A 64 6.905 -8.415 2.791 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.760 -8.703 1.739 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.542 -8.582 2.606 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.265 -9.149 0.527 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.042 -9.029 1.398 1.00 0.00 C ATOM 935 CZ PHE A 64 5.905 -9.312 0.357 1.00 0.00 C ATOM 0 H PHE A 64 8.432 -6.689 6.028 1.00 0.00 H new ATOM 0 HA PHE A 64 9.458 -7.521 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.738 -8.788 4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.653 -7.414 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.825 -8.578 1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.862 -8.360 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.942 -9.369 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.978 -9.157 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.516 -9.660 -0.588 1.00 0.00 H new ATOM 945 N PHE A 65 7.732 -4.751 3.749 1.00 0.00 N ATOM 946 CA PHE A 65 7.323 -3.541 3.046 1.00 0.00 C ATOM 947 C PHE A 65 8.537 -2.723 2.619 1.00 0.00 C ATOM 948 O PHE A 65 8.476 -1.959 1.656 1.00 0.00 O ATOM 949 CB PHE A 65 6.410 -2.694 3.935 1.00 0.00 C ATOM 950 CG PHE A 65 6.419 -1.234 3.583 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.548 -0.461 3.805 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.299 -0.633 3.031 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.560 0.883 3.483 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.304 0.711 2.707 1.00 0.00 C ATOM 955 CZ PHE A 65 6.436 1.469 2.933 1.00 0.00 C ATOM 0 H PHE A 65 7.576 -4.726 4.757 1.00 0.00 H new ATOM 0 HA PHE A 65 6.775 -3.838 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.390 -3.072 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.717 -2.811 4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.429 -0.914 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.411 -1.222 2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.446 1.474 3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.424 1.167 2.278 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.443 2.519 2.680 1.00 0.00 H new ATOM 965 N GLN A 66 9.640 -2.890 3.342 1.00 0.00 N ATOM 966 CA GLN A 66 10.869 -2.166 3.039 1.00 0.00 C ATOM 967 C GLN A 66 11.558 -2.754 1.811 1.00 0.00 C ATOM 968 O GLN A 66 12.237 -2.045 1.067 1.00 0.00 O ATOM 969 CB GLN A 66 11.818 -2.204 4.238 1.00 0.00 C ATOM 970 CG GLN A 66 11.377 -1.314 5.390 1.00 0.00 C ATOM 971 CD GLN A 66 11.833 0.123 5.225 1.00 0.00 C ATOM 972 OE1 GLN A 66 13.031 0.407 5.206 1.00 0.00 O ATOM 973 NE2 GLN A 66 10.878 1.037 5.103 1.00 0.00 N ATOM 0 H GLN A 66 9.708 -3.520 4.141 1.00 0.00 H new ATOM 0 HA GLN A 66 10.607 -1.130 2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.900 -3.231 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.813 -1.899 3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.290 -1.340 5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.773 -1.712 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.898 0.756 5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.125 2.020 4.988 1.00 0.00 H new ATOM 982 N THR A 67 11.381 -4.056 1.606 1.00 0.00 N ATOM 983 CA THR A 67 11.988 -4.740 0.471 1.00 0.00 C ATOM 984 C THR A 67 11.283 -4.375 -0.831 1.00 0.00 C ATOM 985 O THR A 67 11.908 -4.313 -1.890 1.00 0.00 O ATOM 986 CB THR A 67 11.950 -6.269 0.651 1.00 0.00 C ATOM 987 OG1 THR A 67 10.607 -6.700 0.903 1.00 0.00 O ATOM 988 CG2 THR A 67 12.851 -6.702 1.798 1.00 0.00 C ATOM 0 H THR A 67 10.822 -4.657 2.211 1.00 0.00 H new ATOM 0 HA THR A 67 13.027 -4.413 0.423 1.00 0.00 H new ATOM 0 HB THR A 67 12.312 -6.730 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.037 -5.919 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.807 -7.786 1.906 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.877 -6.399 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.515 -6.232 2.722 1.00 0.00 H new ATOM 996 N LEU A 68 9.979 -4.136 -0.745 1.00 0.00 N ATOM 997 CA LEU A 68 9.189 -3.776 -1.917 1.00 0.00 C ATOM 998 C LEU A 68 9.859 -2.652 -2.702 1.00 0.00 C ATOM 999 O LEU A 68 10.322 -1.670 -2.125 1.00 0.00 O ATOM 1000 CB LEU A 68 7.782 -3.352 -1.497 1.00 0.00 C ATOM 1001 CG LEU A 68 6.988 -4.372 -0.680 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.615 -3.822 -0.326 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.858 -5.682 -1.444 1.00 0.00 C ATOM 0 H LEU A 68 9.447 -4.185 0.124 1.00 0.00 H new ATOM 0 HA LEU A 68 9.120 -4.653 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.860 -2.433 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.213 -3.114 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 68 7.529 -4.566 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.065 -4.562 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.728 -2.911 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.066 -3.598 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.290 -6.396 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.340 -5.504 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.850 -6.086 -1.646 1.00 0.00 H new ATOM 1015 N GLY A 69 9.903 -2.803 -4.022 1.00 0.00 N ATOM 1016 CA GLY A 69 10.516 -1.793 -4.864 1.00 0.00 C ATOM 1017 C GLY A 69 9.783 -0.468 -4.807 1.00 0.00 C ATOM 1018 O GLY A 69 9.016 -0.214 -3.877 1.00 0.00 O ATOM 0 H GLY A 69 9.525 -3.607 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.551 -1.646 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.539 -2.148 -5.894 1.00 0.00 H new ATOM 1022 N ASP A 70 10.018 0.380 -5.801 1.00 0.00 N ATOM 1023 CA ASP A 70 9.374 1.688 -5.860 1.00 0.00 C ATOM 1024 C ASP A 70 8.093 1.626 -6.686 1.00 0.00 C ATOM 1025 O ASP A 70 8.000 0.866 -7.650 1.00 0.00 O ATOM 1026 CB ASP A 70 10.329 2.724 -6.454 1.00 0.00 C ATOM 1027 CG ASP A 70 11.779 2.441 -6.108 1.00 0.00 C ATOM 1028 OD1 ASP A 70 12.276 1.358 -6.481 1.00 0.00 O ATOM 1029 OD2 ASP A 70 12.415 3.302 -5.464 1.00 0.00 O ATOM 0 H ASP A 70 10.650 0.186 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 70 9.116 1.985 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.214 2.741 -7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.058 3.715 -6.089 1.00 0.00 H new ATOM 1034 N ASN A 71 7.107 2.431 -6.301 1.00 0.00 N ATOM 1035 CA ASN A 71 5.831 2.466 -7.006 1.00 0.00 C ATOM 1036 C ASN A 71 5.131 1.112 -6.934 1.00 0.00 C ATOM 1037 O ASN A 71 4.538 0.654 -7.911 1.00 0.00 O ATOM 1038 CB ASN A 71 6.043 2.866 -8.468 1.00 0.00 C ATOM 1039 CG ASN A 71 6.160 4.367 -8.645 1.00 0.00 C ATOM 1040 OD1 ASN A 71 5.156 5.073 -8.741 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.391 4.864 -8.690 1.00 0.00 N ATOM 0 H ASN A 71 7.168 3.067 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 71 5.197 3.208 -6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.946 2.387 -8.846 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.211 2.496 -9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.532 5.867 -8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.195 4.242 -8.606 1.00 0.00 H new ATOM 1048 N THR A 72 5.206 0.476 -5.769 1.00 0.00 N ATOM 1049 CA THR A 72 4.582 -0.827 -5.568 1.00 0.00 C ATOM 1050 C THR A 72 3.067 -0.698 -5.455 1.00 0.00 C ATOM 1051 O THR A 72 2.558 0.095 -4.662 1.00 0.00 O ATOM 1052 CB THR A 72 5.122 -1.519 -4.304 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.541 -1.683 -4.403 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.463 -2.877 -4.107 1.00 0.00 C ATOM 0 H THR A 72 5.692 0.842 -4.950 1.00 0.00 H new ATOM 0 HA THR A 72 4.829 -1.434 -6.439 1.00 0.00 H new ATOM 0 HB THR A 72 4.888 -0.890 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.987 -0.862 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.860 -3.347 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.386 -2.747 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.670 -3.511 -4.969 1.00 0.00 H new ATOM 1062 N HIS A 73 2.350 -1.481 -6.254 1.00 0.00 N ATOM 1063 CA HIS A 73 0.892 -1.456 -6.243 1.00 0.00 C ATOM 1064 C HIS A 73 0.345 -2.176 -5.013 1.00 0.00 C ATOM 1065 O HIS A 73 0.889 -3.193 -4.585 1.00 0.00 O ATOM 1066 CB HIS A 73 0.339 -2.102 -7.513 1.00 0.00 C ATOM 1067 CG HIS A 73 0.257 -1.161 -8.677 1.00 0.00 C ATOM 1068 ND1 HIS A 73 1.029 -1.297 -9.811 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.514 -0.066 -8.877 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.739 -0.326 -10.658 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.195 0.434 -10.115 1.00 0.00 N ATOM 0 H HIS A 73 2.755 -2.141 -6.918 1.00 0.00 H new ATOM 0 HA HIS A 73 0.572 -0.415 -6.206 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.970 -2.949 -7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.655 -2.498 -7.306 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.717 -2.033 -9.971 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.243 0.338 -8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.189 -0.179 -11.629 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.733 -1.640 -4.450 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.352 -2.230 -3.269 1.00 0.00 C ATOM 1082 C PHE A 74 -2.867 -2.315 -3.434 1.00 0.00 C ATOM 1083 O PHE A 74 -3.442 -1.679 -4.316 1.00 0.00 O ATOM 1084 CB PHE A 74 -1.008 -1.411 -2.024 1.00 0.00 C ATOM 1085 CG PHE A 74 0.451 -1.446 -1.667 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.127 -2.653 -1.578 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.146 -0.273 -1.421 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.468 -2.687 -1.248 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.488 -0.302 -1.093 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.151 -1.511 -1.007 1.00 0.00 C ATOM 0 H PHE A 74 -1.196 -0.798 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.960 -3.240 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.310 -0.376 -2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.589 -1.785 -1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.600 -3.576 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.633 0.675 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.983 -3.634 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.018 0.620 -0.904 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.200 -1.536 -0.752 1.00 0.00 H new ATOM 1100 N MET A 75 -3.505 -3.107 -2.578 1.00 0.00 N ATOM 1101 CA MET A 75 -4.953 -3.275 -2.628 1.00 0.00 C ATOM 1102 C MET A 75 -5.570 -3.088 -1.246 1.00 0.00 C ATOM 1103 O MET A 75 -5.147 -3.719 -0.276 1.00 0.00 O ATOM 1104 CB MET A 75 -5.308 -4.658 -3.175 1.00 0.00 C ATOM 1105 CG MET A 75 -6.703 -5.124 -2.790 1.00 0.00 C ATOM 1106 SD MET A 75 -7.362 -6.360 -3.925 1.00 0.00 S ATOM 1107 CE MET A 75 -7.639 -5.364 -5.387 1.00 0.00 C ATOM 0 H MET A 75 -3.043 -3.642 -1.843 1.00 0.00 H new ATOM 0 HA MET A 75 -5.360 -2.514 -3.294 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.226 -4.642 -4.262 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.579 -5.382 -2.811 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.678 -5.539 -1.782 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.374 -4.266 -2.765 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.708 -5.187 -5.510 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.123 -4.410 -5.280 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.255 -5.888 -6.262 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.570 -2.217 -1.162 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.244 -1.947 0.102 1.00 0.00 C ATOM 1119 C ILE A 76 -8.553 -2.723 0.203 1.00 0.00 C ATOM 1120 O ILE A 76 -9.425 -2.608 -0.661 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.536 -0.445 0.276 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.693 -0.102 1.759 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.786 -0.055 -0.499 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.391 0.270 2.434 1.00 0.00 C ATOM 0 H ILE A 76 -6.931 -1.686 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.569 -2.271 0.894 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.694 0.122 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.395 0.726 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.131 -0.956 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.979 1.009 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.639 -0.268 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.637 -0.627 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.578 0.501 3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.694 -0.565 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.962 1.143 1.941 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.686 -3.513 1.263 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.891 -4.307 1.478 1.00 0.00 C ATOM 1138 C LEU A 77 -10.666 -3.803 2.690 1.00 0.00 C ATOM 1139 O LEU A 77 -10.089 -3.556 3.748 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.527 -5.781 1.669 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.733 -6.429 0.533 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.484 -7.900 0.828 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.467 -6.266 -0.790 1.00 0.00 C ATOM 0 H LEU A 77 -7.975 -3.621 1.986 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.524 -4.206 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.950 -5.876 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.448 -6.347 1.811 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.769 -5.926 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.918 -8.345 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.917 -7.994 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.438 -8.417 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.888 -6.733 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.445 -6.743 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.594 -5.205 -1.007 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.977 -3.654 2.527 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.831 -3.179 3.610 1.00 0.00 C ATOM 1157 C GLU A 78 -13.056 -4.277 4.647 1.00 0.00 C ATOM 1158 O GLU A 78 -12.611 -5.412 4.473 1.00 0.00 O ATOM 1159 CB GLU A 78 -14.176 -2.703 3.057 1.00 0.00 C ATOM 1160 CG GLU A 78 -14.135 -1.295 2.486 1.00 0.00 C ATOM 1161 CD GLU A 78 -15.362 -0.964 1.660 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -16.354 -0.474 2.241 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -15.332 -1.194 0.432 1.00 0.00 O ATOM 0 H GLU A 78 -12.470 -3.855 1.657 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.328 -2.342 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.504 -3.392 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.921 -2.742 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.047 -0.578 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.244 -1.184 1.867 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.749 -3.930 5.726 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.035 -4.884 6.792 1.00 0.00 C ATOM 1172 C LYS A 79 -14.919 -6.017 6.284 1.00 0.00 C ATOM 1173 O LYS A 79 -16.146 -5.939 6.351 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.716 -4.178 7.966 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.237 -5.131 9.028 1.00 0.00 C ATOM 1176 CD LYS A 79 -16.288 -4.468 9.904 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.651 -3.613 10.989 1.00 0.00 C ATOM 1178 NZ LYS A 79 -16.667 -3.047 11.918 1.00 0.00 N ATOM 0 H LYS A 79 -14.123 -2.995 5.886 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.090 -5.308 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.008 -3.488 8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.545 -3.580 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.664 -6.012 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.409 -5.474 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.939 -3.849 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.915 -5.232 10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.938 -4.214 11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.088 -2.801 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.192 -2.471 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.333 -2.452 11.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.187 -3.822 12.378 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.289 -7.073 5.778 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.034 -8.209 5.268 1.00 0.00 C ATOM 1194 C GLY A 80 -14.884 -8.375 3.768 1.00 0.00 C ATOM 1195 O GLY A 80 -15.742 -8.970 3.115 1.00 0.00 O ATOM 0 H GLY A 80 -13.275 -7.162 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.693 -9.116 5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.089 -8.087 5.513 1.00 0.00 H new ATOM 1199 N GLN A 81 -13.793 -7.849 3.223 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.535 -7.941 1.791 1.00 0.00 C ATOM 1201 C GLN A 81 -12.242 -8.701 1.518 1.00 0.00 C ATOM 1202 O GLN A 81 -11.296 -8.643 2.305 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.459 -6.543 1.174 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.797 -5.823 1.130 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.873 -4.801 0.012 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -14.501 -5.214 -1.193 1.00 0.00 O flip ATOM 1207 NE2 GLN A 81 -15.263 -3.654 0.231 1.00 0.00 N flip ATOM 0 H GLN A 81 -13.073 -7.355 3.751 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.359 -8.488 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.751 -5.942 1.744 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.066 -6.623 0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.595 -6.555 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.969 -5.325 2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.539 -3.381 1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.310 -2.977 -0.531 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.206 -9.415 0.397 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.028 -10.187 0.019 1.00 0.00 C ATOM 1218 C LYS A 82 -10.328 -9.558 -1.182 1.00 0.00 C ATOM 1219 O LYS A 82 -10.860 -8.644 -1.813 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.422 -11.629 -0.305 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.462 -11.745 -1.405 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.879 -13.189 -1.631 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.348 -13.417 -3.059 1.00 0.00 C ATOM 1224 NZ LYS A 82 -13.631 -14.854 -3.327 1.00 0.00 N ATOM 0 H LYS A 82 -12.979 -9.475 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.337 -10.186 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.530 -12.182 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.807 -12.103 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.337 -11.150 -1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.061 -11.332 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.040 -13.849 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.679 -13.450 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.247 -12.829 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.586 -13.061 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.948 -14.968 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.767 -15.412 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.376 -15.187 -2.682 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.136 -10.053 -1.492 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.365 -9.541 -2.619 1.00 0.00 C ATOM 1240 C TRP A 83 -8.750 -10.253 -3.911 1.00 0.00 C ATOM 1241 O TRP A 83 -9.082 -11.438 -3.902 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.868 -9.708 -2.356 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.037 -9.660 -3.602 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.262 -8.620 -4.032 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.899 -10.696 -4.582 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.652 -8.947 -5.219 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -5.026 -10.215 -5.577 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.427 -11.983 -4.713 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.671 -10.976 -6.688 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -6.075 -12.738 -5.817 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.203 -12.233 -6.791 1.00 0.00 C ATOM 0 H TRP A 83 -8.682 -10.809 -0.979 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.591 -8.481 -2.730 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.536 -8.923 -1.676 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.699 -10.659 -1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.146 -7.679 -3.515 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.023 -8.343 -5.748 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.098 -12.381 -3.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -4.000 -10.589 -7.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.479 -13.733 -5.930 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.945 -12.848 -7.640 1.00 0.00 H new ATOM 1262 N MET A 84 -8.702 -9.523 -5.020 1.00 0.00 N ATOM 1263 CA MET A 84 -9.044 -10.087 -6.321 1.00 0.00 C ATOM 1264 C MET A 84 -7.975 -9.754 -7.357 1.00 0.00 C ATOM 1265 O MET A 84 -7.391 -8.670 -7.354 1.00 0.00 O ATOM 1266 CB MET A 84 -10.404 -9.560 -6.786 1.00 0.00 C ATOM 1267 CG MET A 84 -11.527 -9.820 -5.796 1.00 0.00 C ATOM 1268 SD MET A 84 -13.161 -9.655 -6.541 1.00 0.00 S ATOM 1269 CE MET A 84 -13.209 -11.115 -7.577 1.00 0.00 C ATOM 0 H MET A 84 -8.430 -8.540 -5.044 1.00 0.00 H new ATOM 0 HA MET A 84 -9.098 -11.171 -6.217 1.00 0.00 H new ATOM 0 HB2 MET A 84 -10.328 -8.487 -6.963 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.657 -10.023 -7.740 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.419 -10.824 -5.385 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.440 -9.123 -4.962 1.00 0.00 H new ATOM 0 HE1 MET A 84 -14.245 -11.364 -7.807 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.668 -10.922 -8.504 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.743 -11.949 -7.052 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.712 -10.706 -8.264 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.712 -10.536 -9.322 1.00 0.00 C ATOM 1281 C PRO A 85 -7.145 -9.518 -10.372 1.00 0.00 C ATOM 1282 O PRO A 85 -8.127 -8.799 -10.185 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.610 -11.932 -9.941 1.00 0.00 C ATOM 1284 CG PRO A 85 -7.925 -12.571 -9.654 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.371 -12.022 -8.327 1.00 0.00 C ATOM 0 HA PRO A 85 -5.767 -10.157 -8.932 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.422 -11.877 -11.013 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.790 -12.500 -9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.650 -12.341 -10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.832 -13.656 -9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.456 -11.931 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.064 -12.665 -7.502 1.00 0.00 H new ATOM 1293 N SER A 86 -6.408 -9.463 -11.476 1.00 0.00 N ATOM 1294 CA SER A 86 -6.715 -8.531 -12.554 1.00 0.00 C ATOM 1295 C SER A 86 -8.183 -8.631 -12.958 1.00 0.00 C ATOM 1296 O SER A 86 -8.658 -9.693 -13.358 1.00 0.00 O ATOM 1297 CB SER A 86 -5.822 -8.807 -13.765 1.00 0.00 C ATOM 1298 OG SER A 86 -6.289 -8.116 -14.911 1.00 0.00 O ATOM 0 H SER A 86 -5.594 -10.053 -11.648 1.00 0.00 H new ATOM 0 HA SER A 86 -6.524 -7.521 -12.192 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.799 -8.501 -13.544 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.798 -9.878 -13.967 1.00 0.00 H new ATOM 0 HG SER A 86 -5.701 -8.308 -15.671 1.00 0.00 H new ATOM 1304 N GLY A 87 -8.899 -7.515 -12.848 1.00 0.00 N ATOM 1305 CA GLY A 87 -10.304 -7.497 -13.204 1.00 0.00 C ATOM 1306 C GLY A 87 -11.177 -8.153 -12.153 1.00 0.00 C ATOM 1307 O GLY A 87 -10.706 -8.925 -11.317 1.00 0.00 O ATOM 0 H GLY A 87 -8.529 -6.623 -12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.626 -6.466 -13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.441 -8.009 -14.157 1.00 0.00 H new ATOM 1311 N PRO A 88 -12.482 -7.846 -12.185 1.00 0.00 N ATOM 1312 CA PRO A 88 -13.451 -8.400 -11.233 1.00 0.00 C ATOM 1313 C PRO A 88 -13.696 -9.888 -11.456 1.00 0.00 C ATOM 1314 O PRO A 88 -14.495 -10.508 -10.755 1.00 0.00 O ATOM 1315 CB PRO A 88 -14.724 -7.600 -11.517 1.00 0.00 C ATOM 1316 CG PRO A 88 -14.584 -7.154 -12.931 1.00 0.00 C ATOM 1317 CD PRO A 88 -13.114 -6.933 -13.153 1.00 0.00 C ATOM 0 HA PRO A 88 -13.102 -8.321 -10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.615 -8.213 -11.382 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.816 -6.750 -10.841 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.973 -7.906 -13.617 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -15.147 -6.238 -13.109 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.822 -7.168 -14.177 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.831 -5.896 -12.971 1.00 0.00 H new ATOM 1325 N SER A 89 -13.002 -10.457 -12.437 1.00 0.00 N ATOM 1326 CA SER A 89 -13.148 -11.873 -12.754 1.00 0.00 C ATOM 1327 C SER A 89 -12.880 -12.735 -11.525 1.00 0.00 C ATOM 1328 O SER A 89 -12.032 -12.409 -10.696 1.00 0.00 O ATOM 1329 CB SER A 89 -12.191 -12.265 -13.883 1.00 0.00 C ATOM 1330 OG SER A 89 -12.404 -11.463 -15.033 1.00 0.00 O ATOM 0 H SER A 89 -12.334 -9.960 -13.025 1.00 0.00 H new ATOM 0 HA SER A 89 -14.174 -12.043 -13.080 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.160 -12.156 -13.545 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.333 -13.315 -14.137 1.00 0.00 H new ATOM 0 HG SER A 89 -11.780 -11.731 -15.739 1.00 0.00 H new ATOM 1336 N SER A 90 -13.613 -13.839 -11.414 1.00 0.00 N ATOM 1337 CA SER A 90 -13.460 -14.748 -10.284 1.00 0.00 C ATOM 1338 C SER A 90 -12.380 -15.788 -10.566 1.00 0.00 C ATOM 1339 O SER A 90 -12.477 -16.557 -11.521 1.00 0.00 O ATOM 1340 CB SER A 90 -14.787 -15.445 -9.979 1.00 0.00 C ATOM 1341 OG SER A 90 -14.739 -16.108 -8.727 1.00 0.00 O ATOM 0 H SER A 90 -14.318 -14.125 -12.093 1.00 0.00 H new ATOM 0 HA SER A 90 -13.158 -14.161 -9.416 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.594 -14.712 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.013 -16.164 -10.766 1.00 0.00 H new ATOM 0 HG SER A 90 -15.600 -16.544 -8.555 1.00 0.00 H new ATOM 1347 N GLY A 91 -11.348 -15.804 -9.726 1.00 0.00 N ATOM 1348 CA GLY A 91 -10.264 -16.753 -9.902 1.00 0.00 C ATOM 1349 C GLY A 91 -10.330 -17.898 -8.911 1.00 0.00 C ATOM 1350 O GLY A 91 -9.354 -18.624 -8.726 1.00 0.00 O ATOM 0 H GLY A 91 -11.244 -15.177 -8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.295 -17.152 -10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.311 -16.236 -9.792 1.00 0.00 H new TER 1354 GLY A 91