USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 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 30:sc= 0.329 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 8 GLN : amide:sc= -0.0424 X(o=-0.042,f=-0.54) USER MOD Single : A 10 ASN : amide:sc= -0.0421 K(o=-0.042,f=-0.74) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 16 GLN : amide:sc= -0.405 K(o=-0.4,f=-1.9!) USER MOD Single : A 18 GLN : amide:sc= -3.2 K(o=-3.2,f=-8!) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.12) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00134 USER MOD Single : A 30 HIS :FLIP+bothHN:sc= -1.38 F(o=-5.2!,f=-1.4) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.843 K(o=-0.84,f=-1.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0181 K(o=-0.018,f=-1.2) USER MOD Single : A 71 GLN : amide:sc=-0.000894 K(o=-0.00089,f=-0.77) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 8:sc= 0.536 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.200 9.628 19.064 1.00 0.00 N ATOM 2 CA GLY A 1 16.351 9.716 19.943 1.00 0.00 C ATOM 3 C GLY A 1 16.873 8.352 20.351 1.00 0.00 C ATOM 4 O GLY A 1 18.053 8.052 20.168 1.00 0.00 O ATOM 0 H1 GLY A 1 14.881 10.585 18.813 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.462 9.113 18.199 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.431 9.122 19.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.145 10.271 19.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.081 10.280 20.836 1.00 0.00 H new ATOM 8 N SER A 2 15.995 7.525 20.908 1.00 0.00 N ATOM 9 CA SER A 2 16.375 6.189 21.349 1.00 0.00 C ATOM 10 C SER A 2 16.725 5.303 20.157 1.00 0.00 C ATOM 11 O SER A 2 16.109 5.400 19.095 1.00 0.00 O ATOM 12 CB SER A 2 15.242 5.553 22.157 1.00 0.00 C ATOM 13 OG SER A 2 15.217 6.054 23.482 1.00 0.00 O ATOM 0 H SER A 2 15.014 7.757 21.065 1.00 0.00 H new ATOM 0 HA SER A 2 17.257 6.280 21.984 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.287 5.754 21.671 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.368 4.471 22.177 1.00 0.00 H new ATOM 0 HG SER A 2 14.483 5.633 23.977 1.00 0.00 H new ATOM 19 N SER A 3 17.717 4.438 20.342 1.00 0.00 N ATOM 20 CA SER A 3 18.152 3.537 19.281 1.00 0.00 C ATOM 21 C SER A 3 16.964 3.061 18.450 1.00 0.00 C ATOM 22 O SER A 3 15.940 2.646 18.992 1.00 0.00 O ATOM 23 CB SER A 3 18.886 2.334 19.876 1.00 0.00 C ATOM 24 OG SER A 3 20.152 2.711 20.388 1.00 0.00 O ATOM 0 H SER A 3 18.234 4.342 21.216 1.00 0.00 H new ATOM 0 HA SER A 3 18.832 4.085 18.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.285 1.894 20.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.013 1.567 19.112 1.00 0.00 H new ATOM 0 HG SER A 3 20.600 1.925 20.764 1.00 0.00 H new ATOM 30 N GLY A 4 17.109 3.126 17.130 1.00 0.00 N ATOM 31 CA GLY A 4 16.041 2.700 16.245 1.00 0.00 C ATOM 32 C GLY A 4 16.523 1.740 15.175 1.00 0.00 C ATOM 33 O GLY A 4 16.231 1.921 13.993 1.00 0.00 O ATOM 0 H GLY A 4 17.947 3.466 16.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.256 2.222 16.831 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.596 3.575 15.770 1.00 0.00 H new ATOM 37 N SER A 5 17.264 0.718 15.590 1.00 0.00 N ATOM 38 CA SER A 5 17.793 -0.271 14.658 1.00 0.00 C ATOM 39 C SER A 5 17.387 -1.681 15.074 1.00 0.00 C ATOM 40 O SER A 5 17.649 -2.108 16.198 1.00 0.00 O ATOM 41 CB SER A 5 19.318 -0.168 14.583 1.00 0.00 C ATOM 42 OG SER A 5 19.918 -0.598 15.792 1.00 0.00 O ATOM 0 H SER A 5 17.512 0.553 16.566 1.00 0.00 H new ATOM 0 HA SER A 5 17.373 -0.067 13.673 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.686 -0.774 13.755 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.606 0.863 14.377 1.00 0.00 H new ATOM 0 HG SER A 5 19.353 -1.279 16.214 1.00 0.00 H new ATOM 48 N SER A 6 16.744 -2.400 14.160 1.00 0.00 N ATOM 49 CA SER A 6 16.298 -3.761 14.431 1.00 0.00 C ATOM 50 C SER A 6 16.408 -4.629 13.181 1.00 0.00 C ATOM 51 O SER A 6 16.542 -4.121 12.068 1.00 0.00 O ATOM 52 CB SER A 6 14.853 -3.756 14.936 1.00 0.00 C ATOM 53 OG SER A 6 14.462 -5.044 15.377 1.00 0.00 O ATOM 0 H SER A 6 16.520 -2.062 13.224 1.00 0.00 H new ATOM 0 HA SER A 6 16.944 -4.181 15.202 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.753 -3.042 15.754 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.187 -3.423 14.139 1.00 0.00 H new ATOM 0 HG SER A 6 13.536 -5.013 15.696 1.00 0.00 H new ATOM 59 N GLY A 7 16.352 -5.943 13.374 1.00 0.00 N ATOM 60 CA GLY A 7 16.447 -6.863 12.254 1.00 0.00 C ATOM 61 C GLY A 7 16.954 -8.230 12.668 1.00 0.00 C ATOM 62 O GLY A 7 17.623 -8.366 13.692 1.00 0.00 O ATOM 0 H GLY A 7 16.243 -6.388 14.285 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.466 -6.968 11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.114 -6.445 11.500 1.00 0.00 H new ATOM 66 N GLN A 8 16.633 -9.244 11.872 1.00 0.00 N ATOM 67 CA GLN A 8 17.059 -10.608 12.163 1.00 0.00 C ATOM 68 C GLN A 8 17.784 -11.219 10.968 1.00 0.00 C ATOM 69 O GLN A 8 18.835 -11.843 11.120 1.00 0.00 O ATOM 70 CB GLN A 8 15.854 -11.472 12.540 1.00 0.00 C ATOM 71 CG GLN A 8 15.538 -11.459 14.026 1.00 0.00 C ATOM 72 CD GLN A 8 16.343 -12.480 14.804 1.00 0.00 C ATOM 73 OE1 GLN A 8 16.496 -13.624 14.374 1.00 0.00 O ATOM 74 NE2 GLN A 8 16.864 -12.073 15.955 1.00 0.00 N ATOM 0 H GLN A 8 16.080 -9.147 11.021 1.00 0.00 H new ATOM 0 HA GLN A 8 17.750 -10.574 13.005 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.981 -11.124 11.988 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.041 -12.499 12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.736 -10.465 14.427 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.475 -11.655 14.169 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.712 -11.116 16.273 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.416 -12.717 16.521 1.00 0.00 H new ATOM 83 N ARG A 9 17.217 -11.035 9.781 1.00 0.00 N ATOM 84 CA ARG A 9 17.808 -11.569 8.560 1.00 0.00 C ATOM 85 C ARG A 9 18.252 -10.442 7.632 1.00 0.00 C ATOM 86 O ARG A 9 17.654 -9.367 7.616 1.00 0.00 O ATOM 87 CB ARG A 9 16.809 -12.475 7.838 1.00 0.00 C ATOM 88 CG ARG A 9 15.535 -11.762 7.416 1.00 0.00 C ATOM 89 CD ARG A 9 14.366 -12.729 7.303 1.00 0.00 C ATOM 90 NE ARG A 9 14.362 -13.433 6.024 1.00 0.00 N ATOM 91 CZ ARG A 9 13.338 -14.161 5.590 1.00 0.00 C ATOM 92 NH1 ARG A 9 12.244 -14.279 6.329 1.00 0.00 N ATOM 93 NH2 ARG A 9 13.409 -14.772 4.414 1.00 0.00 N ATOM 0 H ARG A 9 16.348 -10.520 9.638 1.00 0.00 H new ATOM 0 HA ARG A 9 18.685 -12.155 8.837 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.288 -12.899 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.550 -13.309 8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.296 -10.983 8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.694 -11.268 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.415 -13.454 8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.430 -12.182 7.419 1.00 0.00 H new ATOM 0 HE ARG A 9 15.189 -13.362 5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.186 -13.811 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.460 -14.838 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.249 -14.683 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.623 -15.331 4.081 1.00 0.00 H new ATOM 107 N ASN A 10 19.305 -10.696 6.862 1.00 0.00 N ATOM 108 CA ASN A 10 19.830 -9.702 5.933 1.00 0.00 C ATOM 109 C ASN A 10 19.624 -10.147 4.488 1.00 0.00 C ATOM 110 O ASN A 10 20.528 -10.703 3.864 1.00 0.00 O ATOM 111 CB ASN A 10 21.318 -9.462 6.197 1.00 0.00 C ATOM 112 CG ASN A 10 21.554 -8.536 7.375 1.00 0.00 C ATOM 113 OD1 ASN A 10 20.856 -7.536 7.542 1.00 0.00 O ATOM 114 ND2 ASN A 10 22.542 -8.866 8.198 1.00 0.00 N ATOM 0 H ASN A 10 19.811 -11.581 6.863 1.00 0.00 H new ATOM 0 HA ASN A 10 19.285 -8.771 6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.810 -10.417 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 10 21.778 -9.036 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.748 -8.281 9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.095 -9.705 8.021 1.00 0.00 H new ATOM 121 N ARG A 11 18.428 -9.897 3.963 1.00 0.00 N ATOM 122 CA ARG A 11 18.103 -10.272 2.592 1.00 0.00 C ATOM 123 C ARG A 11 17.440 -9.112 1.855 1.00 0.00 C ATOM 124 O ARG A 11 16.449 -8.549 2.324 1.00 0.00 O ATOM 125 CB ARG A 11 17.182 -11.493 2.580 1.00 0.00 C ATOM 126 CG ARG A 11 17.913 -12.810 2.779 1.00 0.00 C ATOM 127 CD ARG A 11 18.015 -13.173 4.252 1.00 0.00 C ATOM 128 NE ARG A 11 19.215 -13.954 4.542 1.00 0.00 N ATOM 129 CZ ARG A 11 19.321 -15.256 4.301 1.00 0.00 C ATOM 130 NH1 ARG A 11 18.305 -15.920 3.769 1.00 0.00 N ATOM 131 NH2 ARG A 11 20.447 -15.895 4.593 1.00 0.00 N ATOM 0 H ARG A 11 17.669 -9.437 4.466 1.00 0.00 H new ATOM 0 HA ARG A 11 19.032 -10.522 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 11 16.434 -11.381 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.647 -11.524 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.390 -13.602 2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 11 18.913 -12.741 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 11 18.022 -12.262 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.133 -13.741 4.547 1.00 0.00 H new ATOM 0 HE ARG A 11 20.016 -13.473 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.439 -15.431 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.389 -16.920 3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.231 -15.386 5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.529 -16.895 4.408 1.00 0.00 H new ATOM 145 N THR A 12 17.991 -8.760 0.698 1.00 0.00 N ATOM 146 CA THR A 12 17.455 -7.667 -0.103 1.00 0.00 C ATOM 147 C THR A 12 15.933 -7.626 -0.028 1.00 0.00 C ATOM 148 O THR A 12 15.276 -8.665 0.041 1.00 0.00 O ATOM 149 CB THR A 12 17.881 -7.791 -1.579 1.00 0.00 C ATOM 150 OG1 THR A 12 16.888 -7.201 -2.426 1.00 0.00 O ATOM 151 CG2 THR A 12 18.083 -9.248 -1.964 1.00 0.00 C ATOM 0 H THR A 12 18.809 -9.217 0.294 1.00 0.00 H new ATOM 0 HA THR A 12 17.862 -6.744 0.309 1.00 0.00 H new ATOM 0 HB THR A 12 18.827 -7.264 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.166 -7.282 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.383 -9.310 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.860 -9.686 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.151 -9.795 -1.821 1.00 0.00 H new ATOM 159 N SER A 13 15.377 -6.419 -0.042 1.00 0.00 N ATOM 160 CA SER A 13 13.931 -6.243 0.028 1.00 0.00 C ATOM 161 C SER A 13 13.397 -5.618 -1.257 1.00 0.00 C ATOM 162 O SER A 13 14.140 -5.415 -2.218 1.00 0.00 O ATOM 163 CB SER A 13 13.560 -5.367 1.226 1.00 0.00 C ATOM 164 OG SER A 13 14.388 -4.219 1.295 1.00 0.00 O ATOM 0 H SER A 13 15.906 -5.549 -0.101 1.00 0.00 H new ATOM 0 HA SER A 13 13.476 -7.226 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.516 -5.062 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.656 -5.944 2.146 1.00 0.00 H new ATOM 0 HG SER A 13 14.129 -3.675 2.068 1.00 0.00 H new ATOM 170 N PHE A 14 12.103 -5.316 -1.267 1.00 0.00 N ATOM 171 CA PHE A 14 11.467 -4.714 -2.434 1.00 0.00 C ATOM 172 C PHE A 14 12.312 -3.570 -2.984 1.00 0.00 C ATOM 173 O PHE A 14 13.162 -3.017 -2.285 1.00 0.00 O ATOM 174 CB PHE A 14 10.070 -4.205 -2.074 1.00 0.00 C ATOM 175 CG PHE A 14 9.280 -5.165 -1.231 1.00 0.00 C ATOM 176 CD1 PHE A 14 8.935 -6.414 -1.719 1.00 0.00 C ATOM 177 CD2 PHE A 14 8.884 -4.818 0.050 1.00 0.00 C ATOM 178 CE1 PHE A 14 8.208 -7.300 -0.946 1.00 0.00 C ATOM 179 CE2 PHE A 14 8.157 -5.699 0.829 1.00 0.00 C ATOM 180 CZ PHE A 14 7.820 -6.941 0.330 1.00 0.00 C ATOM 0 H PHE A 14 11.474 -5.478 -0.481 1.00 0.00 H new ATOM 0 HA PHE A 14 11.379 -5.480 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.163 -3.258 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.519 -4.002 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.238 -6.700 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.146 -3.848 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.944 -8.271 -1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.853 -5.416 1.826 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.253 -7.632 0.937 1.00 0.00 H new ATOM 190 N THR A 15 12.073 -3.218 -4.245 1.00 0.00 N ATOM 191 CA THR A 15 12.812 -2.142 -4.891 1.00 0.00 C ATOM 192 C THR A 15 11.868 -1.158 -5.573 1.00 0.00 C ATOM 193 O THR A 15 10.717 -1.487 -5.860 1.00 0.00 O ATOM 194 CB THR A 15 13.806 -2.689 -5.933 1.00 0.00 C ATOM 195 OG1 THR A 15 13.094 -3.308 -7.010 1.00 0.00 O ATOM 196 CG2 THR A 15 14.754 -3.696 -5.300 1.00 0.00 C ATOM 0 H THR A 15 11.373 -3.664 -4.838 1.00 0.00 H new ATOM 0 HA THR A 15 13.366 -1.625 -4.108 1.00 0.00 H new ATOM 0 HB THR A 15 14.392 -1.854 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.732 -3.652 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.446 -4.068 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.315 -3.214 -4.499 1.00 0.00 H new ATOM 0 HG23 THR A 15 14.181 -4.528 -4.891 1.00 0.00 H new ATOM 204 N GLN A 16 12.362 0.048 -5.830 1.00 0.00 N ATOM 205 CA GLN A 16 11.560 1.079 -6.479 1.00 0.00 C ATOM 206 C GLN A 16 10.875 0.531 -7.726 1.00 0.00 C ATOM 207 O GLN A 16 9.881 1.085 -8.193 1.00 0.00 O ATOM 208 CB GLN A 16 12.435 2.279 -6.849 1.00 0.00 C ATOM 209 CG GLN A 16 11.667 3.588 -6.935 1.00 0.00 C ATOM 210 CD GLN A 16 11.030 3.802 -8.293 1.00 0.00 C ATOM 211 OE1 GLN A 16 11.517 3.300 -9.306 1.00 0.00 O ATOM 212 NE2 GLN A 16 9.934 4.552 -8.322 1.00 0.00 N ATOM 0 H GLN A 16 13.313 0.336 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 16 10.792 1.402 -5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.229 2.381 -6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.916 2.086 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.892 3.601 -6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.343 4.416 -6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.564 4.949 -7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.462 4.731 -9.208 1.00 0.00 H new ATOM 221 N GLU A 17 11.413 -0.561 -8.260 1.00 0.00 N ATOM 222 CA GLU A 17 10.853 -1.183 -9.454 1.00 0.00 C ATOM 223 C GLU A 17 9.652 -2.056 -9.101 1.00 0.00 C ATOM 224 O GLU A 17 8.717 -2.189 -9.890 1.00 0.00 O ATOM 225 CB GLU A 17 11.917 -2.022 -10.165 1.00 0.00 C ATOM 226 CG GLU A 17 12.850 -1.206 -11.043 1.00 0.00 C ATOM 227 CD GLU A 17 13.694 -2.071 -11.959 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.777 -2.516 -11.523 1.00 0.00 O ATOM 229 OE2 GLU A 17 13.272 -2.302 -13.111 1.00 0.00 O ATOM 0 H GLU A 17 12.236 -1.033 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 17 10.519 -0.390 -10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.507 -2.554 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.423 -2.777 -10.777 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.263 -0.512 -11.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.505 -0.606 -10.411 1.00 0.00 H new ATOM 236 N GLN A 18 9.688 -2.646 -7.911 1.00 0.00 N ATOM 237 CA GLN A 18 8.603 -3.507 -7.454 1.00 0.00 C ATOM 238 C GLN A 18 7.533 -2.697 -6.729 1.00 0.00 C ATOM 239 O GLN A 18 6.345 -3.009 -6.808 1.00 0.00 O ATOM 240 CB GLN A 18 9.145 -4.599 -6.531 1.00 0.00 C ATOM 241 CG GLN A 18 10.245 -5.438 -7.161 1.00 0.00 C ATOM 242 CD GLN A 18 10.739 -6.537 -6.242 1.00 0.00 C ATOM 243 OE1 GLN A 18 10.622 -6.441 -5.020 1.00 0.00 O ATOM 244 NE2 GLN A 18 11.297 -7.592 -6.826 1.00 0.00 N ATOM 0 H GLN A 18 10.455 -2.544 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 18 8.149 -3.972 -8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.528 -4.137 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.325 -5.253 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.874 -5.882 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.080 -4.792 -7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.374 -7.631 -7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.648 -8.363 -6.258 1.00 0.00 H new ATOM 253 N ILE A 19 7.963 -1.654 -6.026 1.00 0.00 N ATOM 254 CA ILE A 19 7.041 -0.799 -5.288 1.00 0.00 C ATOM 255 C ILE A 19 6.081 -0.083 -6.232 1.00 0.00 C ATOM 256 O ILE A 19 4.944 0.212 -5.868 1.00 0.00 O ATOM 257 CB ILE A 19 7.795 0.248 -4.448 1.00 0.00 C ATOM 258 CG1 ILE A 19 8.681 -0.442 -3.409 1.00 0.00 C ATOM 259 CG2 ILE A 19 6.812 1.192 -3.772 1.00 0.00 C ATOM 260 CD1 ILE A 19 9.339 0.519 -2.442 1.00 0.00 C ATOM 0 H ILE A 19 8.943 -1.381 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 19 6.474 -1.448 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 19 8.433 0.833 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.079 -1.156 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.454 -1.013 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.360 1.926 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.220 1.705 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.151 0.622 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.952 -0.039 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.968 1.217 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.572 1.072 -1.900 1.00 0.00 H new ATOM 272 N GLU A 20 6.548 0.192 -7.446 1.00 0.00 N ATOM 273 CA GLU A 20 5.730 0.873 -8.442 1.00 0.00 C ATOM 274 C GLU A 20 4.588 -0.023 -8.912 1.00 0.00 C ATOM 275 O GLU A 20 3.449 0.425 -9.049 1.00 0.00 O ATOM 276 CB GLU A 20 6.588 1.295 -9.637 1.00 0.00 C ATOM 277 CG GLU A 20 7.447 0.172 -10.195 1.00 0.00 C ATOM 278 CD GLU A 20 8.154 0.563 -11.479 1.00 0.00 C ATOM 279 OE1 GLU A 20 8.906 1.559 -11.464 1.00 0.00 O ATOM 280 OE2 GLU A 20 7.955 -0.130 -12.499 1.00 0.00 O ATOM 0 H GLU A 20 7.488 -0.046 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 20 5.304 1.763 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.937 1.670 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.234 2.120 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.188 -0.118 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.822 -0.701 -10.380 1.00 0.00 H new ATOM 287 N ALA A 21 4.901 -1.290 -9.159 1.00 0.00 N ATOM 288 CA ALA A 21 3.901 -2.250 -9.612 1.00 0.00 C ATOM 289 C ALA A 21 2.975 -2.658 -8.471 1.00 0.00 C ATOM 290 O ALA A 21 1.790 -2.920 -8.684 1.00 0.00 O ATOM 291 CB ALA A 21 4.578 -3.475 -10.208 1.00 0.00 C ATOM 0 H ALA A 21 5.839 -1.676 -9.053 1.00 0.00 H new ATOM 0 HA ALA A 21 3.296 -1.771 -10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.820 -4.183 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.193 -3.174 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.207 -3.946 -9.453 1.00 0.00 H new ATOM 297 N LEU A 22 3.521 -2.710 -7.262 1.00 0.00 N ATOM 298 CA LEU A 22 2.743 -3.087 -6.086 1.00 0.00 C ATOM 299 C LEU A 22 1.767 -1.980 -5.701 1.00 0.00 C ATOM 300 O LEU A 22 0.695 -2.246 -5.159 1.00 0.00 O ATOM 301 CB LEU A 22 3.673 -3.395 -4.913 1.00 0.00 C ATOM 302 CG LEU A 22 4.509 -4.670 -5.034 1.00 0.00 C ATOM 303 CD1 LEU A 22 5.821 -4.522 -4.279 1.00 0.00 C ATOM 304 CD2 LEU A 22 3.728 -5.871 -4.521 1.00 0.00 C ATOM 0 H LEU A 22 4.499 -2.496 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 22 2.170 -3.981 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.351 -2.551 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.071 -3.464 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 22 4.737 -4.834 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.402 -5.439 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.387 -3.688 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.615 -4.333 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.338 -6.769 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.469 -5.716 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.816 -5.989 -5.107 1.00 0.00 H new ATOM 316 N GLU A 23 2.146 -0.739 -5.988 1.00 0.00 N ATOM 317 CA GLU A 23 1.304 0.409 -5.671 1.00 0.00 C ATOM 318 C GLU A 23 0.166 0.543 -6.680 1.00 0.00 C ATOM 319 O GLU A 23 -0.961 0.884 -6.320 1.00 0.00 O ATOM 320 CB GLU A 23 2.136 1.692 -5.653 1.00 0.00 C ATOM 321 CG GLU A 23 2.775 1.984 -4.306 1.00 0.00 C ATOM 322 CD GLU A 23 1.816 2.653 -3.339 1.00 0.00 C ATOM 323 OE1 GLU A 23 0.678 2.162 -3.197 1.00 0.00 O ATOM 324 OE2 GLU A 23 2.207 3.668 -2.724 1.00 0.00 O ATOM 0 H GLU A 23 3.030 -0.503 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 23 0.875 0.250 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.918 1.618 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.500 2.532 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.135 1.053 -3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.645 2.625 -4.452 1.00 0.00 H new ATOM 331 N LYS A 24 0.469 0.270 -7.944 1.00 0.00 N ATOM 332 CA LYS A 24 -0.527 0.359 -9.006 1.00 0.00 C ATOM 333 C LYS A 24 -1.616 -0.692 -8.818 1.00 0.00 C ATOM 334 O LYS A 24 -2.805 -0.390 -8.919 1.00 0.00 O ATOM 335 CB LYS A 24 0.139 0.179 -10.373 1.00 0.00 C ATOM 336 CG LYS A 24 -0.569 0.919 -11.496 1.00 0.00 C ATOM 337 CD LYS A 24 0.373 1.212 -12.651 1.00 0.00 C ATOM 338 CE LYS A 24 -0.322 2.000 -13.750 1.00 0.00 C ATOM 339 NZ LYS A 24 -1.435 1.226 -14.368 1.00 0.00 N ATOM 0 H LYS A 24 1.396 -0.015 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.986 1.346 -8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.171 0.526 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.173 -0.883 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.409 0.323 -11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.980 1.854 -11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.233 1.774 -12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.754 0.275 -13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.712 2.931 -13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.403 2.270 -14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.772 1.721 -15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.095 0.279 -14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.216 1.136 -13.687 1.00 0.00 H new ATOM 353 N GLU A 25 -1.204 -1.925 -8.544 1.00 0.00 N ATOM 354 CA GLU A 25 -2.146 -3.019 -8.342 1.00 0.00 C ATOM 355 C GLU A 25 -3.076 -2.725 -7.168 1.00 0.00 C ATOM 356 O GLU A 25 -4.256 -3.077 -7.193 1.00 0.00 O ATOM 357 CB GLU A 25 -1.396 -4.329 -8.097 1.00 0.00 C ATOM 358 CG GLU A 25 -2.280 -5.448 -7.571 1.00 0.00 C ATOM 359 CD GLU A 25 -1.800 -6.821 -7.998 1.00 0.00 C ATOM 360 OE1 GLU A 25 -1.920 -7.145 -9.198 1.00 0.00 O ATOM 361 OE2 GLU A 25 -1.304 -7.573 -7.132 1.00 0.00 O ATOM 0 H GLU A 25 -0.223 -2.192 -8.457 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.748 -3.118 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.932 -4.652 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.590 -4.149 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.311 -5.400 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.300 -5.297 -7.925 1.00 0.00 H new ATOM 368 N PHE A 26 -2.535 -2.079 -6.140 1.00 0.00 N ATOM 369 CA PHE A 26 -3.315 -1.740 -4.956 1.00 0.00 C ATOM 370 C PHE A 26 -4.434 -0.763 -5.302 1.00 0.00 C ATOM 371 O PHE A 26 -5.594 -0.985 -4.956 1.00 0.00 O ATOM 372 CB PHE A 26 -2.410 -1.135 -3.880 1.00 0.00 C ATOM 373 CG PHE A 26 -3.098 -0.937 -2.559 1.00 0.00 C ATOM 374 CD1 PHE A 26 -4.155 -0.050 -2.440 1.00 0.00 C ATOM 375 CD2 PHE A 26 -2.688 -1.638 -1.437 1.00 0.00 C ATOM 376 CE1 PHE A 26 -4.790 0.135 -1.227 1.00 0.00 C ATOM 377 CE2 PHE A 26 -3.320 -1.458 -0.221 1.00 0.00 C ATOM 378 CZ PHE A 26 -4.371 -0.570 -0.115 1.00 0.00 C ATOM 0 H PHE A 26 -1.560 -1.780 -6.103 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.763 -2.657 -4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.546 -1.784 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.033 -0.175 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.487 0.504 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.865 -2.333 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.613 0.830 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.991 -2.012 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.865 -0.426 0.835 1.00 0.00 H new ATOM 388 N GLU A 27 -4.077 0.319 -5.988 1.00 0.00 N ATOM 389 CA GLU A 27 -5.050 1.330 -6.380 1.00 0.00 C ATOM 390 C GLU A 27 -6.281 0.684 -7.011 1.00 0.00 C ATOM 391 O GLU A 27 -7.412 1.101 -6.759 1.00 0.00 O ATOM 392 CB GLU A 27 -4.422 2.322 -7.361 1.00 0.00 C ATOM 393 CG GLU A 27 -3.682 3.462 -6.684 1.00 0.00 C ATOM 394 CD GLU A 27 -4.582 4.643 -6.379 1.00 0.00 C ATOM 395 OE1 GLU A 27 -5.495 4.916 -7.187 1.00 0.00 O ATOM 396 OE2 GLU A 27 -4.375 5.295 -5.335 1.00 0.00 O ATOM 0 H GLU A 27 -3.121 0.517 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.361 1.865 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.731 1.787 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.204 2.735 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.236 3.101 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.863 3.790 -7.325 1.00 0.00 H new ATOM 403 N ARG A 28 -6.052 -0.335 -7.833 1.00 0.00 N ATOM 404 CA ARG A 28 -7.140 -1.037 -8.501 1.00 0.00 C ATOM 405 C ARG A 28 -7.870 -1.960 -7.529 1.00 0.00 C ATOM 406 O ARG A 28 -9.096 -2.074 -7.566 1.00 0.00 O ATOM 407 CB ARG A 28 -6.604 -1.846 -9.683 1.00 0.00 C ATOM 408 CG ARG A 28 -7.639 -2.101 -10.767 1.00 0.00 C ATOM 409 CD ARG A 28 -8.029 -0.814 -11.478 1.00 0.00 C ATOM 410 NE ARG A 28 -8.413 -1.051 -12.867 1.00 0.00 N ATOM 411 CZ ARG A 28 -8.872 -0.102 -13.675 1.00 0.00 C ATOM 412 NH1 ARG A 28 -9.003 1.142 -13.235 1.00 0.00 N ATOM 413 NH2 ARG A 28 -9.202 -0.396 -14.926 1.00 0.00 N ATOM 0 H ARG A 28 -5.122 -0.693 -8.052 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.846 -0.293 -8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.756 -1.318 -10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.230 -2.802 -9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.242 -2.812 -11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.525 -2.557 -10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.857 -0.344 -10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.193 -0.115 -11.447 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.324 -1.997 -13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.751 1.372 -12.274 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.356 1.869 -13.858 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.103 -1.352 -15.268 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.554 0.334 -15.545 1.00 0.00 H new ATOM 427 N THR A 29 -7.109 -2.616 -6.659 1.00 0.00 N ATOM 428 CA THR A 29 -7.683 -3.530 -5.679 1.00 0.00 C ATOM 429 C THR A 29 -6.800 -3.631 -4.440 1.00 0.00 C ATOM 430 O THR A 29 -5.624 -3.986 -4.531 1.00 0.00 O ATOM 431 CB THR A 29 -7.881 -4.938 -6.271 1.00 0.00 C ATOM 432 OG1 THR A 29 -8.356 -5.833 -5.260 1.00 0.00 O ATOM 433 CG2 THR A 29 -6.579 -5.468 -6.853 1.00 0.00 C ATOM 0 H THR A 29 -6.094 -2.531 -6.613 1.00 0.00 H new ATOM 0 HA THR A 29 -8.655 -3.123 -5.398 1.00 0.00 H new ATOM 0 HB THR A 29 -8.618 -4.871 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.480 -6.725 -5.645 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.743 -6.464 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.235 -4.800 -7.643 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.824 -5.520 -6.068 1.00 0.00 H new ATOM 441 N HIS A 30 -7.374 -3.318 -3.283 1.00 0.00 N ATOM 442 CA HIS A 30 -6.638 -3.375 -2.024 1.00 0.00 C ATOM 443 C HIS A 30 -6.374 -4.821 -1.615 1.00 0.00 C ATOM 444 O HIS A 30 -5.546 -5.089 -0.745 1.00 0.00 O ATOM 445 CB HIS A 30 -7.415 -2.654 -0.922 1.00 0.00 C ATOM 446 CG HIS A 30 -7.729 -1.227 -1.246 1.00 0.00 C ATOM 447 ND1 HIS A 30 -7.480 -0.496 -2.358 1.00 0.00 N flip ATOM 448 CD2 HIS A 30 -8.376 -0.381 -0.370 1.00 0.00 C flip ATOM 449 CE1 HIS A 30 -7.977 0.765 -2.136 1.00 0.00 C flip ATOM 450 NE2 HIS A 30 -8.513 0.808 -0.930 1.00 0.00 N flip ATOM 0 H HIS A 30 -8.346 -3.022 -3.190 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.680 -2.876 -2.168 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.346 -3.189 -0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.837 -2.690 0.001 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -7.011 -0.821 -3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.717 -0.648 0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.936 1.588 -2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.957 1.621 -0.503 1.00 0.00 H new ATOM 459 N TYR A 31 -7.085 -5.749 -2.247 1.00 0.00 N ATOM 460 CA TYR A 31 -6.929 -7.167 -1.947 1.00 0.00 C ATOM 461 C TYR A 31 -6.813 -7.987 -3.228 1.00 0.00 C ATOM 462 O TYR A 31 -7.776 -8.593 -3.698 1.00 0.00 O ATOM 463 CB TYR A 31 -8.112 -7.666 -1.115 1.00 0.00 C ATOM 464 CG TYR A 31 -8.414 -6.801 0.089 1.00 0.00 C ATOM 465 CD1 TYR A 31 -7.459 -6.593 1.075 1.00 0.00 C ATOM 466 CD2 TYR A 31 -9.654 -6.193 0.238 1.00 0.00 C ATOM 467 CE1 TYR A 31 -7.731 -5.804 2.177 1.00 0.00 C ATOM 468 CE2 TYR A 31 -9.934 -5.402 1.335 1.00 0.00 C ATOM 469 CZ TYR A 31 -8.969 -5.210 2.302 1.00 0.00 C ATOM 470 OH TYR A 31 -9.245 -4.424 3.397 1.00 0.00 O ATOM 0 H TYR A 31 -7.775 -5.544 -2.970 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.010 -7.292 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.997 -7.713 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.906 -8.682 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.488 -7.055 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.412 -6.341 -0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.978 -5.654 2.936 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.903 -4.936 1.435 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.160 -4.081 3.331 1.00 0.00 H new ATOM 480 N PRO A 32 -5.604 -8.006 -3.809 1.00 0.00 N ATOM 481 CA PRO A 32 -5.330 -8.748 -5.043 1.00 0.00 C ATOM 482 C PRO A 32 -5.362 -10.258 -4.831 1.00 0.00 C ATOM 483 O PRO A 32 -4.418 -10.839 -4.295 1.00 0.00 O ATOM 484 CB PRO A 32 -3.921 -8.292 -5.426 1.00 0.00 C ATOM 485 CG PRO A 32 -3.296 -7.871 -4.141 1.00 0.00 C ATOM 486 CD PRO A 32 -4.410 -7.307 -3.303 1.00 0.00 C ATOM 0 HA PRO A 32 -6.079 -8.553 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.358 -9.099 -5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.952 -7.469 -6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.822 -8.716 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.519 -7.125 -4.311 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.251 -7.499 -2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.496 -6.227 -3.422 1.00 0.00 H new ATOM 494 N ASP A 33 -6.452 -10.887 -5.255 1.00 0.00 N ATOM 495 CA ASP A 33 -6.605 -12.330 -5.113 1.00 0.00 C ATOM 496 C ASP A 33 -5.430 -13.067 -5.748 1.00 0.00 C ATOM 497 O ASP A 33 -4.513 -12.447 -6.287 1.00 0.00 O ATOM 498 CB ASP A 33 -7.917 -12.790 -5.752 1.00 0.00 C ATOM 499 CG ASP A 33 -9.120 -12.502 -4.876 1.00 0.00 C ATOM 500 OD1 ASP A 33 -9.186 -13.054 -3.757 1.00 0.00 O ATOM 501 OD2 ASP A 33 -9.995 -11.723 -5.308 1.00 0.00 O ATOM 0 H ASP A 33 -7.243 -10.421 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.625 -12.565 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.044 -12.292 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.865 -13.860 -5.952 1.00 0.00 H new ATOM 506 N VAL A 34 -5.464 -14.394 -5.680 1.00 0.00 N ATOM 507 CA VAL A 34 -4.402 -15.216 -6.249 1.00 0.00 C ATOM 508 C VAL A 34 -4.132 -14.838 -7.702 1.00 0.00 C ATOM 509 O VAL A 34 -2.981 -14.748 -8.127 1.00 0.00 O ATOM 510 CB VAL A 34 -4.752 -16.714 -6.177 1.00 0.00 C ATOM 511 CG1 VAL A 34 -6.104 -16.978 -6.820 1.00 0.00 C ATOM 512 CG2 VAL A 34 -3.664 -17.547 -6.839 1.00 0.00 C ATOM 0 H VAL A 34 -6.215 -14.923 -5.237 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.507 -15.030 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.813 -17.006 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.334 -18.042 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.873 -16.410 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.076 -16.672 -7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.927 -18.603 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.568 -17.256 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.716 -17.380 -6.328 1.00 0.00 H new ATOM 522 N PHE A 35 -5.202 -14.616 -8.458 1.00 0.00 N ATOM 523 CA PHE A 35 -5.082 -14.249 -9.864 1.00 0.00 C ATOM 524 C PHE A 35 -4.319 -12.936 -10.019 1.00 0.00 C ATOM 525 O PHE A 35 -3.797 -12.632 -11.091 1.00 0.00 O ATOM 526 CB PHE A 35 -6.467 -14.126 -10.501 1.00 0.00 C ATOM 527 CG PHE A 35 -7.005 -15.427 -11.023 1.00 0.00 C ATOM 528 CD1 PHE A 35 -6.272 -16.185 -11.922 1.00 0.00 C ATOM 529 CD2 PHE A 35 -8.244 -15.893 -10.615 1.00 0.00 C ATOM 530 CE1 PHE A 35 -6.763 -17.383 -12.404 1.00 0.00 C ATOM 531 CE2 PHE A 35 -8.740 -17.091 -11.093 1.00 0.00 C ATOM 532 CZ PHE A 35 -8.000 -17.836 -11.990 1.00 0.00 C ATOM 0 H PHE A 35 -6.162 -14.684 -8.120 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.525 -15.035 -10.373 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.162 -13.724 -9.764 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.419 -13.407 -11.319 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.304 -15.835 -12.250 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.829 -15.314 -9.916 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.180 -17.964 -13.103 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.706 -17.445 -10.765 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.388 -18.771 -12.367 1.00 0.00 H new ATOM 542 N ALA A 36 -4.261 -12.161 -8.941 1.00 0.00 N ATOM 543 CA ALA A 36 -3.563 -10.882 -8.955 1.00 0.00 C ATOM 544 C ALA A 36 -2.132 -11.032 -8.450 1.00 0.00 C ATOM 545 O ALA A 36 -1.189 -10.549 -9.077 1.00 0.00 O ATOM 546 CB ALA A 36 -4.316 -9.859 -8.117 1.00 0.00 C ATOM 0 H ALA A 36 -4.690 -12.397 -8.046 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.522 -10.531 -9.986 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.783 -8.909 -8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.318 -9.721 -8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.388 -10.213 -7.089 1.00 0.00 H new ATOM 552 N ARG A 37 -1.977 -11.705 -7.315 1.00 0.00 N ATOM 553 CA ARG A 37 -0.661 -11.916 -6.725 1.00 0.00 C ATOM 554 C ARG A 37 0.204 -12.791 -7.627 1.00 0.00 C ATOM 555 O ARG A 37 1.423 -12.634 -7.675 1.00 0.00 O ATOM 556 CB ARG A 37 -0.795 -12.564 -5.345 1.00 0.00 C ATOM 557 CG ARG A 37 -1.271 -11.605 -4.267 1.00 0.00 C ATOM 558 CD ARG A 37 -0.773 -12.023 -2.892 1.00 0.00 C ATOM 559 NE ARG A 37 -1.641 -13.023 -2.276 1.00 0.00 N ATOM 560 CZ ARG A 37 -2.890 -12.777 -1.893 1.00 0.00 C ATOM 561 NH1 ARG A 37 -3.414 -11.572 -2.064 1.00 0.00 N ATOM 562 NH2 ARG A 37 -3.617 -13.740 -1.341 1.00 0.00 N ATOM 0 H ARG A 37 -2.747 -12.114 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.178 -10.945 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.493 -13.399 -5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.170 -12.977 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.919 -10.598 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.360 -11.569 -4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.237 -12.424 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.714 -11.147 -2.246 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.269 -13.962 -2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.859 -10.830 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.373 -11.386 -1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.218 -14.669 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.575 -13.551 -1.047 1.00 0.00 H new ATOM 576 N GLU A 38 -0.437 -13.713 -8.340 1.00 0.00 N ATOM 577 CA GLU A 38 0.277 -14.613 -9.240 1.00 0.00 C ATOM 578 C GLU A 38 0.835 -13.854 -10.439 1.00 0.00 C ATOM 579 O GLU A 38 2.028 -13.930 -10.735 1.00 0.00 O ATOM 580 CB GLU A 38 -0.652 -15.732 -9.718 1.00 0.00 C ATOM 581 CG GLU A 38 -0.782 -16.878 -8.730 1.00 0.00 C ATOM 582 CD GLU A 38 -1.226 -18.170 -9.390 1.00 0.00 C ATOM 583 OE1 GLU A 38 -2.307 -18.174 -10.015 1.00 0.00 O ATOM 584 OE2 GLU A 38 -0.494 -19.175 -9.280 1.00 0.00 O ATOM 0 H GLU A 38 -1.447 -13.856 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 38 1.110 -15.051 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.641 -15.315 -9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.281 -16.121 -10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.176 -17.037 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.498 -16.605 -7.955 1.00 0.00 H new ATOM 591 N ARG A 39 -0.035 -13.122 -11.126 1.00 0.00 N ATOM 592 CA ARG A 39 0.371 -12.349 -12.295 1.00 0.00 C ATOM 593 C ARG A 39 1.402 -11.292 -11.915 1.00 0.00 C ATOM 594 O ARG A 39 2.420 -11.130 -12.591 1.00 0.00 O ATOM 595 CB ARG A 39 -0.846 -11.683 -12.939 1.00 0.00 C ATOM 596 CG ARG A 39 -1.558 -12.563 -13.953 1.00 0.00 C ATOM 597 CD ARG A 39 -2.584 -11.775 -14.752 1.00 0.00 C ATOM 598 NE ARG A 39 -1.957 -10.892 -15.731 1.00 0.00 N ATOM 599 CZ ARG A 39 -2.622 -9.980 -16.430 1.00 0.00 C ATOM 600 NH1 ARG A 39 -3.928 -9.831 -16.259 1.00 0.00 N ATOM 601 NH2 ARG A 39 -1.980 -9.213 -17.302 1.00 0.00 N ATOM 0 H ARG A 39 -1.025 -13.047 -10.894 1.00 0.00 H new ATOM 0 HA ARG A 39 0.825 -13.032 -13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.551 -11.401 -12.157 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.529 -10.763 -13.429 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.827 -13.003 -14.631 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.051 -13.387 -13.438 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.253 -12.467 -15.264 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.197 -11.184 -14.071 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.953 -10.981 -15.887 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.425 -10.418 -15.589 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.436 -9.129 -16.798 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.975 -9.324 -17.436 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.492 -8.513 -17.839 1.00 0.00 H new ATOM 615 N LEU A 40 1.134 -10.572 -10.832 1.00 0.00 N ATOM 616 CA LEU A 40 2.039 -9.528 -10.362 1.00 0.00 C ATOM 617 C LEU A 40 3.369 -10.123 -9.912 1.00 0.00 C ATOM 618 O LEU A 40 4.434 -9.578 -10.202 1.00 0.00 O ATOM 619 CB LEU A 40 1.398 -8.751 -9.211 1.00 0.00 C ATOM 620 CG LEU A 40 1.905 -7.323 -9.002 1.00 0.00 C ATOM 621 CD1 LEU A 40 1.117 -6.345 -9.860 1.00 0.00 C ATOM 622 CD2 LEU A 40 1.818 -6.937 -7.532 1.00 0.00 C ATOM 0 H LEU A 40 0.297 -10.692 -10.262 1.00 0.00 H new ATOM 0 HA LEU A 40 2.230 -8.846 -11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.322 -8.712 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.556 -9.310 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 40 2.950 -7.280 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.492 -5.335 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.231 -6.610 -10.911 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.063 -6.389 -9.587 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.183 -5.918 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.781 -6.997 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.428 -7.619 -6.940 1.00 0.00 H new ATOM 634 N ALA A 41 3.299 -11.245 -9.203 1.00 0.00 N ATOM 635 CA ALA A 41 4.498 -11.916 -8.716 1.00 0.00 C ATOM 636 C ALA A 41 5.571 -11.977 -9.798 1.00 0.00 C ATOM 637 O ALA A 41 6.764 -11.906 -9.507 1.00 0.00 O ATOM 638 CB ALA A 41 4.158 -13.316 -8.228 1.00 0.00 C ATOM 0 H ALA A 41 2.425 -11.708 -8.953 1.00 0.00 H new ATOM 0 HA ALA A 41 4.894 -11.338 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.063 -13.805 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.432 -13.252 -7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.735 -13.895 -9.049 1.00 0.00 H new ATOM 644 N ALA A 42 5.138 -12.111 -11.048 1.00 0.00 N ATOM 645 CA ALA A 42 6.062 -12.180 -12.173 1.00 0.00 C ATOM 646 C ALA A 42 6.315 -10.796 -12.761 1.00 0.00 C ATOM 647 O ALA A 42 7.307 -10.579 -13.458 1.00 0.00 O ATOM 648 CB ALA A 42 5.522 -13.118 -13.242 1.00 0.00 C ATOM 0 H ALA A 42 4.153 -12.174 -11.306 1.00 0.00 H new ATOM 0 HA ALA A 42 7.012 -12.571 -11.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.222 -13.160 -14.076 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.398 -14.116 -12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.558 -12.751 -13.595 1.00 0.00 H new ATOM 654 N LYS A 43 5.414 -9.863 -12.476 1.00 0.00 N ATOM 655 CA LYS A 43 5.539 -8.499 -12.977 1.00 0.00 C ATOM 656 C LYS A 43 6.610 -7.734 -12.206 1.00 0.00 C ATOM 657 O LYS A 43 7.195 -6.779 -12.720 1.00 0.00 O ATOM 658 CB LYS A 43 4.198 -7.769 -12.867 1.00 0.00 C ATOM 659 CG LYS A 43 4.255 -6.322 -13.327 1.00 0.00 C ATOM 660 CD LYS A 43 2.914 -5.855 -13.867 1.00 0.00 C ATOM 661 CE LYS A 43 2.800 -4.338 -13.843 1.00 0.00 C ATOM 662 NZ LYS A 43 1.496 -3.871 -14.389 1.00 0.00 N ATOM 0 H LYS A 43 4.588 -10.026 -11.900 1.00 0.00 H new ATOM 0 HA LYS A 43 5.834 -8.548 -14.025 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.454 -8.301 -13.460 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.861 -7.799 -11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.554 -5.686 -12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.017 -6.215 -14.099 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.787 -6.214 -14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.110 -6.291 -13.274 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.914 -3.981 -12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.613 -3.903 -14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.458 -2.832 -14.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.398 -4.189 -15.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.720 -4.265 -13.819 1.00 0.00 H new ATOM 676 N ILE A 44 6.865 -8.161 -10.974 1.00 0.00 N ATOM 677 CA ILE A 44 7.868 -7.516 -10.136 1.00 0.00 C ATOM 678 C ILE A 44 8.893 -8.527 -9.630 1.00 0.00 C ATOM 679 O ILE A 44 9.819 -8.175 -8.899 1.00 0.00 O ATOM 680 CB ILE A 44 7.224 -6.809 -8.929 1.00 0.00 C ATOM 681 CG1 ILE A 44 6.167 -7.709 -8.286 1.00 0.00 C ATOM 682 CG2 ILE A 44 6.610 -5.485 -9.358 1.00 0.00 C ATOM 683 CD1 ILE A 44 5.397 -7.037 -7.172 1.00 0.00 C ATOM 0 H ILE A 44 6.391 -8.950 -10.534 1.00 0.00 H new ATOM 0 HA ILE A 44 8.368 -6.773 -10.758 1.00 0.00 H new ATOM 0 HB ILE A 44 7.999 -6.606 -8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.466 -8.038 -9.053 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.653 -8.602 -7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.159 -4.997 -8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.386 -4.842 -9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.845 -5.666 -10.113 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.666 -7.734 -6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.087 -6.732 -6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.882 -6.159 -7.563 1.00 0.00 H new ATOM 695 N ASP A 45 8.722 -9.783 -10.027 1.00 0.00 N ATOM 696 CA ASP A 45 9.633 -10.845 -9.618 1.00 0.00 C ATOM 697 C ASP A 45 9.589 -11.046 -8.105 1.00 0.00 C ATOM 698 O ASP A 45 10.628 -11.120 -7.447 1.00 0.00 O ATOM 699 CB ASP A 45 11.061 -10.519 -10.059 1.00 0.00 C ATOM 700 CG ASP A 45 11.363 -11.021 -11.458 1.00 0.00 C ATOM 701 OD1 ASP A 45 11.725 -12.207 -11.597 1.00 0.00 O ATOM 702 OD2 ASP A 45 11.238 -10.226 -12.412 1.00 0.00 O ATOM 0 H ASP A 45 7.960 -10.091 -10.632 1.00 0.00 H new ATOM 0 HA ASP A 45 9.314 -11.769 -10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.212 -9.440 -10.023 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.766 -10.964 -9.356 1.00 0.00 H new ATOM 707 N LEU A 46 8.381 -11.134 -7.561 1.00 0.00 N ATOM 708 CA LEU A 46 8.200 -11.325 -6.127 1.00 0.00 C ATOM 709 C LEU A 46 7.311 -12.533 -5.846 1.00 0.00 C ATOM 710 O LEU A 46 6.394 -12.849 -6.604 1.00 0.00 O ATOM 711 CB LEU A 46 7.589 -10.071 -5.497 1.00 0.00 C ATOM 712 CG LEU A 46 8.566 -8.942 -5.168 1.00 0.00 C ATOM 713 CD1 LEU A 46 7.813 -7.685 -4.763 1.00 0.00 C ATOM 714 CD2 LEU A 46 9.525 -9.370 -4.065 1.00 0.00 C ATOM 0 H LEU A 46 7.512 -11.076 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 46 9.179 -11.506 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.829 -9.681 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.078 -10.362 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 46 9.148 -8.720 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.525 -6.893 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.169 -7.367 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.204 -7.893 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.213 -8.554 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.959 -9.620 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.090 -10.242 -4.393 1.00 0.00 H new ATOM 726 N PRO A 47 7.586 -13.224 -4.729 1.00 0.00 N ATOM 727 CA PRO A 47 6.821 -14.406 -4.321 1.00 0.00 C ATOM 728 C PRO A 47 5.407 -14.055 -3.873 1.00 0.00 C ATOM 729 O PRO A 47 5.204 -13.105 -3.118 1.00 0.00 O ATOM 730 CB PRO A 47 7.631 -14.964 -3.148 1.00 0.00 C ATOM 731 CG PRO A 47 8.366 -13.790 -2.601 1.00 0.00 C ATOM 732 CD PRO A 47 8.664 -12.903 -3.779 1.00 0.00 C ATOM 0 HA PRO A 47 6.692 -15.112 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.981 -15.410 -2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.319 -15.743 -3.477 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.765 -13.264 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.285 -14.102 -2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.654 -11.849 -3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.647 -13.112 -4.201 1.00 0.00 H new ATOM 740 N GLU A 48 4.432 -14.827 -4.344 1.00 0.00 N ATOM 741 CA GLU A 48 3.037 -14.596 -3.991 1.00 0.00 C ATOM 742 C GLU A 48 2.886 -14.371 -2.489 1.00 0.00 C ATOM 743 O GLU A 48 1.906 -13.781 -2.034 1.00 0.00 O ATOM 744 CB GLU A 48 2.174 -15.781 -4.429 1.00 0.00 C ATOM 745 CG GLU A 48 0.737 -15.401 -4.750 1.00 0.00 C ATOM 746 CD GLU A 48 -0.193 -16.598 -4.766 1.00 0.00 C ATOM 747 OE1 GLU A 48 0.208 -17.652 -5.302 1.00 0.00 O ATOM 748 OE2 GLU A 48 -1.321 -16.482 -4.244 1.00 0.00 O ATOM 0 H GLU A 48 4.583 -15.617 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 48 2.701 -13.699 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.624 -16.242 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.175 -16.532 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.383 -14.680 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.704 -14.907 -5.721 1.00 0.00 H new ATOM 755 N ALA A 49 3.863 -14.848 -1.724 1.00 0.00 N ATOM 756 CA ALA A 49 3.840 -14.698 -0.275 1.00 0.00 C ATOM 757 C ALA A 49 4.213 -13.278 0.137 1.00 0.00 C ATOM 758 O ALA A 49 3.645 -12.725 1.079 1.00 0.00 O ATOM 759 CB ALA A 49 4.781 -15.702 0.375 1.00 0.00 C ATOM 0 H ALA A 49 4.680 -15.341 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 49 2.824 -14.893 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.754 -15.578 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.468 -16.714 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.796 -15.534 0.016 1.00 0.00 H new ATOM 765 N ARG A 50 5.171 -12.693 -0.574 1.00 0.00 N ATOM 766 CA ARG A 50 5.622 -11.338 -0.281 1.00 0.00 C ATOM 767 C ARG A 50 4.494 -10.332 -0.494 1.00 0.00 C ATOM 768 O ARG A 50 4.133 -9.587 0.418 1.00 0.00 O ATOM 769 CB ARG A 50 6.818 -10.973 -1.163 1.00 0.00 C ATOM 770 CG ARG A 50 8.160 -11.323 -0.542 1.00 0.00 C ATOM 771 CD ARG A 50 8.642 -10.228 0.399 1.00 0.00 C ATOM 772 NE ARG A 50 9.624 -10.724 1.357 1.00 0.00 N ATOM 773 CZ ARG A 50 10.182 -9.967 2.297 1.00 0.00 C ATOM 774 NH1 ARG A 50 9.854 -8.687 2.401 1.00 0.00 N ATOM 775 NH2 ARG A 50 11.069 -10.491 3.133 1.00 0.00 N ATOM 0 H ARG A 50 5.650 -13.136 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 50 5.926 -11.302 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.724 -11.488 -2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.792 -9.904 -1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.075 -12.262 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.897 -11.478 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.080 -9.417 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.790 -9.811 0.936 1.00 0.00 H new ATOM 0 HE ARG A 50 9.898 -11.705 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.173 -8.281 1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.283 -8.108 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.324 -11.476 3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.496 -9.909 3.854 1.00 0.00 H new ATOM 789 N ILE A 51 3.942 -10.318 -1.702 1.00 0.00 N ATOM 790 CA ILE A 51 2.855 -9.405 -2.034 1.00 0.00 C ATOM 791 C ILE A 51 1.840 -9.321 -0.900 1.00 0.00 C ATOM 792 O ILE A 51 1.411 -8.234 -0.516 1.00 0.00 O ATOM 793 CB ILE A 51 2.131 -9.835 -3.324 1.00 0.00 C ATOM 794 CG1 ILE A 51 3.061 -9.686 -4.531 1.00 0.00 C ATOM 795 CG2 ILE A 51 0.865 -9.016 -3.520 1.00 0.00 C ATOM 796 CD1 ILE A 51 2.678 -10.565 -5.700 1.00 0.00 C ATOM 0 H ILE A 51 4.229 -10.928 -2.467 1.00 0.00 H new ATOM 0 HA ILE A 51 3.305 -8.424 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 51 1.850 -10.884 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.060 -8.645 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.080 -9.924 -4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.365 -9.332 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.198 -9.168 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.123 -7.959 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.380 -10.407 -6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.707 -11.611 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.671 -10.311 -6.031 1.00 0.00 H new ATOM 808 N GLN A 52 1.463 -10.478 -0.364 1.00 0.00 N ATOM 809 CA GLN A 52 0.500 -10.536 0.728 1.00 0.00 C ATOM 810 C GLN A 52 0.893 -9.582 1.851 1.00 0.00 C ATOM 811 O GLN A 52 0.049 -8.876 2.404 1.00 0.00 O ATOM 812 CB GLN A 52 0.395 -11.963 1.269 1.00 0.00 C ATOM 813 CG GLN A 52 0.517 -13.031 0.194 1.00 0.00 C ATOM 814 CD GLN A 52 -0.265 -14.286 0.527 1.00 0.00 C ATOM 815 OE1 GLN A 52 -1.308 -14.228 1.178 1.00 0.00 O ATOM 816 NE2 GLN A 52 0.236 -15.432 0.080 1.00 0.00 N ATOM 0 H GLN A 52 1.810 -11.387 -0.669 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.471 -10.230 0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.175 -12.119 2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.561 -12.080 1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.163 -12.628 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.568 -13.287 0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.104 -15.435 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.247 -16.309 0.273 1.00 0.00 H new ATOM 825 N VAL A 53 2.180 -9.567 2.185 1.00 0.00 N ATOM 826 CA VAL A 53 2.684 -8.699 3.243 1.00 0.00 C ATOM 827 C VAL A 53 2.681 -7.239 2.803 1.00 0.00 C ATOM 828 O VAL A 53 1.947 -6.417 3.351 1.00 0.00 O ATOM 829 CB VAL A 53 4.114 -9.096 3.659 1.00 0.00 C ATOM 830 CG1 VAL A 53 4.525 -8.358 4.924 1.00 0.00 C ATOM 831 CG2 VAL A 53 4.213 -10.601 3.854 1.00 0.00 C ATOM 0 H VAL A 53 2.892 -10.145 1.739 1.00 0.00 H new ATOM 0 HA VAL A 53 2.018 -8.819 4.097 1.00 0.00 H new ATOM 0 HB VAL A 53 4.799 -8.810 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.537 -8.650 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.494 -7.283 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.838 -8.611 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.229 -10.864 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.518 -10.913 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.963 -11.106 2.921 1.00 0.00 H new ATOM 841 N TRP A 54 3.506 -6.924 1.812 1.00 0.00 N ATOM 842 CA TRP A 54 3.598 -5.562 1.298 1.00 0.00 C ATOM 843 C TRP A 54 2.223 -4.905 1.246 1.00 0.00 C ATOM 844 O TRP A 54 2.098 -3.691 1.404 1.00 0.00 O ATOM 845 CB TRP A 54 4.230 -5.561 -0.095 1.00 0.00 C ATOM 846 CG TRP A 54 4.484 -4.186 -0.632 1.00 0.00 C ATOM 847 CD1 TRP A 54 5.678 -3.524 -0.657 1.00 0.00 C ATOM 848 CD2 TRP A 54 3.521 -3.303 -1.218 1.00 0.00 C ATOM 849 NE1 TRP A 54 5.516 -2.282 -1.225 1.00 0.00 N ATOM 850 CE2 TRP A 54 4.202 -2.123 -1.577 1.00 0.00 C ATOM 851 CE3 TRP A 54 2.151 -3.395 -1.476 1.00 0.00 C ATOM 852 CZ2 TRP A 54 3.557 -1.046 -2.179 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.513 -2.324 -2.073 1.00 0.00 C ATOM 854 CH2 TRP A 54 2.216 -1.163 -2.421 1.00 0.00 C ATOM 0 H TRP A 54 4.121 -7.593 1.348 1.00 0.00 H new ATOM 0 HA TRP A 54 4.229 -4.987 1.976 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.172 -6.109 -0.059 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.576 -6.097 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.612 -3.918 -0.285 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.254 -1.592 -1.362 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.601 -4.286 -1.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 4.097 -0.149 -2.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.454 -2.383 -2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.689 -0.345 -2.889 1.00 0.00 H new ATOM 865 N PHE A 55 1.193 -5.716 1.025 1.00 0.00 N ATOM 866 CA PHE A 55 -0.173 -5.212 0.953 1.00 0.00 C ATOM 867 C PHE A 55 -0.790 -5.109 2.345 1.00 0.00 C ATOM 868 O PHE A 55 -1.527 -4.168 2.641 1.00 0.00 O ATOM 869 CB PHE A 55 -1.029 -6.124 0.071 1.00 0.00 C ATOM 870 CG PHE A 55 -1.028 -5.730 -1.378 1.00 0.00 C ATOM 871 CD1 PHE A 55 0.117 -5.861 -2.145 1.00 0.00 C ATOM 872 CD2 PHE A 55 -2.174 -5.227 -1.974 1.00 0.00 C ATOM 873 CE1 PHE A 55 0.121 -5.497 -3.479 1.00 0.00 C ATOM 874 CE2 PHE A 55 -2.178 -4.863 -3.306 1.00 0.00 C ATOM 875 CZ PHE A 55 -1.028 -4.999 -4.061 1.00 0.00 C ATOM 0 H PHE A 55 1.279 -6.724 0.893 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.143 -4.215 0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.666 -7.148 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.054 -6.116 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.018 -6.252 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.075 -5.118 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.022 -5.602 -4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.078 -4.473 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.028 -4.716 -5.103 1.00 0.00 H new ATOM 885 N SER A 56 -0.482 -6.083 3.196 1.00 0.00 N ATOM 886 CA SER A 56 -1.009 -6.104 4.555 1.00 0.00 C ATOM 887 C SER A 56 -0.646 -4.822 5.299 1.00 0.00 C ATOM 888 O SER A 56 -1.477 -4.238 5.992 1.00 0.00 O ATOM 889 CB SER A 56 -0.470 -7.318 5.314 1.00 0.00 C ATOM 890 OG SER A 56 -1.279 -7.616 6.440 1.00 0.00 O ATOM 0 H SER A 56 0.129 -6.867 2.968 1.00 0.00 H new ATOM 0 HA SER A 56 -2.095 -6.174 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.435 -8.181 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.552 -7.124 5.638 1.00 0.00 H new ATOM 0 HG SER A 56 -0.915 -8.397 6.907 1.00 0.00 H new ATOM 896 N ASN A 57 0.602 -4.392 5.149 1.00 0.00 N ATOM 897 CA ASN A 57 1.077 -3.179 5.806 1.00 0.00 C ATOM 898 C ASN A 57 0.420 -1.942 5.204 1.00 0.00 C ATOM 899 O ASN A 57 0.098 -0.989 5.915 1.00 0.00 O ATOM 900 CB ASN A 57 2.599 -3.073 5.687 1.00 0.00 C ATOM 901 CG ASN A 57 3.320 -3.876 6.751 1.00 0.00 C ATOM 902 OD1 ASN A 57 3.511 -3.410 7.875 1.00 0.00 O ATOM 903 ND2 ASN A 57 3.726 -5.091 6.402 1.00 0.00 N ATOM 0 H ASN A 57 1.303 -4.865 4.579 1.00 0.00 H new ATOM 0 HA ASN A 57 0.805 -3.235 6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.909 -3.421 4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.894 -2.027 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.217 -5.678 7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.547 -5.438 5.460 1.00 0.00 H new ATOM 910 N ARG A 58 0.223 -1.963 3.890 1.00 0.00 N ATOM 911 CA ARG A 58 -0.395 -0.842 3.192 1.00 0.00 C ATOM 912 C ARG A 58 -1.782 -0.548 3.757 1.00 0.00 C ATOM 913 O ARG A 58 -2.071 0.578 4.161 1.00 0.00 O ATOM 914 CB ARG A 58 -0.495 -1.139 1.694 1.00 0.00 C ATOM 915 CG ARG A 58 0.839 -1.076 0.970 1.00 0.00 C ATOM 916 CD ARG A 58 1.263 0.362 0.707 1.00 0.00 C ATOM 917 NE ARG A 58 2.715 0.508 0.686 1.00 0.00 N ATOM 918 CZ ARG A 58 3.337 1.676 0.807 1.00 0.00 C ATOM 919 NH1 ARG A 58 2.637 2.791 0.957 1.00 0.00 N ATOM 920 NH2 ARG A 58 4.663 1.729 0.779 1.00 0.00 N ATOM 0 H ARG A 58 0.482 -2.744 3.287 1.00 0.00 H new ATOM 0 HA ARG A 58 0.233 0.037 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.927 -2.130 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.181 -0.427 1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.601 -1.578 1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.767 -1.614 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.851 0.693 -0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.844 1.010 1.477 1.00 0.00 H new ATOM 0 HE ARG A 58 3.283 -0.332 0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.618 2.754 0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.117 3.686 1.050 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.205 0.873 0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.140 2.626 0.872 1.00 0.00 H new ATOM 934 N ARG A 59 -2.634 -1.567 3.780 1.00 0.00 N ATOM 935 CA ARG A 59 -3.990 -1.417 4.295 1.00 0.00 C ATOM 936 C ARG A 59 -4.008 -0.517 5.525 1.00 0.00 C ATOM 937 O ARG A 59 -4.854 0.369 5.647 1.00 0.00 O ATOM 938 CB ARG A 59 -4.581 -2.785 4.640 1.00 0.00 C ATOM 939 CG ARG A 59 -4.622 -3.746 3.464 1.00 0.00 C ATOM 940 CD ARG A 59 -4.780 -5.186 3.926 1.00 0.00 C ATOM 941 NE ARG A 59 -4.779 -6.124 2.806 1.00 0.00 N ATOM 942 CZ ARG A 59 -4.539 -7.424 2.936 1.00 0.00 C ATOM 943 NH1 ARG A 59 -4.281 -7.937 4.131 1.00 0.00 N ATOM 944 NH2 ARG A 59 -4.557 -8.213 1.869 1.00 0.00 N ATOM 0 H ARG A 59 -2.410 -2.505 3.448 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.598 -0.952 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.995 -3.232 5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.593 -2.648 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.449 -3.481 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.706 -3.648 2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.970 -5.438 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.711 -5.288 4.483 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.973 -5.761 1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.267 -7.333 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.097 -8.936 4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.755 -7.821 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.373 -9.211 1.970 1.00 0.00 H new ATOM 958 N ALA A 60 -3.070 -0.751 6.438 1.00 0.00 N ATOM 959 CA ALA A 60 -2.978 0.040 7.659 1.00 0.00 C ATOM 960 C ALA A 60 -2.610 1.487 7.349 1.00 0.00 C ATOM 961 O ALA A 60 -3.090 2.414 8.003 1.00 0.00 O ATOM 962 CB ALA A 60 -1.960 -0.574 8.609 1.00 0.00 C ATOM 0 H ALA A 60 -2.363 -1.482 6.355 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.956 0.037 8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.901 0.026 9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.266 -1.589 8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.983 -0.600 8.127 1.00 0.00 H new ATOM 968 N LYS A 61 -1.755 1.675 6.350 1.00 0.00 N ATOM 969 CA LYS A 61 -1.323 3.009 5.953 1.00 0.00 C ATOM 970 C LYS A 61 -2.428 3.736 5.193 1.00 0.00 C ATOM 971 O LYS A 61 -2.447 4.964 5.131 1.00 0.00 O ATOM 972 CB LYS A 61 -0.065 2.924 5.087 1.00 0.00 C ATOM 973 CG LYS A 61 0.291 4.231 4.400 1.00 0.00 C ATOM 974 CD LYS A 61 1.689 4.185 3.806 1.00 0.00 C ATOM 975 CE LYS A 61 2.322 5.568 3.766 1.00 0.00 C ATOM 976 NZ LYS A 61 3.023 5.894 5.038 1.00 0.00 N ATOM 0 H LYS A 61 -1.347 0.919 5.800 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.096 3.574 6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.773 2.610 5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.207 2.152 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.433 4.438 3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.226 5.050 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.314 3.514 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.644 3.775 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.029 5.620 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.551 6.315 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.441 6.844 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.344 5.870 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.775 5.196 5.208 1.00 0.00 H new ATOM 990 N TRP A 62 -3.347 2.968 4.619 1.00 0.00 N ATOM 991 CA TRP A 62 -4.457 3.540 3.864 1.00 0.00 C ATOM 992 C TRP A 62 -5.634 3.854 4.780 1.00 0.00 C ATOM 993 O TRP A 62 -6.210 4.940 4.716 1.00 0.00 O ATOM 994 CB TRP A 62 -4.897 2.578 2.758 1.00 0.00 C ATOM 995 CG TRP A 62 -5.980 3.135 1.884 1.00 0.00 C ATOM 996 CD1 TRP A 62 -5.823 3.977 0.820 1.00 0.00 C ATOM 997 CD2 TRP A 62 -7.386 2.890 2.000 1.00 0.00 C ATOM 998 NE1 TRP A 62 -7.046 4.271 0.268 1.00 0.00 N ATOM 999 CE2 TRP A 62 -8.021 3.615 0.972 1.00 0.00 C ATOM 1000 CE3 TRP A 62 -8.169 2.127 2.869 1.00 0.00 C ATOM 1001 CZ2 TRP A 62 -9.402 3.600 0.795 1.00 0.00 C ATOM 1002 CZ3 TRP A 62 -9.540 2.113 2.691 1.00 0.00 C ATOM 1003 CH2 TRP A 62 -10.145 2.845 1.661 1.00 0.00 C ATOM 0 H TRP A 62 -3.346 1.949 4.662 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.115 4.471 3.412 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -4.035 2.326 2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -5.246 1.650 3.211 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.876 4.356 0.465 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.203 4.879 -0.536 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.712 1.558 3.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.870 4.164 0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -10.155 1.527 3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.219 2.813 1.548 1.00 0.00 H new ATOM 1014 N ARG A 63 -5.986 2.897 5.633 1.00 0.00 N ATOM 1015 CA ARG A 63 -7.096 3.073 6.562 1.00 0.00 C ATOM 1016 C ARG A 63 -6.789 4.174 7.573 1.00 0.00 C ATOM 1017 O ARG A 63 -7.698 4.813 8.105 1.00 0.00 O ATOM 1018 CB ARG A 63 -7.389 1.762 7.293 1.00 0.00 C ATOM 1019 CG ARG A 63 -7.883 0.652 6.380 1.00 0.00 C ATOM 1020 CD ARG A 63 -7.723 -0.715 7.027 1.00 0.00 C ATOM 1021 NE ARG A 63 -8.897 -1.091 7.810 1.00 0.00 N ATOM 1022 CZ ARG A 63 -8.939 -2.150 8.610 1.00 0.00 C ATOM 1023 NH1 ARG A 63 -7.877 -2.935 8.732 1.00 0.00 N ATOM 1024 NH2 ARG A 63 -10.044 -2.426 9.291 1.00 0.00 N ATOM 0 H ARG A 63 -5.519 1.993 5.700 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.975 3.365 5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.483 1.428 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.136 1.946 8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.932 0.820 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.330 0.678 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.548 -1.463 6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.844 -0.710 7.671 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.731 -0.508 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.026 -2.726 8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.912 -3.748 9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.863 -1.824 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.075 -3.240 9.905 1.00 0.00 H new ATOM 1038 N ARG A 64 -5.504 4.390 7.835 1.00 0.00 N ATOM 1039 CA ARG A 64 -5.078 5.412 8.782 1.00 0.00 C ATOM 1040 C ARG A 64 -5.005 6.780 8.110 1.00 0.00 C ATOM 1041 O ARG A 64 -5.342 7.798 8.715 1.00 0.00 O ATOM 1042 CB ARG A 64 -3.716 5.050 9.377 1.00 0.00 C ATOM 1043 CG ARG A 64 -2.541 5.550 8.555 1.00 0.00 C ATOM 1044 CD ARG A 64 -1.220 5.321 9.273 1.00 0.00 C ATOM 1045 NE ARG A 64 -0.973 6.331 10.299 1.00 0.00 N ATOM 1046 CZ ARG A 64 0.113 6.353 11.063 1.00 0.00 C ATOM 1047 NH1 ARG A 64 1.049 5.425 10.917 1.00 0.00 N ATOM 1048 NH2 ARG A 64 0.267 7.305 11.975 1.00 0.00 N ATOM 0 H ARG A 64 -4.740 3.870 7.404 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.816 5.459 9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.647 5.464 10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.647 3.966 9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.526 5.040 7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.665 6.613 8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.223 4.332 9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.406 5.334 8.548 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.673 7.060 10.436 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.936 4.692 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.882 5.444 11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.450 8.022 12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.102 7.320 12.561 1.00 0.00 H new ATOM 1062 N GLU A 65 -4.561 6.795 6.858 1.00 0.00 N ATOM 1063 CA GLU A 65 -4.442 8.038 6.105 1.00 0.00 C ATOM 1064 C GLU A 65 -5.815 8.554 5.687 1.00 0.00 C ATOM 1065 O GLU A 65 -6.153 9.714 5.925 1.00 0.00 O ATOM 1066 CB GLU A 65 -3.565 7.830 4.868 1.00 0.00 C ATOM 1067 CG GLU A 65 -2.078 7.968 5.147 1.00 0.00 C ATOM 1068 CD GLU A 65 -1.282 8.322 3.906 1.00 0.00 C ATOM 1069 OE1 GLU A 65 -0.880 7.394 3.173 1.00 0.00 O ATOM 1070 OE2 GLU A 65 -1.061 9.528 3.667 1.00 0.00 O ATOM 0 H GLU A 65 -4.278 5.961 6.343 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.975 8.781 6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.759 6.839 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.852 8.553 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.924 8.737 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.701 7.033 5.561 1.00 0.00 H new ATOM 1077 N GLU A 66 -6.603 7.685 5.061 1.00 0.00 N ATOM 1078 CA GLU A 66 -7.939 8.053 4.608 1.00 0.00 C ATOM 1079 C GLU A 66 -8.635 8.942 5.634 1.00 0.00 C ATOM 1080 O GLU A 66 -9.465 9.783 5.284 1.00 0.00 O ATOM 1081 CB GLU A 66 -8.778 6.801 4.351 1.00 0.00 C ATOM 1082 CG GLU A 66 -9.825 6.981 3.264 1.00 0.00 C ATOM 1083 CD GLU A 66 -10.550 8.309 3.367 1.00 0.00 C ATOM 1084 OE1 GLU A 66 -11.431 8.437 4.242 1.00 0.00 O ATOM 1085 OE2 GLU A 66 -10.234 9.219 2.572 1.00 0.00 O ATOM 0 H GLU A 66 -6.339 6.721 4.856 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.838 8.611 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.116 5.981 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.274 6.510 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.346 6.907 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.550 6.170 3.325 1.00 0.00 H new ATOM 1092 N LYS A 67 -8.292 8.752 6.904 1.00 0.00 N ATOM 1093 CA LYS A 67 -8.882 9.535 7.983 1.00 0.00 C ATOM 1094 C LYS A 67 -8.167 10.874 8.136 1.00 0.00 C ATOM 1095 O LYS A 67 -8.797 11.933 8.116 1.00 0.00 O ATOM 1096 CB LYS A 67 -8.819 8.758 9.299 1.00 0.00 C ATOM 1097 CG LYS A 67 -9.382 9.522 10.484 1.00 0.00 C ATOM 1098 CD LYS A 67 -9.703 8.594 11.645 1.00 0.00 C ATOM 1099 CE LYS A 67 -10.147 9.373 12.874 1.00 0.00 C ATOM 1100 NZ LYS A 67 -10.516 8.469 13.999 1.00 0.00 N ATOM 0 H LYS A 67 -7.607 8.061 7.211 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.925 9.726 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.368 7.823 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.782 8.495 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.663 10.275 10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.285 10.052 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.489 7.899 11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.824 7.997 11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.345 10.039 13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.000 10.001 12.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.813 9.037 14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.298 7.850 13.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.694 7.887 14.261 1.00 0.00 H new ATOM 1114 N LEU A 68 -6.849 10.821 8.288 1.00 0.00 N ATOM 1115 CA LEU A 68 -6.048 12.030 8.445 1.00 0.00 C ATOM 1116 C LEU A 68 -6.308 13.007 7.303 1.00 0.00 C ATOM 1117 O LEU A 68 -6.406 14.216 7.516 1.00 0.00 O ATOM 1118 CB LEU A 68 -4.560 11.676 8.499 1.00 0.00 C ATOM 1119 CG LEU A 68 -4.164 10.598 9.507 1.00 0.00 C ATOM 1120 CD1 LEU A 68 -2.865 9.926 9.086 1.00 0.00 C ATOM 1121 CD2 LEU A 68 -4.030 11.193 10.901 1.00 0.00 C ATOM 0 H LEU A 68 -6.312 9.954 8.306 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.336 12.508 9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.248 11.350 7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.999 12.582 8.727 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.950 9.843 9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.598 9.161 9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.995 9.465 8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.071 10.670 9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.748 10.410 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.264 11.968 10.894 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.983 11.627 11.204 1.00 0.00 H new ATOM 1133 N ARG A 69 -6.423 12.474 6.090 1.00 0.00 N ATOM 1134 CA ARG A 69 -6.673 13.300 4.914 1.00 0.00 C ATOM 1135 C ARG A 69 -7.814 14.280 5.171 1.00 0.00 C ATOM 1136 O ARG A 69 -7.673 15.482 4.952 1.00 0.00 O ATOM 1137 CB ARG A 69 -7.006 12.419 3.708 1.00 0.00 C ATOM 1138 CG ARG A 69 -6.760 13.098 2.371 1.00 0.00 C ATOM 1139 CD ARG A 69 -6.518 12.082 1.266 1.00 0.00 C ATOM 1140 NE ARG A 69 -6.506 12.703 -0.056 1.00 0.00 N ATOM 1141 CZ ARG A 69 -7.607 13.000 -0.738 1.00 0.00 C ATOM 1142 NH1 ARG A 69 -8.800 12.734 -0.225 1.00 0.00 N ATOM 1143 NH2 ARG A 69 -7.515 13.565 -1.935 1.00 0.00 N ATOM 0 H ARG A 69 -6.347 11.475 5.896 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.768 13.869 4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.409 11.508 3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.052 12.118 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.618 13.719 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.899 13.761 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.567 11.579 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.294 11.317 1.300 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.603 12.920 -0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.874 12.300 0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.644 12.963 -0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.599 13.772 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.361 13.793 -2.458 1.00 0.00 H new ATOM 1157 N ASN A 70 -8.944 13.757 5.636 1.00 0.00 N ATOM 1158 CA ASN A 70 -10.109 14.586 5.922 1.00 0.00 C ATOM 1159 C ASN A 70 -9.817 15.563 7.056 1.00 0.00 C ATOM 1160 O ASN A 70 -10.203 16.730 6.999 1.00 0.00 O ATOM 1161 CB ASN A 70 -11.308 13.709 6.286 1.00 0.00 C ATOM 1162 CG ASN A 70 -12.628 14.438 6.126 1.00 0.00 C ATOM 1163 OD1 ASN A 70 -12.821 15.193 5.172 1.00 0.00 O ATOM 1164 ND2 ASN A 70 -13.543 14.215 7.062 1.00 0.00 N ATOM 0 H ASN A 70 -9.077 12.763 5.823 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.345 15.159 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.309 12.820 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.206 13.369 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.450 14.678 7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.338 13.581 7.834 1.00 0.00 H new ATOM 1171 N GLN A 71 -9.131 15.077 8.086 1.00 0.00 N ATOM 1172 CA GLN A 71 -8.787 15.907 9.234 1.00 0.00 C ATOM 1173 C GLN A 71 -8.168 17.227 8.785 1.00 0.00 C ATOM 1174 O GLN A 71 -8.505 18.291 9.308 1.00 0.00 O ATOM 1175 CB GLN A 71 -7.819 15.164 10.156 1.00 0.00 C ATOM 1176 CG GLN A 71 -8.395 13.885 10.741 1.00 0.00 C ATOM 1177 CD GLN A 71 -7.597 13.372 11.922 1.00 0.00 C ATOM 1178 OE1 GLN A 71 -6.479 13.823 12.174 1.00 0.00 O ATOM 1179 NE2 GLN A 71 -8.168 12.423 12.656 1.00 0.00 N ATOM 0 H GLN A 71 -8.803 14.113 8.149 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.704 16.124 9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.913 14.923 9.599 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.526 15.826 10.971 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.424 14.064 11.053 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.425 13.118 9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.096 12.078 12.411 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.678 12.039 13.464 1.00 0.00 H new ATOM 1188 N ARG A 72 -7.264 17.152 7.815 1.00 0.00 N ATOM 1189 CA ARG A 72 -6.597 18.340 7.297 1.00 0.00 C ATOM 1190 C ARG A 72 -7.410 18.972 6.172 1.00 0.00 C ATOM 1191 O ARG A 72 -7.395 20.190 5.988 1.00 0.00 O ATOM 1192 CB ARG A 72 -5.197 17.988 6.793 1.00 0.00 C ATOM 1193 CG ARG A 72 -4.223 19.154 6.833 1.00 0.00 C ATOM 1194 CD ARG A 72 -3.613 19.325 8.214 1.00 0.00 C ATOM 1195 NE ARG A 72 -4.630 19.561 9.237 1.00 0.00 N ATOM 1196 CZ ARG A 72 -5.227 20.732 9.422 1.00 0.00 C ATOM 1197 NH1 ARG A 72 -4.911 21.770 8.660 1.00 0.00 N ATOM 1198 NH2 ARG A 72 -6.143 20.869 10.373 1.00 0.00 N ATOM 0 H ARG A 72 -6.976 16.280 7.371 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.511 19.061 8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.798 17.172 7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.270 17.622 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.431 18.992 6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.739 20.070 6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.041 18.433 8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.912 20.160 8.200 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.895 18.784 9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.207 21.670 7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.372 22.668 8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.389 20.074 10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.601 21.769 10.514 1.00 0.00 H new ATOM 1212 N ARG A 73 -8.120 18.137 5.420 1.00 0.00 N ATOM 1213 CA ARG A 73 -8.937 18.613 4.310 1.00 0.00 C ATOM 1214 C ARG A 73 -9.696 19.879 4.699 1.00 0.00 C ATOM 1215 O ARG A 73 -10.183 20.001 5.822 1.00 0.00 O ATOM 1216 CB ARG A 73 -9.923 17.529 3.873 1.00 0.00 C ATOM 1217 CG ARG A 73 -10.653 17.854 2.580 1.00 0.00 C ATOM 1218 CD ARG A 73 -11.882 16.977 2.397 1.00 0.00 C ATOM 1219 NE ARG A 73 -12.764 17.483 1.349 1.00 0.00 N ATOM 1220 CZ ARG A 73 -13.879 16.868 0.968 1.00 0.00 C ATOM 1221 NH1 ARG A 73 -14.245 15.733 1.545 1.00 0.00 N ATOM 1222 NH2 ARG A 73 -14.630 17.391 0.007 1.00 0.00 N ATOM 0 H ARG A 73 -8.146 17.127 5.559 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.274 18.848 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.385 16.589 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.656 17.376 4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.950 18.903 2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.978 17.716 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.570 15.962 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.431 16.921 3.337 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.511 18.355 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.670 15.328 2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.101 15.264 1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.352 18.265 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.486 16.919 -0.285 1.00 0.00 H new ATOM 1236 N GLN A 74 -9.791 20.817 3.762 1.00 0.00 N ATOM 1237 CA GLN A 74 -10.489 22.073 4.008 1.00 0.00 C ATOM 1238 C GLN A 74 -11.769 21.838 4.802 1.00 0.00 C ATOM 1239 O GLN A 74 -12.068 22.569 5.748 1.00 0.00 O ATOM 1240 CB GLN A 74 -10.817 22.766 2.684 1.00 0.00 C ATOM 1241 CG GLN A 74 -11.233 24.220 2.845 1.00 0.00 C ATOM 1242 CD GLN A 74 -10.051 25.167 2.862 1.00 0.00 C ATOM 1243 OE1 GLN A 74 -9.366 25.306 3.877 1.00 0.00 O ATOM 1244 NE2 GLN A 74 -9.803 25.825 1.735 1.00 0.00 N ATOM 0 H GLN A 74 -9.394 20.731 2.826 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.832 22.716 4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.945 22.716 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.619 22.220 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.902 24.495 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.797 24.332 3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.396 25.679 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.019 26.476 1.686 1.00 0.00 H new ATOM 1253 N SER A 75 -12.522 20.814 4.413 1.00 0.00 N ATOM 1254 CA SER A 75 -13.773 20.485 5.087 1.00 0.00 C ATOM 1255 C SER A 75 -13.569 20.393 6.596 1.00 0.00 C ATOM 1256 O SER A 75 -12.796 19.566 7.080 1.00 0.00 O ATOM 1257 CB SER A 75 -14.332 19.165 4.555 1.00 0.00 C ATOM 1258 OG SER A 75 -14.832 19.317 3.237 1.00 0.00 O ATOM 0 H SER A 75 -12.288 20.198 3.635 1.00 0.00 H new ATOM 0 HA SER A 75 -14.488 21.282 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.551 18.405 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.128 18.813 5.211 1.00 0.00 H new ATOM 0 HG SER A 75 -15.182 18.459 2.919 1.00 0.00 H new ATOM 1264 N GLY A 76 -14.269 21.247 7.336 1.00 0.00 N ATOM 1265 CA GLY A 76 -14.152 21.247 8.782 1.00 0.00 C ATOM 1266 C GLY A 76 -13.949 22.638 9.348 1.00 0.00 C ATOM 1267 O GLY A 76 -14.904 23.365 9.623 1.00 0.00 O ATOM 0 H GLY A 76 -14.916 21.940 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.051 20.809 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.315 20.613 9.076 1.00 0.00 H new ATOM 1271 N PRO A 77 -12.679 23.027 9.533 1.00 0.00 N ATOM 1272 CA PRO A 77 -12.324 24.343 10.073 1.00 0.00 C ATOM 1273 C PRO A 77 -12.631 25.472 9.096 1.00 0.00 C ATOM 1274 O PRO A 77 -11.890 25.696 8.139 1.00 0.00 O ATOM 1275 CB PRO A 77 -10.814 24.234 10.309 1.00 0.00 C ATOM 1276 CG PRO A 77 -10.355 23.190 9.349 1.00 0.00 C ATOM 1277 CD PRO A 77 -11.491 22.212 9.227 1.00 0.00 C ATOM 0 HA PRO A 77 -12.893 24.583 10.971 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.315 25.186 10.127 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.594 23.950 11.338 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.112 23.629 8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.453 22.697 9.711 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -11.545 21.782 8.227 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -11.383 21.382 9.925 1.00 0.00 H new ATOM 1285 N SER A 78 -13.726 26.181 9.344 1.00 0.00 N ATOM 1286 CA SER A 78 -14.133 27.287 8.484 1.00 0.00 C ATOM 1287 C SER A 78 -13.446 28.583 8.904 1.00 0.00 C ATOM 1288 O SER A 78 -13.932 29.302 9.778 1.00 0.00 O ATOM 1289 CB SER A 78 -15.651 27.464 8.528 1.00 0.00 C ATOM 1290 OG SER A 78 -16.097 28.311 7.483 1.00 0.00 O ATOM 0 H SER A 78 -14.348 26.010 10.134 1.00 0.00 H new ATOM 0 HA SER A 78 -13.832 27.050 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.136 26.492 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.943 27.884 9.490 1.00 0.00 H new ATOM 0 HG SER A 78 -17.071 28.407 7.533 1.00 0.00 H new ATOM 1296 N SER A 79 -12.312 28.876 8.274 1.00 0.00 N ATOM 1297 CA SER A 79 -11.555 30.083 8.585 1.00 0.00 C ATOM 1298 C SER A 79 -10.673 30.488 7.407 1.00 0.00 C ATOM 1299 O SER A 79 -10.037 29.647 6.774 1.00 0.00 O ATOM 1300 CB SER A 79 -10.694 29.864 9.830 1.00 0.00 C ATOM 1301 OG SER A 79 -11.498 29.735 10.990 1.00 0.00 O ATOM 0 H SER A 79 -11.898 28.294 7.546 1.00 0.00 H new ATOM 0 HA SER A 79 -12.264 30.888 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.087 28.968 9.703 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.006 30.700 9.952 1.00 0.00 H new ATOM 0 HG SER A 79 -12.442 29.685 10.730 1.00 0.00 H new ATOM 1307 N GLY A 80 -10.641 31.786 7.119 1.00 0.00 N ATOM 1308 CA GLY A 80 -9.835 32.282 6.019 1.00 0.00 C ATOM 1309 C GLY A 80 -10.291 33.644 5.534 1.00 0.00 C ATOM 1310 O GLY A 80 -10.225 34.627 6.272 1.00 0.00 O ATOM 0 H GLY A 80 -11.159 32.502 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.793 32.342 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.878 31.572 5.193 1.00 0.00 H new TER 1314 GLY A 80