USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 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 97 ASN : amide:sc= -6.08! K(o=-5.6!,f=-2.5) USER MOD Set 1.2: A 98 ASN : amide:sc= 0.473 K(o=-5.6,f=-3.7) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 32 GLN : amide:sc= -2.43 K(o=-2.4,f=-4.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -53:sc= 0.252 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 8:sc= 0.17 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 79:sc= 0.848 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0993 K(o=-0.099,f=-1.5!) USER MOD Single : A 18 THR OG1 : rot -83:sc= 0.845 USER MOD Single : A 19 THR OG1 : rot 60:sc= 1.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -130:sc= 0 (180deg=-0.302) USER MOD Single : A 30 HIS : no HE2:sc= -0.625 K(o=-0.62,f=-3.6!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.0797 (180deg=-0.359) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.477 USER MOD Single : A 39 ASN : amide:sc= -0.997 K(o=-1,f=-0.43) USER MOD Single : A 40 CYS SG : rot 88:sc= -1.38 USER MOD Single : A 42 THR OG1 : rot -86:sc= 0.0065 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.2) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 68 GLN : amide:sc= -0.0822 K(o=-0.082,f=-1.6!) USER MOD Single : A 69 THR OG1 : rot 80:sc= -0.823 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0114) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.75 K(o=-1.7,f=-7!) USER MOD Single : A 80 HIS : no HD1:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -2.28 K(o=-2.3,f=-12!) USER MOD Single : A 99 GLN : amide:sc= -1.7! C(o=-1.7!,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.541 -8.196 -1.081 1.00 0.00 N ATOM 2 CA GLY A 1 33.681 -9.080 -1.846 1.00 0.00 C ATOM 3 C GLY A 1 32.294 -8.504 -2.052 1.00 0.00 C ATOM 4 O GLY A 1 31.612 -8.150 -1.090 1.00 0.00 O ATOM 0 H1 GLY A 1 35.477 -8.635 -0.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.642 -7.290 -1.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.121 -8.029 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.137 -9.276 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.601 -10.038 -1.332 1.00 0.00 H new ATOM 8 N SER A 2 31.876 -8.408 -3.310 1.00 0.00 N ATOM 9 CA SER A 2 30.563 -7.865 -3.640 1.00 0.00 C ATOM 10 C SER A 2 30.431 -6.427 -3.149 1.00 0.00 C ATOM 11 O SER A 2 29.395 -6.036 -2.610 1.00 0.00 O ATOM 12 CB SER A 2 29.461 -8.730 -3.025 1.00 0.00 C ATOM 13 OG SER A 2 28.192 -8.393 -3.557 1.00 0.00 O ATOM 0 H SER A 2 32.427 -8.699 -4.117 1.00 0.00 H new ATOM 0 HA SER A 2 30.456 -7.871 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.671 -9.782 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.452 -8.598 -1.943 1.00 0.00 H new ATOM 0 HG SER A 2 28.044 -7.429 -3.464 1.00 0.00 H new ATOM 19 N SER A 3 31.488 -5.644 -3.339 1.00 0.00 N ATOM 20 CA SER A 3 31.492 -4.249 -2.913 1.00 0.00 C ATOM 21 C SER A 3 31.440 -3.313 -4.116 1.00 0.00 C ATOM 22 O SER A 3 32.392 -3.224 -4.890 1.00 0.00 O ATOM 23 CB SER A 3 32.739 -3.954 -2.077 1.00 0.00 C ATOM 24 OG SER A 3 32.581 -4.414 -0.746 1.00 0.00 O ATOM 0 H SER A 3 32.352 -5.951 -3.785 1.00 0.00 H new ATOM 0 HA SER A 3 30.605 -4.078 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.606 -4.434 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.933 -2.881 -2.074 1.00 0.00 H new ATOM 0 HG SER A 3 33.392 -4.215 -0.233 1.00 0.00 H new ATOM 30 N GLY A 4 30.318 -2.615 -4.267 1.00 0.00 N ATOM 31 CA GLY A 4 30.161 -1.694 -5.377 1.00 0.00 C ATOM 32 C GLY A 4 28.755 -1.134 -5.471 1.00 0.00 C ATOM 33 O GLY A 4 28.018 -1.442 -6.407 1.00 0.00 O ATOM 0 H GLY A 4 29.515 -2.671 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.869 -0.873 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.408 -2.205 -6.307 1.00 0.00 H new ATOM 37 N SER A 5 28.383 -0.309 -4.498 1.00 0.00 N ATOM 38 CA SER A 5 27.054 0.292 -4.471 1.00 0.00 C ATOM 39 C SER A 5 27.101 1.687 -3.856 1.00 0.00 C ATOM 40 O SER A 5 28.052 2.038 -3.158 1.00 0.00 O ATOM 41 CB SER A 5 26.087 -0.593 -3.683 1.00 0.00 C ATOM 42 OG SER A 5 25.699 -1.726 -4.441 1.00 0.00 O ATOM 0 H SER A 5 28.983 -0.041 -3.718 1.00 0.00 H new ATOM 0 HA SER A 5 26.701 0.379 -5.498 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.559 -0.917 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.204 -0.016 -3.407 1.00 0.00 H new ATOM 0 HG SER A 5 26.236 -1.772 -5.259 1.00 0.00 H new ATOM 48 N SER A 6 26.066 2.478 -4.121 1.00 0.00 N ATOM 49 CA SER A 6 25.990 3.837 -3.598 1.00 0.00 C ATOM 50 C SER A 6 24.538 4.263 -3.402 1.00 0.00 C ATOM 51 O SER A 6 23.637 3.767 -4.077 1.00 0.00 O ATOM 52 CB SER A 6 26.695 4.811 -4.544 1.00 0.00 C ATOM 53 OG SER A 6 26.402 6.155 -4.203 1.00 0.00 O ATOM 0 H SER A 6 25.269 2.201 -4.694 1.00 0.00 H new ATOM 0 HA SER A 6 26.490 3.855 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.772 4.648 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.383 4.616 -5.570 1.00 0.00 H new ATOM 0 HG SER A 6 26.866 6.758 -4.821 1.00 0.00 H new ATOM 59 N GLY A 7 24.319 5.186 -2.470 1.00 0.00 N ATOM 60 CA GLY A 7 22.975 5.663 -2.200 1.00 0.00 C ATOM 61 C GLY A 7 22.171 4.688 -1.364 1.00 0.00 C ATOM 62 O GLY A 7 20.999 4.435 -1.648 1.00 0.00 O ATOM 0 H GLY A 7 25.048 5.612 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.030 6.621 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.459 5.839 -3.144 1.00 0.00 H new ATOM 66 N TYR A 8 22.799 4.137 -0.332 1.00 0.00 N ATOM 67 CA TYR A 8 22.135 3.180 0.545 1.00 0.00 C ATOM 68 C TYR A 8 21.108 3.876 1.433 1.00 0.00 C ATOM 69 O TYR A 8 19.944 3.479 1.483 1.00 0.00 O ATOM 70 CB TYR A 8 23.164 2.452 1.412 1.00 0.00 C ATOM 71 CG TYR A 8 24.247 3.356 1.955 1.00 0.00 C ATOM 72 CD1 TYR A 8 25.376 3.651 1.202 1.00 0.00 C ATOM 73 CD2 TYR A 8 24.140 3.916 3.223 1.00 0.00 C ATOM 74 CE1 TYR A 8 26.368 4.477 1.695 1.00 0.00 C ATOM 75 CE2 TYR A 8 25.127 4.744 3.723 1.00 0.00 C ATOM 76 CZ TYR A 8 26.239 5.020 2.956 1.00 0.00 C ATOM 77 OH TYR A 8 27.224 5.844 3.450 1.00 0.00 O ATOM 0 H TYR A 8 23.768 4.337 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 8 21.616 2.453 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 8 22.650 1.973 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.626 1.659 0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 8 25.480 3.227 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.271 3.700 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 8 27.240 4.696 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 8 25.028 5.173 4.709 1.00 0.00 H new ATOM 0 HH TYR A 8 26.979 6.143 4.351 1.00 0.00 H new ATOM 87 N ARG A 9 21.548 4.918 2.131 1.00 0.00 N ATOM 88 CA ARG A 9 20.668 5.671 3.017 1.00 0.00 C ATOM 89 C ARG A 9 19.252 5.733 2.453 1.00 0.00 C ATOM 90 O ARG A 9 18.289 5.367 3.125 1.00 0.00 O ATOM 91 CB ARG A 9 21.209 7.087 3.225 1.00 0.00 C ATOM 92 CG ARG A 9 20.342 7.942 4.134 1.00 0.00 C ATOM 93 CD ARG A 9 20.644 7.679 5.601 1.00 0.00 C ATOM 94 NE ARG A 9 21.804 8.434 6.066 1.00 0.00 N ATOM 95 CZ ARG A 9 21.766 9.728 6.366 1.00 0.00 C ATOM 96 NH1 ARG A 9 20.633 10.405 6.252 1.00 0.00 N ATOM 97 NH2 ARG A 9 22.865 10.345 6.782 1.00 0.00 N ATOM 0 H ARG A 9 22.508 5.260 2.100 1.00 0.00 H new ATOM 0 HA ARG A 9 20.635 5.157 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.212 7.025 3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.300 7.578 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.508 8.996 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 9 19.290 7.735 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.775 7.944 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.822 6.614 5.749 1.00 0.00 H new ATOM 0 HE ARG A 9 22.692 7.942 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 9 19.787 9.933 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.607 11.398 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.738 9.826 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.836 11.338 7.012 1.00 0.00 H new ATOM 111 N ALA A 10 19.134 6.200 1.214 1.00 0.00 N ATOM 112 CA ALA A 10 17.837 6.309 0.559 1.00 0.00 C ATOM 113 C ALA A 10 17.212 4.935 0.346 1.00 0.00 C ATOM 114 O ALA A 10 16.056 4.705 0.702 1.00 0.00 O ATOM 115 CB ALA A 10 17.976 7.039 -0.769 1.00 0.00 C ATOM 0 H ALA A 10 19.922 6.509 0.644 1.00 0.00 H new ATOM 0 HA ALA A 10 17.177 6.883 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.999 7.113 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.372 8.040 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.657 6.488 -1.418 1.00 0.00 H new ATOM 121 N THR A 11 17.983 4.023 -0.237 1.00 0.00 N ATOM 122 CA THR A 11 17.505 2.671 -0.499 1.00 0.00 C ATOM 123 C THR A 11 16.863 2.065 0.744 1.00 0.00 C ATOM 124 O THR A 11 15.814 1.425 0.665 1.00 0.00 O ATOM 125 CB THR A 11 18.646 1.753 -0.974 1.00 0.00 C ATOM 126 OG1 THR A 11 19.204 2.255 -2.194 1.00 0.00 O ATOM 127 CG2 THR A 11 18.146 0.332 -1.186 1.00 0.00 C ATOM 0 H THR A 11 18.942 4.196 -0.537 1.00 0.00 H new ATOM 0 HA THR A 11 16.759 2.747 -1.290 1.00 0.00 H new ATOM 0 HB THR A 11 19.415 1.739 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.812 2.998 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.970 -0.297 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.750 -0.058 -0.248 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.359 0.332 -1.940 1.00 0.00 H new ATOM 135 N LYS A 12 17.500 2.270 1.892 1.00 0.00 N ATOM 136 CA LYS A 12 16.991 1.745 3.154 1.00 0.00 C ATOM 137 C LYS A 12 15.519 2.102 3.337 1.00 0.00 C ATOM 138 O LYS A 12 14.663 1.221 3.424 1.00 0.00 O ATOM 139 CB LYS A 12 17.809 2.293 4.325 1.00 0.00 C ATOM 140 CG LYS A 12 19.035 1.459 4.654 1.00 0.00 C ATOM 141 CD LYS A 12 18.730 0.414 5.714 1.00 0.00 C ATOM 142 CE LYS A 12 18.280 -0.898 5.090 1.00 0.00 C ATOM 143 NZ LYS A 12 18.005 -1.937 6.121 1.00 0.00 N ATOM 0 H LYS A 12 18.370 2.796 1.975 1.00 0.00 H new ATOM 0 HA LYS A 12 17.084 0.659 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.124 3.310 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.171 2.350 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.395 0.968 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.836 2.110 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.617 0.243 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.952 0.787 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.382 -0.729 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.050 -1.258 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.701 -2.816 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.869 -2.117 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.253 -1.604 6.757 1.00 0.00 H new ATOM 157 N LEU A 13 15.232 3.397 3.394 1.00 0.00 N ATOM 158 CA LEU A 13 13.863 3.871 3.566 1.00 0.00 C ATOM 159 C LEU A 13 12.901 3.090 2.675 1.00 0.00 C ATOM 160 O LEU A 13 12.019 2.385 3.166 1.00 0.00 O ATOM 161 CB LEU A 13 13.774 5.364 3.245 1.00 0.00 C ATOM 162 CG LEU A 13 14.605 6.291 4.134 1.00 0.00 C ATOM 163 CD1 LEU A 13 14.747 7.661 3.489 1.00 0.00 C ATOM 164 CD2 LEU A 13 13.975 6.412 5.514 1.00 0.00 C ATOM 0 H LEU A 13 15.929 4.138 3.324 1.00 0.00 H new ATOM 0 HA LEU A 13 13.578 3.712 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.083 5.512 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.730 5.668 3.312 1.00 0.00 H new ATOM 0 HG LEU A 13 15.600 5.860 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.341 8.308 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.242 7.559 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.760 8.100 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.579 7.075 6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.969 6.820 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.925 5.427 5.979 1.00 0.00 H new ATOM 176 N TRP A 14 13.079 3.219 1.366 1.00 0.00 N ATOM 177 CA TRP A 14 12.229 2.524 0.407 1.00 0.00 C ATOM 178 C TRP A 14 12.042 1.064 0.803 1.00 0.00 C ATOM 179 O TRP A 14 10.931 0.537 0.761 1.00 0.00 O ATOM 180 CB TRP A 14 12.830 2.611 -0.997 1.00 0.00 C ATOM 181 CG TRP A 14 12.075 1.815 -2.017 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.364 0.552 -2.450 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.907 2.229 -2.735 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.446 0.156 -3.392 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.541 1.167 -3.584 1.00 0.00 C ATOM 186 CE3 TRP A 14 10.133 3.393 -2.740 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.437 1.236 -4.430 1.00 0.00 C ATOM 188 CZ3 TRP A 14 9.038 3.460 -3.580 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.698 2.388 -4.415 1.00 0.00 C ATOM 0 H TRP A 14 13.805 3.799 0.944 1.00 0.00 H new ATOM 0 HA TRP A 14 11.253 3.009 0.407 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.857 3.655 -1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.862 2.261 -0.965 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.193 -0.047 -2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.439 -0.745 -3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.386 4.225 -2.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.173 0.410 -5.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.433 4.355 -3.593 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.836 2.472 -5.060 1.00 0.00 H new ATOM 200 N ASN A 15 13.135 0.415 1.189 1.00 0.00 N ATOM 201 CA ASN A 15 13.091 -0.986 1.594 1.00 0.00 C ATOM 202 C ASN A 15 12.259 -1.160 2.860 1.00 0.00 C ATOM 203 O ASN A 15 11.639 -2.203 3.068 1.00 0.00 O ATOM 204 CB ASN A 15 14.507 -1.517 1.824 1.00 0.00 C ATOM 205 CG ASN A 15 15.116 -2.104 0.565 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.541 -2.008 -0.519 1.00 0.00 O ATOM 207 ND2 ASN A 15 16.286 -2.716 0.704 1.00 0.00 N ATOM 0 H ASN A 15 14.063 0.837 1.230 1.00 0.00 H new ATOM 0 HA ASN A 15 12.623 -1.556 0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.141 -0.708 2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.484 -2.279 2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.744 -3.130 -0.108 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.726 -2.772 1.622 1.00 0.00 H new ATOM 214 N GLU A 16 12.249 -0.131 3.702 1.00 0.00 N ATOM 215 CA GLU A 16 11.493 -0.172 4.948 1.00 0.00 C ATOM 216 C GLU A 16 10.001 0.010 4.685 1.00 0.00 C ATOM 217 O GLU A 16 9.196 -0.875 4.975 1.00 0.00 O ATOM 218 CB GLU A 16 11.989 0.913 5.907 1.00 0.00 C ATOM 219 CG GLU A 16 10.987 1.271 6.992 1.00 0.00 C ATOM 220 CD GLU A 16 11.515 2.319 7.951 1.00 0.00 C ATOM 221 OE1 GLU A 16 12.699 2.228 8.338 1.00 0.00 O ATOM 222 OE2 GLU A 16 10.744 3.232 8.315 1.00 0.00 O ATOM 0 H GLU A 16 12.755 0.740 3.544 1.00 0.00 H new ATOM 0 HA GLU A 16 11.647 -1.149 5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.914 0.577 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.229 1.810 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.071 1.637 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.725 0.372 7.550 1.00 0.00 H new ATOM 229 N VAL A 17 9.639 1.164 4.134 1.00 0.00 N ATOM 230 CA VAL A 17 8.245 1.463 3.831 1.00 0.00 C ATOM 231 C VAL A 17 7.610 0.348 3.007 1.00 0.00 C ATOM 232 O VAL A 17 6.471 -0.050 3.252 1.00 0.00 O ATOM 233 CB VAL A 17 8.109 2.792 3.065 1.00 0.00 C ATOM 234 CG1 VAL A 17 8.966 2.775 1.809 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.652 3.064 2.723 1.00 0.00 C ATOM 0 H VAL A 17 10.293 1.908 3.888 1.00 0.00 H new ATOM 0 HA VAL A 17 7.725 1.547 4.786 1.00 0.00 H new ATOM 0 HB VAL A 17 8.464 3.598 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.857 3.722 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.011 2.631 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.645 1.959 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.575 4.007 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.267 2.256 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.068 3.124 3.641 1.00 0.00 H new ATOM 245 N THR A 18 8.356 -0.155 2.028 1.00 0.00 N ATOM 246 CA THR A 18 7.867 -1.224 1.167 1.00 0.00 C ATOM 247 C THR A 18 7.605 -2.497 1.965 1.00 0.00 C ATOM 248 O THR A 18 6.563 -3.135 1.812 1.00 0.00 O ATOM 249 CB THR A 18 8.866 -1.537 0.037 1.00 0.00 C ATOM 250 OG1 THR A 18 10.164 -1.788 0.587 1.00 0.00 O ATOM 251 CG2 THR A 18 8.943 -0.384 -0.952 1.00 0.00 C ATOM 0 H THR A 18 9.301 0.161 1.812 1.00 0.00 H new ATOM 0 HA THR A 18 6.932 -0.874 0.729 1.00 0.00 H new ATOM 0 HB THR A 18 8.517 -2.425 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.624 -0.937 0.741 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.655 -0.628 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.960 -0.214 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.270 0.518 -0.435 1.00 0.00 H new ATOM 259 N THR A 19 8.557 -2.861 2.819 1.00 0.00 N ATOM 260 CA THR A 19 8.430 -4.058 3.641 1.00 0.00 C ATOM 261 C THR A 19 7.256 -3.939 4.606 1.00 0.00 C ATOM 262 O THR A 19 6.459 -4.867 4.747 1.00 0.00 O ATOM 263 CB THR A 19 9.716 -4.326 4.445 1.00 0.00 C ATOM 264 OG1 THR A 19 10.822 -4.506 3.554 1.00 0.00 O ATOM 265 CG2 THR A 19 9.558 -5.560 5.321 1.00 0.00 C ATOM 0 H THR A 19 9.425 -2.343 2.959 1.00 0.00 H new ATOM 0 HA THR A 19 8.255 -4.892 2.961 1.00 0.00 H new ATOM 0 HB THR A 19 9.904 -3.465 5.087 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.942 -3.697 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.478 -5.730 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.733 -5.409 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.349 -6.427 4.694 1.00 0.00 H new ATOM 273 N SER A 20 7.154 -2.791 5.269 1.00 0.00 N ATOM 274 CA SER A 20 6.078 -2.553 6.224 1.00 0.00 C ATOM 275 C SER A 20 4.719 -2.590 5.531 1.00 0.00 C ATOM 276 O SER A 20 3.775 -3.208 6.025 1.00 0.00 O ATOM 277 CB SER A 20 6.273 -1.203 6.916 1.00 0.00 C ATOM 278 OG SER A 20 7.234 -1.296 7.954 1.00 0.00 O ATOM 0 H SER A 20 7.803 -2.012 5.162 1.00 0.00 H new ATOM 0 HA SER A 20 6.107 -3.345 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.592 -0.459 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.323 -0.860 7.325 1.00 0.00 H new ATOM 0 HG SER A 20 7.342 -0.420 8.379 1.00 0.00 H new ATOM 284 N PHE A 21 4.628 -1.926 4.384 1.00 0.00 N ATOM 285 CA PHE A 21 3.385 -1.882 3.623 1.00 0.00 C ATOM 286 C PHE A 21 2.964 -3.282 3.188 1.00 0.00 C ATOM 287 O PHE A 21 1.883 -3.755 3.540 1.00 0.00 O ATOM 288 CB PHE A 21 3.544 -0.980 2.397 1.00 0.00 C ATOM 289 CG PHE A 21 2.470 -1.175 1.366 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.564 -2.195 0.433 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.366 -0.338 1.329 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.577 -2.378 -0.518 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.376 -0.516 0.382 1.00 0.00 C ATOM 294 CZ PHE A 21 0.482 -1.536 -0.543 1.00 0.00 C ATOM 0 H PHE A 21 5.400 -1.411 3.961 1.00 0.00 H new ATOM 0 HA PHE A 21 2.608 -1.472 4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.542 0.061 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.515 -1.170 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.419 -2.855 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.279 0.463 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.662 -3.177 -1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.480 0.142 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.290 -1.675 -1.285 1.00 0.00 H new ATOM 304 N ARG A 22 3.825 -3.940 2.418 1.00 0.00 N ATOM 305 CA ARG A 22 3.542 -5.285 1.933 1.00 0.00 C ATOM 306 C ARG A 22 2.765 -6.087 2.973 1.00 0.00 C ATOM 307 O ARG A 22 1.645 -6.529 2.720 1.00 0.00 O ATOM 308 CB ARG A 22 4.845 -6.009 1.584 1.00 0.00 C ATOM 309 CG ARG A 22 4.684 -7.067 0.506 1.00 0.00 C ATOM 310 CD ARG A 22 4.187 -8.382 1.085 1.00 0.00 C ATOM 311 NE ARG A 22 3.501 -9.197 0.085 1.00 0.00 N ATOM 312 CZ ARG A 22 3.337 -10.510 0.195 1.00 0.00 C ATOM 313 NH1 ARG A 22 3.806 -11.154 1.254 1.00 0.00 N ATOM 314 NH2 ARG A 22 2.702 -11.182 -0.757 1.00 0.00 N ATOM 0 H ARG A 22 4.724 -3.563 2.117 1.00 0.00 H new ATOM 0 HA ARG A 22 2.930 -5.199 1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.581 -5.276 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.243 -6.477 2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.983 -6.713 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.639 -7.226 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.030 -8.941 1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.509 -8.180 1.914 1.00 0.00 H new ATOM 0 HE ARG A 22 3.128 -8.732 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.295 -10.641 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.678 -12.163 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.340 -10.690 -1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.576 -12.191 -0.672 1.00 0.00 H new ATOM 328 N ALA A 23 3.368 -6.270 4.142 1.00 0.00 N ATOM 329 CA ALA A 23 2.733 -7.017 5.221 1.00 0.00 C ATOM 330 C ALA A 23 1.538 -6.256 5.786 1.00 0.00 C ATOM 331 O ALA A 23 0.547 -6.856 6.199 1.00 0.00 O ATOM 332 CB ALA A 23 3.740 -7.315 6.322 1.00 0.00 C ATOM 0 H ALA A 23 4.296 -5.911 4.367 1.00 0.00 H new ATOM 0 HA ALA A 23 2.370 -7.960 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.251 -7.873 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.560 -7.907 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.131 -6.379 6.720 1.00 0.00 H new ATOM 338 N GLY A 24 1.640 -4.930 5.801 1.00 0.00 N ATOM 339 CA GLY A 24 0.561 -4.109 6.318 1.00 0.00 C ATOM 340 C GLY A 24 -0.805 -4.699 6.031 1.00 0.00 C ATOM 341 O GLY A 24 -1.442 -5.266 6.918 1.00 0.00 O ATOM 0 H GLY A 24 2.451 -4.410 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.683 -3.990 7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.623 -3.114 5.878 1.00 0.00 H new ATOM 345 N MET A 25 -1.258 -4.564 4.789 1.00 0.00 N ATOM 346 CA MET A 25 -2.558 -5.089 4.388 1.00 0.00 C ATOM 347 C MET A 25 -2.692 -6.559 4.770 1.00 0.00 C ATOM 348 O MET A 25 -2.081 -7.441 4.166 1.00 0.00 O ATOM 349 CB MET A 25 -2.757 -4.921 2.880 1.00 0.00 C ATOM 350 CG MET A 25 -4.097 -5.437 2.383 1.00 0.00 C ATOM 351 SD MET A 25 -5.478 -4.867 3.392 1.00 0.00 S ATOM 352 CE MET A 25 -5.753 -3.237 2.702 1.00 0.00 C ATOM 0 H MET A 25 -0.744 -4.095 4.043 1.00 0.00 H new ATOM 0 HA MET A 25 -3.328 -4.524 4.914 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.666 -3.865 2.625 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.958 -5.445 2.356 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.247 -5.114 1.353 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.082 -6.527 2.376 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.799 -2.504 3.507 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.935 -2.985 2.027 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.693 -3.229 2.151 1.00 0.00 H new ATOM 362 N PRO A 26 -3.511 -6.833 5.796 1.00 0.00 N ATOM 363 CA PRO A 26 -3.745 -8.196 6.281 1.00 0.00 C ATOM 364 C PRO A 26 -4.546 -9.034 5.291 1.00 0.00 C ATOM 365 O PRO A 26 -4.940 -10.162 5.592 1.00 0.00 O ATOM 366 CB PRO A 26 -4.543 -7.983 7.570 1.00 0.00 C ATOM 367 CG PRO A 26 -5.215 -6.666 7.385 1.00 0.00 C ATOM 368 CD PRO A 26 -4.272 -5.832 6.562 1.00 0.00 C ATOM 0 HA PRO A 26 -2.813 -8.742 6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.270 -8.781 7.722 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.891 -7.976 8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.174 -6.785 6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.417 -6.193 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.809 -5.147 5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.619 -5.225 7.190 1.00 0.00 H new ATOM 376 N LEU A 27 -4.785 -8.477 4.109 1.00 0.00 N ATOM 377 CA LEU A 27 -5.540 -9.174 3.073 1.00 0.00 C ATOM 378 C LEU A 27 -7.001 -9.338 3.481 1.00 0.00 C ATOM 379 O LEU A 27 -7.567 -10.426 3.376 1.00 0.00 O ATOM 380 CB LEU A 27 -4.919 -10.544 2.797 1.00 0.00 C ATOM 381 CG LEU A 27 -3.404 -10.566 2.593 1.00 0.00 C ATOM 382 CD1 LEU A 27 -2.912 -11.992 2.399 1.00 0.00 C ATOM 383 CD2 LEU A 27 -3.013 -9.699 1.405 1.00 0.00 C ATOM 0 H LEU A 27 -4.467 -7.545 3.844 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.501 -8.574 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.163 -11.205 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.391 -10.962 1.908 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.931 -10.158 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.832 -11.988 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.159 -12.585 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.393 -12.427 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.931 -9.727 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.497 -10.077 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.331 -8.672 1.584 1.00 0.00 H new ATOM 395 N ARG A 28 -7.606 -8.249 3.945 1.00 0.00 N ATOM 396 CA ARG A 28 -9.001 -8.272 4.367 1.00 0.00 C ATOM 397 C ARG A 28 -9.889 -8.866 3.278 1.00 0.00 C ATOM 398 O ARG A 28 -9.520 -8.889 2.104 1.00 0.00 O ATOM 399 CB ARG A 28 -9.475 -6.859 4.712 1.00 0.00 C ATOM 400 CG ARG A 28 -8.634 -6.178 5.780 1.00 0.00 C ATOM 401 CD ARG A 28 -8.959 -6.708 7.167 1.00 0.00 C ATOM 402 NE ARG A 28 -8.663 -5.730 8.210 1.00 0.00 N ATOM 403 CZ ARG A 28 -9.252 -5.725 9.401 1.00 0.00 C ATOM 404 NH1 ARG A 28 -10.163 -6.641 9.698 1.00 0.00 N ATOM 405 NH2 ARG A 28 -8.929 -4.802 10.298 1.00 0.00 N ATOM 0 H ARG A 28 -7.152 -7.340 4.038 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.075 -8.900 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.462 -6.250 3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.510 -6.905 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.577 -6.336 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.808 -5.102 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.014 -6.979 7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.387 -7.618 7.350 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.966 -5.012 8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.414 -7.352 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.613 -6.634 10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.228 -4.096 10.073 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.382 -4.799 11.212 1.00 0.00 H new ATOM 419 N LYS A 29 -11.062 -9.348 3.676 1.00 0.00 N ATOM 420 CA LYS A 29 -12.004 -9.942 2.736 1.00 0.00 C ATOM 421 C LYS A 29 -13.038 -8.917 2.279 1.00 0.00 C ATOM 422 O LYS A 29 -13.191 -7.860 2.892 1.00 0.00 O ATOM 423 CB LYS A 29 -12.708 -11.141 3.376 1.00 0.00 C ATOM 424 CG LYS A 29 -13.494 -11.984 2.387 1.00 0.00 C ATOM 425 CD LYS A 29 -14.000 -13.266 3.026 1.00 0.00 C ATOM 426 CE LYS A 29 -15.095 -13.911 2.190 1.00 0.00 C ATOM 427 NZ LYS A 29 -16.431 -13.317 2.474 1.00 0.00 N ATOM 0 H LYS A 29 -11.383 -9.339 4.644 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.443 -10.280 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.964 -11.770 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.384 -10.783 4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.338 -11.408 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.863 -12.227 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.173 -13.965 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.382 -13.050 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.862 -13.792 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.123 -14.982 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.150 -13.783 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.665 -13.453 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.412 -12.300 2.257 1.00 0.00 H new ATOM 441 N HIS A 30 -13.745 -9.236 1.200 1.00 0.00 N ATOM 442 CA HIS A 30 -14.766 -8.343 0.663 1.00 0.00 C ATOM 443 C HIS A 30 -16.066 -9.098 0.403 1.00 0.00 C ATOM 444 O HIS A 30 -16.118 -10.322 0.521 1.00 0.00 O ATOM 445 CB HIS A 30 -14.274 -7.691 -0.629 1.00 0.00 C ATOM 446 CG HIS A 30 -13.070 -6.820 -0.440 1.00 0.00 C ATOM 447 ND1 HIS A 30 -13.136 -5.547 0.084 1.00 0.00 N ATOM 448 CD2 HIS A 30 -11.762 -7.048 -0.707 1.00 0.00 C ATOM 449 CE1 HIS A 30 -11.923 -5.028 0.130 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.070 -5.918 -0.344 1.00 0.00 N ATOM 0 H HIS A 30 -13.630 -10.106 0.680 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.960 -7.566 1.402 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.038 -8.471 -1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -15.081 -7.094 -1.055 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -13.989 -5.079 0.389 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.341 -7.950 -1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.671 -4.043 0.494 1.00 0.00 H new ATOM 458 N ARG A 31 -17.113 -8.359 0.050 1.00 0.00 N ATOM 459 CA ARG A 31 -18.413 -8.959 -0.224 1.00 0.00 C ATOM 460 C ARG A 31 -18.499 -9.431 -1.673 1.00 0.00 C ATOM 461 O ARG A 31 -18.512 -8.621 -2.599 1.00 0.00 O ATOM 462 CB ARG A 31 -19.532 -7.956 0.064 1.00 0.00 C ATOM 463 CG ARG A 31 -19.301 -6.589 -0.560 1.00 0.00 C ATOM 464 CD ARG A 31 -20.614 -5.875 -0.838 1.00 0.00 C ATOM 465 NE ARG A 31 -20.412 -4.619 -1.556 1.00 0.00 N ATOM 466 CZ ARG A 31 -20.204 -3.453 -0.954 1.00 0.00 C ATOM 467 NH1 ARG A 31 -20.170 -3.384 0.370 1.00 0.00 N ATOM 468 NH2 ARG A 31 -20.029 -2.354 -1.675 1.00 0.00 N ATOM 0 H ARG A 31 -17.086 -7.345 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 31 -18.532 -9.823 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -20.474 -8.360 -0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.636 -7.841 1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -18.690 -5.982 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.743 -6.702 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -21.264 -6.526 -1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -21.125 -5.676 0.104 1.00 0.00 H new ATOM 0 HE ARG A 31 -20.432 -4.638 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -20.304 -4.227 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.010 -2.488 0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.054 -2.403 -2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.869 -1.460 -1.211 1.00 0.00 H new ATOM 482 N GLN A 32 -18.558 -10.745 -1.859 1.00 0.00 N ATOM 483 CA GLN A 32 -18.641 -11.324 -3.194 1.00 0.00 C ATOM 484 C GLN A 32 -19.267 -12.714 -3.147 1.00 0.00 C ATOM 485 O GLN A 32 -18.803 -13.591 -2.418 1.00 0.00 O ATOM 486 CB GLN A 32 -17.251 -11.400 -3.828 1.00 0.00 C ATOM 487 CG GLN A 32 -16.373 -12.492 -3.240 1.00 0.00 C ATOM 488 CD GLN A 32 -16.155 -12.327 -1.749 1.00 0.00 C ATOM 489 OE1 GLN A 32 -17.046 -12.603 -0.946 1.00 0.00 O ATOM 490 NE2 GLN A 32 -14.966 -11.874 -1.371 1.00 0.00 N ATOM 0 H GLN A 32 -18.550 -11.429 -1.102 1.00 0.00 H new ATOM 0 HA GLN A 32 -19.276 -10.680 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.358 -11.569 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.752 -10.439 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.830 -13.463 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.408 -12.489 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.256 -11.658 -2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.762 -11.742 -0.380 1.00 0.00 H new ATOM 499 N HIS A 33 -20.325 -12.908 -3.929 1.00 0.00 N ATOM 500 CA HIS A 33 -21.016 -14.192 -3.976 1.00 0.00 C ATOM 501 C HIS A 33 -20.022 -15.347 -3.889 1.00 0.00 C ATOM 502 O HIS A 33 -20.113 -16.192 -2.998 1.00 0.00 O ATOM 503 CB HIS A 33 -21.837 -14.306 -5.260 1.00 0.00 C ATOM 504 CG HIS A 33 -22.383 -15.680 -5.502 1.00 0.00 C ATOM 505 ND1 HIS A 33 -23.081 -16.391 -4.548 1.00 0.00 N ATOM 506 CD2 HIS A 33 -22.332 -16.473 -6.598 1.00 0.00 C ATOM 507 CE1 HIS A 33 -23.434 -17.563 -5.047 1.00 0.00 C ATOM 508 NE2 HIS A 33 -22.992 -17.637 -6.289 1.00 0.00 N ATOM 0 H HIS A 33 -20.722 -12.193 -4.538 1.00 0.00 H new ATOM 0 HA HIS A 33 -21.687 -14.248 -3.119 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -22.664 -13.598 -5.217 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -21.214 -14.017 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.860 -16.235 -7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -23.989 -18.330 -4.527 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -23.120 -18.430 -6.917 1.00 0.00 H new ATOM 516 N PHE A 34 -19.075 -15.377 -4.821 1.00 0.00 N ATOM 517 CA PHE A 34 -18.065 -16.429 -4.851 1.00 0.00 C ATOM 518 C PHE A 34 -16.663 -15.841 -4.723 1.00 0.00 C ATOM 519 O PHE A 34 -16.402 -14.723 -5.170 1.00 0.00 O ATOM 520 CB PHE A 34 -18.176 -17.235 -6.146 1.00 0.00 C ATOM 521 CG PHE A 34 -17.286 -18.444 -6.178 1.00 0.00 C ATOM 522 CD1 PHE A 34 -17.490 -19.494 -5.298 1.00 0.00 C ATOM 523 CD2 PHE A 34 -16.246 -18.531 -7.089 1.00 0.00 C ATOM 524 CE1 PHE A 34 -16.672 -20.608 -5.324 1.00 0.00 C ATOM 525 CE2 PHE A 34 -15.424 -19.643 -7.121 1.00 0.00 C ATOM 526 CZ PHE A 34 -15.639 -20.683 -6.238 1.00 0.00 C ATOM 0 H PHE A 34 -18.986 -14.685 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 34 -18.241 -17.091 -4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -19.210 -17.552 -6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -17.929 -16.589 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -18.298 -19.442 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -16.075 -17.721 -7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.840 -21.419 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.616 -19.698 -7.835 1.00 0.00 H new ATOM 0 HZ PHE A 34 -15.000 -21.554 -6.262 1.00 0.00 H new ATOM 536 N LYS A 35 -15.763 -16.601 -4.109 1.00 0.00 N ATOM 537 CA LYS A 35 -14.386 -16.158 -3.922 1.00 0.00 C ATOM 538 C LYS A 35 -13.715 -15.886 -5.264 1.00 0.00 C ATOM 539 O LYS A 35 -13.304 -16.813 -5.963 1.00 0.00 O ATOM 540 CB LYS A 35 -13.591 -17.209 -3.145 1.00 0.00 C ATOM 541 CG LYS A 35 -14.038 -17.367 -1.702 1.00 0.00 C ATOM 542 CD LYS A 35 -15.122 -18.422 -1.566 1.00 0.00 C ATOM 543 CE LYS A 35 -15.331 -18.824 -0.113 1.00 0.00 C ATOM 544 NZ LYS A 35 -14.438 -19.947 0.285 1.00 0.00 N ATOM 0 H LYS A 35 -15.962 -17.528 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.404 -15.230 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.683 -18.170 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.535 -16.939 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.183 -17.641 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.409 -16.413 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.057 -18.040 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.852 -19.300 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.144 -17.965 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.370 -19.116 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.610 -20.191 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.633 -20.775 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.445 -19.660 0.166 1.00 0.00 H new ATOM 558 N LYS A 36 -13.604 -14.611 -5.618 1.00 0.00 N ATOM 559 CA LYS A 36 -12.979 -14.216 -6.875 1.00 0.00 C ATOM 560 C LYS A 36 -11.723 -13.389 -6.623 1.00 0.00 C ATOM 561 O LYS A 36 -10.730 -13.515 -7.340 1.00 0.00 O ATOM 562 CB LYS A 36 -13.966 -13.418 -7.730 1.00 0.00 C ATOM 563 CG LYS A 36 -13.489 -13.187 -9.154 1.00 0.00 C ATOM 564 CD LYS A 36 -12.508 -12.029 -9.232 1.00 0.00 C ATOM 565 CE LYS A 36 -12.578 -11.330 -10.581 1.00 0.00 C ATOM 566 NZ LYS A 36 -11.823 -10.047 -10.581 1.00 0.00 N ATOM 0 H LYS A 36 -13.939 -13.832 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.694 -15.122 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.920 -13.945 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -14.148 -12.454 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.015 -14.093 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.345 -12.984 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.724 -11.314 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.496 -12.396 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.176 -11.988 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.620 -11.138 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.356 -9.330 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.690 -9.723 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.895 -10.190 -11.028 1.00 0.00 H new ATOM 580 N TYR A 37 -11.773 -12.543 -5.600 1.00 0.00 N ATOM 581 CA TYR A 37 -10.640 -11.694 -5.253 1.00 0.00 C ATOM 582 C TYR A 37 -9.537 -12.506 -4.579 1.00 0.00 C ATOM 583 O TYR A 37 -8.418 -12.591 -5.082 1.00 0.00 O ATOM 584 CB TYR A 37 -11.088 -10.559 -4.332 1.00 0.00 C ATOM 585 CG TYR A 37 -12.509 -10.105 -4.579 1.00 0.00 C ATOM 586 CD1 TYR A 37 -13.051 -10.116 -5.858 1.00 0.00 C ATOM 587 CD2 TYR A 37 -13.310 -9.663 -3.533 1.00 0.00 C ATOM 588 CE1 TYR A 37 -14.348 -9.702 -6.089 1.00 0.00 C ATOM 589 CE2 TYR A 37 -14.609 -9.248 -3.754 1.00 0.00 C ATOM 590 CZ TYR A 37 -15.124 -9.269 -5.033 1.00 0.00 C ATOM 591 OH TYR A 37 -16.417 -8.855 -5.257 1.00 0.00 O ATOM 0 H TYR A 37 -12.587 -12.427 -4.996 1.00 0.00 H new ATOM 0 HA TYR A 37 -10.242 -11.269 -6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -10.994 -10.884 -3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -10.416 -9.710 -4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.447 -10.455 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.910 -9.644 -2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.753 -9.717 -7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.218 -8.909 -2.929 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.787 -9.339 -6.025 1.00 0.00 H new ATOM 601 N GLY A 38 -9.865 -13.101 -3.436 1.00 0.00 N ATOM 602 CA GLY A 38 -8.893 -13.898 -2.711 1.00 0.00 C ATOM 603 C GLY A 38 -8.145 -13.093 -1.667 1.00 0.00 C ATOM 604 O GLY A 38 -8.623 -12.922 -0.546 1.00 0.00 O ATOM 0 H GLY A 38 -10.785 -13.045 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.401 -14.732 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.180 -14.325 -3.416 1.00 0.00 H new ATOM 608 N ASN A 39 -6.968 -12.598 -2.035 1.00 0.00 N ATOM 609 CA ASN A 39 -6.151 -11.808 -1.121 1.00 0.00 C ATOM 610 C ASN A 39 -5.996 -10.378 -1.628 1.00 0.00 C ATOM 611 O ASN A 39 -5.099 -9.650 -1.199 1.00 0.00 O ATOM 612 CB ASN A 39 -4.774 -12.453 -0.947 1.00 0.00 C ATOM 613 CG ASN A 39 -4.856 -13.959 -0.794 1.00 0.00 C ATOM 614 OD1 ASN A 39 -5.056 -14.684 -1.769 1.00 0.00 O ATOM 615 ND2 ASN A 39 -4.701 -14.438 0.435 1.00 0.00 N ATOM 0 H ASN A 39 -6.558 -12.730 -2.960 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.655 -11.779 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.151 -12.212 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.285 -12.028 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.746 -15.444 0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.537 -13.800 1.214 1.00 0.00 H new ATOM 622 N CYS A 40 -6.874 -9.982 -2.542 1.00 0.00 N ATOM 623 CA CYS A 40 -6.834 -8.638 -3.109 1.00 0.00 C ATOM 624 C CYS A 40 -7.476 -7.630 -2.162 1.00 0.00 C ATOM 625 O CYS A 40 -8.136 -8.005 -1.192 1.00 0.00 O ATOM 626 CB CYS A 40 -7.547 -8.611 -4.462 1.00 0.00 C ATOM 627 SG CYS A 40 -6.827 -9.717 -5.698 1.00 0.00 S ATOM 0 H CYS A 40 -7.622 -10.572 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.789 -8.361 -3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.593 -8.880 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.531 -7.592 -4.849 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.370 -10.894 -5.596 1.00 0.00 H new ATOM 633 N PHE A 41 -7.278 -6.347 -2.448 1.00 0.00 N ATOM 634 CA PHE A 41 -7.835 -5.284 -1.620 1.00 0.00 C ATOM 635 C PHE A 41 -8.054 -4.015 -2.439 1.00 0.00 C ATOM 636 O PHE A 41 -7.433 -3.822 -3.485 1.00 0.00 O ATOM 637 CB PHE A 41 -6.908 -4.989 -0.440 1.00 0.00 C ATOM 638 CG PHE A 41 -5.455 -4.939 -0.816 1.00 0.00 C ATOM 639 CD1 PHE A 41 -4.870 -3.749 -1.216 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.675 -6.083 -0.771 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.533 -3.699 -1.563 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.337 -6.040 -1.117 1.00 0.00 C ATOM 643 CZ PHE A 41 -2.766 -4.847 -1.514 1.00 0.00 C ATOM 0 H PHE A 41 -6.736 -6.019 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.799 -5.621 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.193 -4.036 0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.051 -5.753 0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.466 -2.849 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.117 -7.019 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.089 -2.764 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.739 -6.939 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.721 -4.811 -1.786 1.00 0.00 H new ATOM 653 N THR A 42 -8.943 -3.152 -1.957 1.00 0.00 N ATOM 654 CA THR A 42 -9.246 -1.903 -2.643 1.00 0.00 C ATOM 655 C THR A 42 -8.139 -0.877 -2.432 1.00 0.00 C ATOM 656 O THR A 42 -7.519 -0.828 -1.370 1.00 0.00 O ATOM 657 CB THR A 42 -10.582 -1.307 -2.161 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.621 -1.286 -0.730 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.757 -2.113 -2.694 1.00 0.00 C ATOM 0 H THR A 42 -9.466 -3.296 -1.093 1.00 0.00 H new ATOM 0 HA THR A 42 -9.323 -2.137 -3.705 1.00 0.00 H new ATOM 0 HB THR A 42 -10.659 -0.288 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.941 -2.151 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.690 -1.674 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.741 -2.103 -3.784 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.683 -3.141 -2.340 1.00 0.00 H new ATOM 667 N ALA A 43 -7.896 -0.057 -3.449 1.00 0.00 N ATOM 668 CA ALA A 43 -6.865 0.971 -3.373 1.00 0.00 C ATOM 669 C ALA A 43 -7.147 1.948 -2.236 1.00 0.00 C ATOM 670 O ALA A 43 -6.326 2.123 -1.337 1.00 0.00 O ATOM 671 CB ALA A 43 -6.762 1.714 -4.697 1.00 0.00 C ATOM 0 H ALA A 43 -8.399 -0.085 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.913 0.482 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.988 2.479 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.506 1.011 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.718 2.185 -4.925 1.00 0.00 H new ATOM 677 N GLY A 44 -8.314 2.583 -2.283 1.00 0.00 N ATOM 678 CA GLY A 44 -8.683 3.535 -1.252 1.00 0.00 C ATOM 679 C GLY A 44 -8.151 3.146 0.113 1.00 0.00 C ATOM 680 O GLY A 44 -7.319 3.850 0.685 1.00 0.00 O ATOM 0 H GLY A 44 -9.011 2.455 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.303 4.521 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.769 3.614 -1.206 1.00 0.00 H new ATOM 684 N GLU A 45 -8.633 2.023 0.636 1.00 0.00 N ATOM 685 CA GLU A 45 -8.202 1.544 1.944 1.00 0.00 C ATOM 686 C GLU A 45 -6.686 1.643 2.087 1.00 0.00 C ATOM 687 O GLU A 45 -6.177 2.109 3.107 1.00 0.00 O ATOM 688 CB GLU A 45 -8.652 0.097 2.156 1.00 0.00 C ATOM 689 CG GLU A 45 -10.095 -0.031 2.615 1.00 0.00 C ATOM 690 CD GLU A 45 -10.525 -1.474 2.791 1.00 0.00 C ATOM 691 OE1 GLU A 45 -11.001 -2.076 1.806 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.386 -2.002 3.914 1.00 0.00 O ATOM 0 H GLU A 45 -9.321 1.428 0.174 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.663 2.175 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.526 -0.454 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.002 -0.372 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.220 0.499 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.748 0.453 1.888 1.00 0.00 H new ATOM 699 N ALA A 46 -5.970 1.201 1.059 1.00 0.00 N ATOM 700 CA ALA A 46 -4.513 1.240 1.068 1.00 0.00 C ATOM 701 C ALA A 46 -4.004 2.650 1.352 1.00 0.00 C ATOM 702 O ALA A 46 -3.006 2.832 2.048 1.00 0.00 O ATOM 703 CB ALA A 46 -3.963 0.735 -0.257 1.00 0.00 C ATOM 0 H ALA A 46 -6.376 0.811 0.208 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.161 0.587 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.874 0.770 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.290 -0.292 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.330 1.365 -1.067 1.00 0.00 H new ATOM 709 N VAL A 47 -4.697 3.645 0.806 1.00 0.00 N ATOM 710 CA VAL A 47 -4.315 5.038 1.001 1.00 0.00 C ATOM 711 C VAL A 47 -4.165 5.365 2.482 1.00 0.00 C ATOM 712 O VAL A 47 -3.166 5.949 2.902 1.00 0.00 O ATOM 713 CB VAL A 47 -5.348 5.996 0.377 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.955 7.443 0.630 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.492 5.726 -1.113 1.00 0.00 C ATOM 0 H VAL A 47 -5.525 3.512 0.226 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.355 5.175 0.503 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.314 5.820 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.696 8.105 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.908 7.625 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.979 7.638 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.225 6.411 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.530 5.874 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.824 4.699 -1.266 1.00 0.00 H new ATOM 725 N ASP A 48 -5.165 4.985 3.270 1.00 0.00 N ATOM 726 CA ASP A 48 -5.144 5.237 4.707 1.00 0.00 C ATOM 727 C ASP A 48 -4.026 4.446 5.381 1.00 0.00 C ATOM 728 O ASP A 48 -3.242 4.998 6.153 1.00 0.00 O ATOM 729 CB ASP A 48 -6.492 4.870 5.330 1.00 0.00 C ATOM 730 CG ASP A 48 -6.550 5.185 6.811 1.00 0.00 C ATOM 731 OD1 ASP A 48 -5.792 4.559 7.581 1.00 0.00 O ATOM 732 OD2 ASP A 48 -7.354 6.058 7.202 1.00 0.00 O ATOM 0 H ASP A 48 -6.000 4.502 2.939 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.958 6.300 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.286 5.411 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.681 3.807 5.180 1.00 0.00 H new ATOM 737 N TRP A 49 -3.961 3.154 5.083 1.00 0.00 N ATOM 738 CA TRP A 49 -2.940 2.288 5.662 1.00 0.00 C ATOM 739 C TRP A 49 -1.542 2.819 5.362 1.00 0.00 C ATOM 740 O TRP A 49 -0.793 3.173 6.274 1.00 0.00 O ATOM 741 CB TRP A 49 -3.084 0.864 5.122 1.00 0.00 C ATOM 742 CG TRP A 49 -1.799 0.093 5.129 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.346 -0.754 4.158 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.802 0.098 6.157 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.128 -1.277 4.521 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.228 -0.769 5.743 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.679 0.751 7.386 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.363 -0.998 6.516 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.448 0.522 8.152 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.457 -0.346 7.715 1.00 0.00 C ATOM 0 H TRP A 49 -4.602 2.683 4.445 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.080 2.275 6.743 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.823 0.330 5.719 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.468 0.907 4.103 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.868 -0.980 3.240 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.422 -1.936 3.970 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.451 1.423 7.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.142 -1.667 6.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.553 1.021 9.104 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.326 -0.504 8.337 1.00 0.00 H new ATOM 761 N LEU A 50 -1.196 2.873 4.081 1.00 0.00 N ATOM 762 CA LEU A 50 0.113 3.362 3.662 1.00 0.00 C ATOM 763 C LEU A 50 0.415 4.718 4.292 1.00 0.00 C ATOM 764 O LEU A 50 1.533 4.968 4.744 1.00 0.00 O ATOM 765 CB LEU A 50 0.174 3.471 2.137 1.00 0.00 C ATOM 766 CG LEU A 50 1.469 4.040 1.557 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.594 3.023 1.663 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.264 4.462 0.109 1.00 0.00 C ATOM 0 H LEU A 50 -1.803 2.584 3.314 1.00 0.00 H new ATOM 0 HA LEU A 50 0.865 2.649 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.016 2.479 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.655 4.095 1.804 1.00 0.00 H new ATOM 0 HG LEU A 50 1.748 4.921 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.507 3.446 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.758 2.769 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.325 2.123 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.196 4.865 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.961 3.598 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.488 5.226 0.059 1.00 0.00 H new ATOM 780 N TYR A 51 -0.588 5.588 4.321 1.00 0.00 N ATOM 781 CA TYR A 51 -0.430 6.918 4.897 1.00 0.00 C ATOM 782 C TYR A 51 -0.089 6.833 6.381 1.00 0.00 C ATOM 783 O TYR A 51 0.846 7.480 6.853 1.00 0.00 O ATOM 784 CB TYR A 51 -1.708 7.736 4.701 1.00 0.00 C ATOM 785 CG TYR A 51 -1.876 8.847 5.714 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.080 9.985 5.664 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.830 8.758 6.720 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.230 11.001 6.588 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.988 9.770 7.646 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.185 10.890 7.576 1.00 0.00 C ATOM 791 OH TYR A 51 -2.338 11.900 8.498 1.00 0.00 O ATOM 0 H TYR A 51 -1.519 5.396 3.952 1.00 0.00 H new ATOM 0 HA TYR A 51 0.393 7.413 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.704 8.166 3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.569 7.070 4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.332 10.077 4.890 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.459 7.882 6.779 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.602 11.878 6.537 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.736 9.685 8.421 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.054 11.665 9.125 1.00 0.00 H new ATOM 801 N ASP A 52 -0.854 6.028 7.111 1.00 0.00 N ATOM 802 CA ASP A 52 -0.633 5.855 8.543 1.00 0.00 C ATOM 803 C ASP A 52 0.799 5.411 8.822 1.00 0.00 C ATOM 804 O ASP A 52 1.416 5.845 9.796 1.00 0.00 O ATOM 805 CB ASP A 52 -1.618 4.833 9.112 1.00 0.00 C ATOM 806 CG ASP A 52 -1.642 4.834 10.628 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.584 4.574 11.238 1.00 0.00 O ATOM 808 OD2 ASP A 52 -2.719 5.094 11.204 1.00 0.00 O ATOM 0 H ASP A 52 -1.632 5.485 6.735 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.797 6.816 9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.618 5.048 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.351 3.838 8.756 1.00 0.00 H new ATOM 813 N LEU A 53 1.322 4.544 7.962 1.00 0.00 N ATOM 814 CA LEU A 53 2.683 4.040 8.117 1.00 0.00 C ATOM 815 C LEU A 53 3.704 5.144 7.868 1.00 0.00 C ATOM 816 O LEU A 53 4.676 5.285 8.612 1.00 0.00 O ATOM 817 CB LEU A 53 2.928 2.876 7.155 1.00 0.00 C ATOM 818 CG LEU A 53 4.382 2.426 7.002 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.740 1.407 8.072 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.619 1.851 5.614 1.00 0.00 C ATOM 0 H LEU A 53 0.825 4.175 7.151 1.00 0.00 H new ATOM 0 HA LEU A 53 2.800 3.688 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.338 2.023 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.550 3.158 6.172 1.00 0.00 H new ATOM 0 HG LEU A 53 5.027 3.296 7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.778 1.098 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.610 1.854 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.089 0.538 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.659 1.536 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.965 0.993 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.403 2.611 4.863 1.00 0.00 H new ATOM 832 N LEU A 54 3.478 5.927 6.819 1.00 0.00 N ATOM 833 CA LEU A 54 4.378 7.022 6.473 1.00 0.00 C ATOM 834 C LEU A 54 4.456 8.041 7.605 1.00 0.00 C ATOM 835 O LEU A 54 5.541 8.362 8.090 1.00 0.00 O ATOM 836 CB LEU A 54 3.910 7.706 5.187 1.00 0.00 C ATOM 837 CG LEU A 54 3.902 6.836 3.929 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.074 7.490 2.834 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.322 6.582 3.447 1.00 0.00 C ATOM 0 H LEU A 54 2.679 5.824 6.193 1.00 0.00 H new ATOM 0 HA LEU A 54 5.373 6.606 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.901 8.087 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.551 8.569 5.004 1.00 0.00 H new ATOM 0 HG LEU A 54 3.447 5.877 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.080 6.857 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.049 7.619 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.499 8.463 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.297 5.961 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.803 7.532 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.885 6.070 4.227 1.00 0.00 H new ATOM 851 N ARG A 55 3.299 8.544 8.022 1.00 0.00 N ATOM 852 CA ARG A 55 3.236 9.526 9.098 1.00 0.00 C ATOM 853 C ARG A 55 3.873 8.978 10.372 1.00 0.00 C ATOM 854 O ARG A 55 4.591 9.688 11.074 1.00 0.00 O ATOM 855 CB ARG A 55 1.785 9.923 9.371 1.00 0.00 C ATOM 856 CG ARG A 55 0.941 8.795 9.942 1.00 0.00 C ATOM 857 CD ARG A 55 -0.517 9.204 10.081 1.00 0.00 C ATOM 858 NE ARG A 55 -1.212 8.417 11.095 1.00 0.00 N ATOM 859 CZ ARG A 55 -2.263 8.859 11.776 1.00 0.00 C ATOM 860 NH1 ARG A 55 -2.738 10.077 11.551 1.00 0.00 N ATOM 861 NH2 ARG A 55 -2.842 8.084 12.684 1.00 0.00 N ATOM 0 H ARG A 55 2.392 8.288 7.631 1.00 0.00 H new ATOM 0 HA ARG A 55 3.794 10.408 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.772 10.763 10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.332 10.270 8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.014 7.921 9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.333 8.504 10.917 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.574 10.261 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.020 9.084 9.121 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.872 7.476 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.296 10.676 10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.545 10.414 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.480 7.147 12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.649 8.425 13.206 1.00 0.00 H new ATOM 875 N ASN A 56 3.603 7.710 10.664 1.00 0.00 N ATOM 876 CA ASN A 56 4.149 7.066 11.854 1.00 0.00 C ATOM 877 C ASN A 56 5.673 7.136 11.859 1.00 0.00 C ATOM 878 O ASN A 56 6.289 7.384 12.895 1.00 0.00 O ATOM 879 CB ASN A 56 3.694 5.607 11.924 1.00 0.00 C ATOM 880 CG ASN A 56 4.099 4.938 13.223 1.00 0.00 C ATOM 881 OD1 ASN A 56 4.972 4.069 13.240 1.00 0.00 O ATOM 882 ND2 ASN A 56 3.465 5.339 14.318 1.00 0.00 N ATOM 0 H ASN A 56 3.010 7.108 10.093 1.00 0.00 H new ATOM 0 HA ASN A 56 3.775 7.598 12.729 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.610 5.562 11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.120 5.056 11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.694 4.924 15.221 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.748 6.062 14.256 1.00 0.00 H new ATOM 889 N ASN A 57 6.274 6.916 10.695 1.00 0.00 N ATOM 890 CA ASN A 57 7.726 6.954 10.565 1.00 0.00 C ATOM 891 C ASN A 57 8.279 8.300 11.026 1.00 0.00 C ATOM 892 O ASN A 57 7.522 9.219 11.338 1.00 0.00 O ATOM 893 CB ASN A 57 8.137 6.692 9.115 1.00 0.00 C ATOM 894 CG ASN A 57 9.591 6.278 8.992 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.050 5.370 9.685 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.322 6.944 8.106 1.00 0.00 N ATOM 0 H ASN A 57 5.778 6.709 9.828 1.00 0.00 H new ATOM 0 HA ASN A 57 8.142 6.173 11.201 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.503 5.911 8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.967 7.592 8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.307 6.710 7.978 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.899 7.690 7.553 1.00 0.00 H new ATOM 903 N SER A 58 9.603 8.408 11.066 1.00 0.00 N ATOM 904 CA SER A 58 10.257 9.640 11.491 1.00 0.00 C ATOM 905 C SER A 58 10.675 10.477 10.286 1.00 0.00 C ATOM 906 O SER A 58 10.413 11.677 10.229 1.00 0.00 O ATOM 907 CB SER A 58 11.480 9.321 12.354 1.00 0.00 C ATOM 908 OG SER A 58 11.119 9.182 13.717 1.00 0.00 O ATOM 0 H SER A 58 10.244 7.657 10.809 1.00 0.00 H new ATOM 0 HA SER A 58 9.544 10.216 12.081 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.947 8.401 12.003 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.220 10.114 12.249 1.00 0.00 H new ATOM 0 HG SER A 58 11.917 8.977 14.247 1.00 0.00 H new ATOM 914 N ASN A 59 11.327 9.833 9.323 1.00 0.00 N ATOM 915 CA ASN A 59 11.783 10.517 8.119 1.00 0.00 C ATOM 916 C ASN A 59 10.677 11.394 7.540 1.00 0.00 C ATOM 917 O ASN A 59 10.853 12.600 7.366 1.00 0.00 O ATOM 918 CB ASN A 59 12.244 9.500 7.073 1.00 0.00 C ATOM 919 CG ASN A 59 13.217 10.097 6.075 1.00 0.00 C ATOM 920 OD1 ASN A 59 14.337 9.612 5.916 1.00 0.00 O ATOM 921 ND2 ASN A 59 12.792 11.156 5.395 1.00 0.00 N ATOM 0 H ASN A 59 11.551 8.838 9.353 1.00 0.00 H new ATOM 0 HA ASN A 59 12.624 11.155 8.390 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.715 8.655 7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.376 9.111 6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.402 11.600 4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.855 11.525 5.559 1.00 0.00 H new ATOM 928 N PHE A 60 9.537 10.779 7.243 1.00 0.00 N ATOM 929 CA PHE A 60 8.401 11.503 6.683 1.00 0.00 C ATOM 930 C PHE A 60 7.692 12.319 7.760 1.00 0.00 C ATOM 931 O PHE A 60 7.271 13.450 7.520 1.00 0.00 O ATOM 932 CB PHE A 60 7.416 10.527 6.036 1.00 0.00 C ATOM 933 CG PHE A 60 7.998 9.769 4.877 1.00 0.00 C ATOM 934 CD1 PHE A 60 7.967 10.302 3.598 1.00 0.00 C ATOM 935 CD2 PHE A 60 8.574 8.523 5.066 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.502 9.607 2.530 1.00 0.00 C ATOM 937 CE2 PHE A 60 9.110 7.824 4.001 1.00 0.00 C ATOM 938 CZ PHE A 60 9.073 8.366 2.732 1.00 0.00 C ATOM 0 H PHE A 60 9.375 9.781 7.381 1.00 0.00 H new ATOM 0 HA PHE A 60 8.777 12.187 5.922 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.073 9.817 6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.540 11.079 5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.520 11.271 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.604 8.093 6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.474 10.034 1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.558 6.854 4.162 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.490 7.820 1.898 1.00 0.00 H new ATOM 948 N GLY A 61 7.565 11.737 8.948 1.00 0.00 N ATOM 949 CA GLY A 61 6.906 12.424 10.044 1.00 0.00 C ATOM 950 C GLY A 61 5.423 12.617 9.799 1.00 0.00 C ATOM 951 O GLY A 61 4.901 12.295 8.731 1.00 0.00 O ATOM 0 H GLY A 61 7.906 10.802 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.048 11.856 10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.376 13.396 10.194 1.00 0.00 H new ATOM 955 N PRO A 62 4.718 13.152 10.807 1.00 0.00 N ATOM 956 CA PRO A 62 3.275 13.398 10.720 1.00 0.00 C ATOM 957 C PRO A 62 2.937 14.527 9.754 1.00 0.00 C ATOM 958 O PRO A 62 1.767 14.777 9.462 1.00 0.00 O ATOM 959 CB PRO A 62 2.895 13.787 12.151 1.00 0.00 C ATOM 960 CG PRO A 62 4.150 14.330 12.742 1.00 0.00 C ATOM 961 CD PRO A 62 5.274 13.558 12.108 1.00 0.00 C ATOM 0 HA PRO A 62 2.735 12.530 10.342 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.099 14.531 12.161 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.533 12.926 12.713 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.247 15.397 12.540 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.156 14.209 13.825 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.167 14.172 11.989 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.559 12.695 12.710 1.00 0.00 H new ATOM 969 N GLU A 63 3.967 15.206 9.260 1.00 0.00 N ATOM 970 CA GLU A 63 3.777 16.310 8.325 1.00 0.00 C ATOM 971 C GLU A 63 3.176 15.814 7.013 1.00 0.00 C ATOM 972 O GLU A 63 2.359 16.497 6.395 1.00 0.00 O ATOM 973 CB GLU A 63 5.109 17.014 8.055 1.00 0.00 C ATOM 974 CG GLU A 63 6.214 16.073 7.606 1.00 0.00 C ATOM 975 CD GLU A 63 7.438 16.811 7.100 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.915 17.724 7.807 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.920 16.477 5.997 1.00 0.00 O ATOM 0 H GLU A 63 4.941 15.012 9.491 1.00 0.00 H new ATOM 0 HA GLU A 63 3.084 17.020 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.959 17.776 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.428 17.530 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.500 15.431 8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.835 15.423 6.818 1.00 0.00 H new ATOM 984 N VAL A 64 3.587 14.622 6.593 1.00 0.00 N ATOM 985 CA VAL A 64 3.090 14.034 5.356 1.00 0.00 C ATOM 986 C VAL A 64 1.568 13.940 5.365 1.00 0.00 C ATOM 987 O VAL A 64 0.954 13.720 6.409 1.00 0.00 O ATOM 988 CB VAL A 64 3.679 12.630 5.125 1.00 0.00 C ATOM 989 CG1 VAL A 64 3.226 11.674 6.218 1.00 0.00 C ATOM 990 CG2 VAL A 64 3.285 12.106 3.752 1.00 0.00 C ATOM 0 H VAL A 64 4.264 14.044 7.092 1.00 0.00 H new ATOM 0 HA VAL A 64 3.406 14.690 4.545 1.00 0.00 H new ATOM 0 HB VAL A 64 4.766 12.701 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.652 10.687 6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.563 12.043 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.138 11.606 6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.710 11.113 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.199 12.050 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.664 12.779 2.983 1.00 0.00 H new ATOM 1000 N THR A 65 0.963 14.107 4.193 1.00 0.00 N ATOM 1001 CA THR A 65 -0.487 14.042 4.065 1.00 0.00 C ATOM 1002 C THR A 65 -0.897 13.122 2.920 1.00 0.00 C ATOM 1003 O THR A 65 -0.073 12.748 2.086 1.00 0.00 O ATOM 1004 CB THR A 65 -1.094 15.438 3.830 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.523 15.367 3.890 1.00 0.00 O ATOM 1006 CG2 THR A 65 -0.665 15.994 2.480 1.00 0.00 C ATOM 0 H THR A 65 1.456 14.288 3.318 1.00 0.00 H new ATOM 0 HA THR A 65 -0.869 13.642 5.004 1.00 0.00 H new ATOM 0 HB THR A 65 -0.731 16.105 4.612 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.901 16.259 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.106 16.980 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.422 16.074 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.003 15.326 1.687 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.176 12.762 2.886 1.00 0.00 N ATOM 1015 CA ARG A 66 -2.695 11.886 1.842 1.00 0.00 C ATOM 1016 C ARG A 66 -2.033 12.186 0.501 1.00 0.00 C ATOM 1017 O ARG A 66 -1.586 11.277 -0.198 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.212 12.045 1.721 1.00 0.00 C ATOM 1019 CG ARG A 66 -4.901 10.848 1.086 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.388 11.099 0.893 1.00 0.00 C ATOM 1021 NE ARG A 66 -6.642 12.202 -0.031 1.00 0.00 N ATOM 1022 CZ ARG A 66 -6.681 13.477 0.340 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -6.484 13.808 1.609 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -6.917 14.423 -0.559 1.00 0.00 N ATOM 0 H ARG A 66 -2.871 13.063 3.569 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.465 10.857 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.632 12.211 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.430 12.935 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.440 10.630 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.758 9.969 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.862 10.193 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.846 11.321 1.857 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.798 11.981 -1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.302 13.083 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.514 14.788 1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.069 14.172 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.947 15.402 -0.274 1.00 0.00 H new ATOM 1038 N GLN A 67 -1.976 13.467 0.148 1.00 0.00 N ATOM 1039 CA GLN A 67 -1.369 13.886 -1.110 1.00 0.00 C ATOM 1040 C GLN A 67 -0.121 13.064 -1.413 1.00 0.00 C ATOM 1041 O GLN A 67 -0.043 12.392 -2.441 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.016 15.373 -1.059 1.00 0.00 C ATOM 1043 CG GLN A 67 -0.806 15.995 -2.430 1.00 0.00 C ATOM 1044 CD GLN A 67 -0.688 17.505 -2.374 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -0.471 18.083 -1.309 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -0.829 18.154 -3.524 1.00 0.00 N ATOM 0 H GLN A 67 -2.342 14.232 0.715 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.093 13.719 -1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.813 15.910 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.110 15.503 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.097 15.580 -2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.638 15.723 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.008 17.635 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.758 19.171 -3.548 1.00 0.00 H new ATOM 1055 N GLN A 68 0.854 13.124 -0.511 1.00 0.00 N ATOM 1056 CA GLN A 68 2.100 12.386 -0.683 1.00 0.00 C ATOM 1057 C GLN A 68 1.832 10.890 -0.816 1.00 0.00 C ATOM 1058 O GLN A 68 2.459 10.205 -1.625 1.00 0.00 O ATOM 1059 CB GLN A 68 3.038 12.645 0.496 1.00 0.00 C ATOM 1060 CG GLN A 68 3.535 14.080 0.574 1.00 0.00 C ATOM 1061 CD GLN A 68 4.755 14.323 -0.292 1.00 0.00 C ATOM 1062 OE1 GLN A 68 5.249 13.413 -0.959 1.00 0.00 O ATOM 1063 NE2 GLN A 68 5.250 15.555 -0.286 1.00 0.00 N ATOM 0 H GLN A 68 0.805 13.676 0.346 1.00 0.00 H new ATOM 0 HA GLN A 68 2.576 12.735 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.520 12.398 1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.895 11.976 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.736 14.754 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.775 14.321 1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.809 16.279 0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.071 15.777 -0.849 1.00 0.00 H new ATOM 1072 N THR A 69 0.897 10.388 -0.015 1.00 0.00 N ATOM 1073 CA THR A 69 0.548 8.973 -0.042 1.00 0.00 C ATOM 1074 C THR A 69 0.119 8.539 -1.438 1.00 0.00 C ATOM 1075 O THR A 69 0.704 7.626 -2.022 1.00 0.00 O ATOM 1076 CB THR A 69 -0.585 8.655 0.953 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.222 9.097 2.266 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.881 7.163 0.978 1.00 0.00 C ATOM 0 H THR A 69 0.368 10.940 0.660 1.00 0.00 H new ATOM 0 HA THR A 69 1.442 8.421 0.248 1.00 0.00 H new ATOM 0 HB THR A 69 -1.482 9.181 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.373 10.062 2.340 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.684 6.963 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.185 6.836 -0.016 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.014 6.620 1.281 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.905 9.198 -1.970 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.410 8.880 -3.300 1.00 0.00 C ATOM 1088 C ILE A 70 -0.300 8.957 -4.342 1.00 0.00 C ATOM 1089 O ILE A 70 -0.155 8.063 -5.175 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.551 9.830 -3.710 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.728 9.696 -2.742 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.995 9.540 -5.136 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.768 10.783 -2.900 1.00 0.00 C ATOM 0 H ILE A 70 -1.401 9.955 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.794 7.861 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.184 10.855 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.202 8.726 -2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.350 9.712 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.802 10.219 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.154 9.682 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.348 8.511 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.572 10.624 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.308 11.755 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.174 10.754 -3.911 1.00 0.00 H new ATOM 1105 N GLN A 71 0.482 10.031 -4.288 1.00 0.00 N ATOM 1106 CA GLN A 71 1.580 10.223 -5.227 1.00 0.00 C ATOM 1107 C GLN A 71 2.541 9.040 -5.191 1.00 0.00 C ATOM 1108 O GLN A 71 2.997 8.565 -6.233 1.00 0.00 O ATOM 1109 CB GLN A 71 2.333 11.516 -4.907 1.00 0.00 C ATOM 1110 CG GLN A 71 1.549 12.775 -5.241 1.00 0.00 C ATOM 1111 CD GLN A 71 2.419 14.016 -5.265 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.425 14.096 -4.559 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.037 14.992 -6.080 1.00 0.00 N ATOM 0 H GLN A 71 0.375 10.780 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 71 1.158 10.295 -6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.586 11.526 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.273 11.526 -5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.070 12.653 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.753 12.908 -4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.196 14.883 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.584 15.851 -6.139 1.00 0.00 H new ATOM 1122 N LEU A 72 2.846 8.568 -3.988 1.00 0.00 N ATOM 1123 CA LEU A 72 3.754 7.439 -3.816 1.00 0.00 C ATOM 1124 C LEU A 72 3.148 6.161 -4.386 1.00 0.00 C ATOM 1125 O LEU A 72 3.811 5.416 -5.110 1.00 0.00 O ATOM 1126 CB LEU A 72 4.082 7.244 -2.334 1.00 0.00 C ATOM 1127 CG LEU A 72 4.870 5.982 -1.982 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.258 6.028 -2.602 1.00 0.00 C ATOM 1129 CD2 LEU A 72 4.964 5.817 -0.472 1.00 0.00 C ATOM 0 H LEU A 72 2.478 8.949 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 72 4.673 7.658 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.649 8.110 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.147 7.233 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 72 4.341 5.121 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.804 5.121 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.170 6.098 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.797 6.897 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.528 4.914 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.470 6.682 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.962 5.737 -0.052 1.00 0.00 H new ATOM 1141 N LEU A 73 1.885 5.914 -4.059 1.00 0.00 N ATOM 1142 CA LEU A 73 1.187 4.726 -4.540 1.00 0.00 C ATOM 1143 C LEU A 73 1.450 4.506 -6.027 1.00 0.00 C ATOM 1144 O LEU A 73 1.668 3.377 -6.468 1.00 0.00 O ATOM 1145 CB LEU A 73 -0.316 4.857 -4.291 1.00 0.00 C ATOM 1146 CG LEU A 73 -1.135 3.574 -4.435 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -1.001 2.713 -3.188 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.596 3.901 -4.704 1.00 0.00 C ATOM 0 H LEU A 73 1.322 6.521 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 73 1.566 3.864 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.464 5.248 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.715 5.599 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.747 3.012 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.591 1.804 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.046 2.449 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.362 3.268 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.164 2.976 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.997 4.485 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.676 4.477 -5.626 1.00 0.00 H new ATOM 1160 N ARG A 74 1.431 5.592 -6.793 1.00 0.00 N ATOM 1161 CA ARG A 74 1.669 5.517 -8.230 1.00 0.00 C ATOM 1162 C ARG A 74 3.043 4.924 -8.523 1.00 0.00 C ATOM 1163 O ARG A 74 3.194 4.090 -9.417 1.00 0.00 O ATOM 1164 CB ARG A 74 1.556 6.906 -8.859 1.00 0.00 C ATOM 1165 CG ARG A 74 0.140 7.458 -8.868 1.00 0.00 C ATOM 1166 CD ARG A 74 0.134 8.978 -8.812 1.00 0.00 C ATOM 1167 NE ARG A 74 -1.146 9.536 -9.239 1.00 0.00 N ATOM 1168 CZ ARG A 74 -1.587 10.733 -8.867 1.00 0.00 C ATOM 1169 NH1 ARG A 74 -0.854 11.493 -8.065 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -2.762 11.172 -9.298 1.00 0.00 N ATOM 0 H ARG A 74 1.253 6.534 -6.443 1.00 0.00 H new ATOM 0 HA ARG A 74 0.911 4.865 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.202 7.595 -8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.926 6.863 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.376 7.124 -9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.413 7.059 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.350 9.304 -7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.929 9.367 -9.448 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.734 8.976 -9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.051 11.159 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.195 12.411 -7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.328 10.591 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.099 12.091 -9.012 1.00 0.00 H new ATOM 1184 N LYS A 75 4.044 5.359 -7.766 1.00 0.00 N ATOM 1185 CA LYS A 75 5.407 4.872 -7.943 1.00 0.00 C ATOM 1186 C LYS A 75 5.478 3.364 -7.723 1.00 0.00 C ATOM 1187 O LYS A 75 5.889 2.616 -8.611 1.00 0.00 O ATOM 1188 CB LYS A 75 6.355 5.584 -6.976 1.00 0.00 C ATOM 1189 CG LYS A 75 6.962 6.855 -7.544 1.00 0.00 C ATOM 1190 CD LYS A 75 7.646 7.678 -6.465 1.00 0.00 C ATOM 1191 CE LYS A 75 7.743 9.143 -6.860 1.00 0.00 C ATOM 1192 NZ LYS A 75 8.600 9.338 -8.062 1.00 0.00 N ATOM 0 H LYS A 75 3.937 6.049 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 75 5.713 5.088 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.813 5.827 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.158 4.901 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.684 6.599 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.182 7.451 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.092 7.588 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.645 7.282 -6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.745 9.532 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.149 9.717 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.710 10.355 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.535 8.914 -7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.155 8.881 -8.884 1.00 0.00 H new ATOM 1206 N PHE A 76 5.074 2.924 -6.536 1.00 0.00 N ATOM 1207 CA PHE A 76 5.092 1.505 -6.201 1.00 0.00 C ATOM 1208 C PHE A 76 4.680 0.657 -7.401 1.00 0.00 C ATOM 1209 O PHE A 76 5.445 -0.187 -7.870 1.00 0.00 O ATOM 1210 CB PHE A 76 4.158 1.226 -5.021 1.00 0.00 C ATOM 1211 CG PHE A 76 4.713 1.673 -3.699 1.00 0.00 C ATOM 1212 CD1 PHE A 76 6.024 1.388 -3.351 1.00 0.00 C ATOM 1213 CD2 PHE A 76 3.925 2.377 -2.804 1.00 0.00 C ATOM 1214 CE1 PHE A 76 6.537 1.796 -2.134 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.432 2.789 -1.586 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.741 2.499 -1.251 1.00 0.00 C ATOM 0 H PHE A 76 4.730 3.529 -5.790 1.00 0.00 H new ATOM 0 HA PHE A 76 6.111 1.237 -5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.206 1.728 -5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.951 0.157 -4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.652 0.841 -4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.902 2.607 -3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.559 1.565 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.806 3.337 -0.897 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.141 2.821 -0.301 1.00 0.00 H new ATOM 1226 N LEU A 77 3.468 0.887 -7.892 1.00 0.00 N ATOM 1227 CA LEU A 77 2.953 0.145 -9.037 1.00 0.00 C ATOM 1228 C LEU A 77 3.968 0.126 -10.175 1.00 0.00 C ATOM 1229 O LEU A 77 4.179 -0.904 -10.817 1.00 0.00 O ATOM 1230 CB LEU A 77 1.639 0.761 -9.521 1.00 0.00 C ATOM 1231 CG LEU A 77 1.033 0.146 -10.783 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.473 -1.236 -10.487 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.050 1.052 -11.351 1.00 0.00 C ATOM 0 H LEU A 77 2.823 1.582 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 77 2.771 -0.882 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.907 0.685 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.804 1.823 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 77 1.821 0.044 -11.529 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.046 -1.658 -11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.273 -1.883 -10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.302 -1.159 -9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.470 0.598 -12.249 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.838 1.186 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.381 2.021 -11.602 1.00 0.00 H new ATOM 1245 N LYS A 78 4.597 1.270 -10.419 1.00 0.00 N ATOM 1246 CA LYS A 78 5.594 1.386 -11.477 1.00 0.00 C ATOM 1247 C LYS A 78 6.791 0.484 -11.197 1.00 0.00 C ATOM 1248 O LYS A 78 7.322 -0.157 -12.103 1.00 0.00 O ATOM 1249 CB LYS A 78 6.057 2.838 -11.613 1.00 0.00 C ATOM 1250 CG LYS A 78 7.064 3.054 -12.729 1.00 0.00 C ATOM 1251 CD LYS A 78 8.490 2.880 -12.234 1.00 0.00 C ATOM 1252 CE LYS A 78 8.923 4.048 -11.361 1.00 0.00 C ATOM 1253 NZ LYS A 78 10.400 4.237 -11.378 1.00 0.00 N ATOM 0 H LYS A 78 4.434 2.132 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 78 5.133 1.069 -12.413 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.189 3.472 -11.791 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.498 3.160 -10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.870 2.349 -13.537 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.941 4.055 -13.143 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.569 1.952 -11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.164 2.792 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.436 4.960 -11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.591 3.878 -10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.654 5.042 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.864 3.376 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.715 4.424 -12.351 1.00 0.00 H new ATOM 1267 N ASN A 79 7.211 0.438 -9.937 1.00 0.00 N ATOM 1268 CA ASN A 79 8.345 -0.387 -9.538 1.00 0.00 C ATOM 1269 C ASN A 79 7.945 -1.857 -9.450 1.00 0.00 C ATOM 1270 O ASN A 79 8.722 -2.697 -8.996 1.00 0.00 O ATOM 1271 CB ASN A 79 8.897 0.084 -8.191 1.00 0.00 C ATOM 1272 CG ASN A 79 8.897 1.595 -8.064 1.00 0.00 C ATOM 1273 OD1 ASN A 79 8.023 2.176 -7.420 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.882 2.240 -8.678 1.00 0.00 N ATOM 0 H ASN A 79 6.783 0.963 -9.174 1.00 0.00 H new ATOM 0 HA ASN A 79 9.121 -0.285 -10.297 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.300 -0.346 -7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.914 -0.288 -8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.935 3.257 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.585 1.718 -9.201 1.00 0.00 H new ATOM 1281 N HIS A 80 6.727 -2.160 -9.888 1.00 0.00 N ATOM 1282 CA HIS A 80 6.223 -3.528 -9.860 1.00 0.00 C ATOM 1283 C HIS A 80 6.050 -4.014 -8.424 1.00 0.00 C ATOM 1284 O HIS A 80 6.217 -5.199 -8.134 1.00 0.00 O ATOM 1285 CB HIS A 80 7.172 -4.459 -10.615 1.00 0.00 C ATOM 1286 CG HIS A 80 6.489 -5.643 -11.227 1.00 0.00 C ATOM 1287 ND1 HIS A 80 7.042 -6.386 -12.249 1.00 0.00 N ATOM 1288 CD2 HIS A 80 5.292 -6.213 -10.954 1.00 0.00 C ATOM 1289 CE1 HIS A 80 6.213 -7.360 -12.579 1.00 0.00 C ATOM 1290 NE2 HIS A 80 5.144 -7.278 -11.808 1.00 0.00 N ATOM 0 H HIS A 80 6.071 -1.477 -10.266 1.00 0.00 H new ATOM 0 HA HIS A 80 5.249 -3.540 -10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.674 -3.894 -11.400 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.945 -4.809 -9.931 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.585 -5.890 -10.204 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.381 -8.098 -13.349 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.339 -7.904 -11.841 1.00 0.00 H new ATOM 1298 N VAL A 81 5.715 -3.091 -7.528 1.00 0.00 N ATOM 1299 CA VAL A 81 5.519 -3.426 -6.122 1.00 0.00 C ATOM 1300 C VAL A 81 4.119 -3.978 -5.879 1.00 0.00 C ATOM 1301 O VAL A 81 3.915 -4.811 -4.994 1.00 0.00 O ATOM 1302 CB VAL A 81 5.739 -2.199 -5.218 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.436 -2.543 -3.767 1.00 0.00 C ATOM 1304 CG2 VAL A 81 7.161 -1.677 -5.364 1.00 0.00 C ATOM 0 H VAL A 81 5.574 -2.106 -7.750 1.00 0.00 H new ATOM 0 HA VAL A 81 6.256 -4.189 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 81 5.053 -1.412 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.597 -1.664 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.399 -2.866 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.095 -3.347 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.298 -0.810 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.866 -2.458 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.338 -1.389 -6.400 1.00 0.00 H new ATOM 1314 N ILE A 82 3.159 -3.511 -6.669 1.00 0.00 N ATOM 1315 CA ILE A 82 1.778 -3.960 -6.540 1.00 0.00 C ATOM 1316 C ILE A 82 1.144 -4.188 -7.908 1.00 0.00 C ATOM 1317 O ILE A 82 1.118 -3.288 -8.748 1.00 0.00 O ATOM 1318 CB ILE A 82 0.927 -2.945 -5.754 1.00 0.00 C ATOM 1319 CG1 ILE A 82 1.153 -1.532 -6.294 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.259 -3.012 -4.271 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.071 -0.552 -5.895 1.00 0.00 C ATOM 0 H ILE A 82 3.312 -2.822 -7.405 1.00 0.00 H new ATOM 0 HA ILE A 82 1.802 -4.902 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.126 -3.198 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.115 -1.165 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.212 -1.573 -7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.650 -2.289 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.052 -4.015 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.314 -2.781 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.297 0.429 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.890 -0.896 -6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.026 -0.482 -4.808 1.00 0.00 H new ATOM 1333 N GLU A 83 0.633 -5.396 -8.124 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.002 -5.740 -9.390 1.00 0.00 C ATOM 1335 C GLU A 83 -1.523 -5.704 -9.264 1.00 0.00 C ATOM 1336 O GLU A 83 -2.084 -6.152 -8.264 1.00 0.00 O ATOM 1337 CB GLU A 83 0.449 -7.128 -9.852 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.467 -7.751 -10.892 1.00 0.00 C ATOM 1339 CD GLU A 83 0.166 -8.939 -11.590 1.00 0.00 C ATOM 1340 OE1 GLU A 83 1.002 -9.620 -10.960 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.174 -9.188 -12.765 1.00 0.00 O ATOM 0 H GLU A 83 0.646 -6.152 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 83 0.302 -5.001 -10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.456 -7.055 -10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.505 -7.789 -8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.393 -8.067 -10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.733 -6.998 -11.634 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.182 -5.166 -10.284 1.00 0.00 N ATOM 1349 CA ASP A 84 -3.638 -5.071 -10.289 1.00 0.00 C ATOM 1350 C ASP A 84 -4.273 -6.456 -10.368 1.00 0.00 C ATOM 1351 O ASP A 84 -3.591 -7.448 -10.629 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.110 -4.212 -11.463 1.00 0.00 C ATOM 1353 CG ASP A 84 -5.475 -3.598 -11.219 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -5.563 -2.651 -10.410 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -6.454 -4.064 -11.838 1.00 0.00 O ATOM 0 H ASP A 84 -1.732 -4.789 -11.118 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.950 -4.601 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.385 -3.418 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.145 -4.823 -12.365 1.00 0.00 H new ATOM 1360 N ILE A 85 -5.580 -6.515 -10.140 1.00 0.00 N ATOM 1361 CA ILE A 85 -6.306 -7.778 -10.185 1.00 0.00 C ATOM 1362 C ILE A 85 -6.178 -8.437 -11.554 1.00 0.00 C ATOM 1363 O ILE A 85 -6.161 -9.663 -11.666 1.00 0.00 O ATOM 1364 CB ILE A 85 -7.799 -7.581 -9.861 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -8.537 -8.921 -9.919 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -8.423 -6.584 -10.826 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -8.385 -9.749 -8.662 1.00 0.00 C ATOM 0 H ILE A 85 -6.158 -5.703 -9.922 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.860 -8.425 -9.429 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.887 -7.183 -8.850 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.596 -8.736 -10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.167 -9.494 -10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.478 -6.455 -10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.911 -5.625 -10.740 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.327 -6.956 -11.846 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.934 -10.684 -8.774 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.330 -9.965 -8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.782 -9.195 -7.811 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.085 -7.616 -12.594 1.00 0.00 N ATOM 1380 CA LYS A 86 -5.955 -8.117 -13.957 1.00 0.00 C ATOM 1381 C LYS A 86 -4.489 -8.185 -14.373 1.00 0.00 C ATOM 1382 O LYS A 86 -4.065 -9.131 -15.037 1.00 0.00 O ATOM 1383 CB LYS A 86 -6.731 -7.224 -14.927 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.225 -7.495 -14.941 1.00 0.00 C ATOM 1385 CD LYS A 86 -8.562 -8.716 -15.780 1.00 0.00 C ATOM 1386 CE LYS A 86 -10.011 -9.140 -15.591 1.00 0.00 C ATOM 1387 NZ LYS A 86 -10.206 -10.589 -15.871 1.00 0.00 N ATOM 0 H LYS A 86 -6.097 -6.599 -12.519 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.371 -9.124 -13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.562 -6.180 -14.661 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.335 -7.365 -15.933 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.578 -7.645 -13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.750 -6.625 -15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.380 -8.497 -16.832 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.902 -9.540 -15.507 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.323 -8.922 -14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.650 -8.553 -16.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.206 -10.838 -15.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.933 -10.793 -16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.616 -11.150 -15.224 1.00 0.00 H new ATOM 1401 N GLY A 87 -3.718 -7.177 -13.977 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.308 -7.143 -14.318 1.00 0.00 C ATOM 1403 C GLY A 87 -1.929 -5.898 -15.096 1.00 0.00 C ATOM 1404 O GLY A 87 -1.320 -5.986 -16.162 1.00 0.00 O ATOM 0 H GLY A 87 -4.045 -6.383 -13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.715 -7.191 -13.405 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.058 -8.026 -14.907 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.291 -4.736 -14.563 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.988 -3.468 -15.216 1.00 0.00 C ATOM 1410 C ARG A 88 -0.683 -2.882 -14.685 1.00 0.00 C ATOM 1411 O ARG A 88 -0.410 -1.694 -14.858 1.00 0.00 O ATOM 1412 CB ARG A 88 -3.131 -2.474 -15.003 1.00 0.00 C ATOM 1413 CG ARG A 88 -4.479 -2.985 -15.483 1.00 0.00 C ATOM 1414 CD ARG A 88 -5.431 -1.839 -15.791 1.00 0.00 C ATOM 1415 NE ARG A 88 -4.917 -0.969 -16.844 1.00 0.00 N ATOM 1416 CZ ARG A 88 -5.678 -0.136 -17.546 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -6.980 -0.061 -17.306 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -5.136 0.625 -18.489 1.00 0.00 N ATOM 0 H ARG A 88 -2.795 -4.646 -13.681 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.874 -3.656 -16.284 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.200 -2.234 -13.942 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.897 -1.546 -15.525 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.341 -3.595 -16.376 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.918 -3.629 -14.721 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.398 -2.242 -16.093 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.598 -1.254 -14.887 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.919 -1.002 -17.052 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.399 -0.643 -16.581 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.562 0.579 -17.846 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.135 0.571 -18.675 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.721 1.264 -19.027 1.00 0.00 H new ATOM 1432 N TRP A 89 0.117 -3.722 -14.039 1.00 0.00 N ATOM 1433 CA TRP A 89 1.393 -3.286 -13.482 1.00 0.00 C ATOM 1434 C TRP A 89 2.287 -2.696 -14.567 1.00 0.00 C ATOM 1435 O TRP A 89 2.235 -3.114 -15.723 1.00 0.00 O ATOM 1436 CB TRP A 89 2.102 -4.457 -12.800 1.00 0.00 C ATOM 1437 CG TRP A 89 2.608 -5.488 -13.764 1.00 0.00 C ATOM 1438 CD1 TRP A 89 1.880 -6.473 -14.367 1.00 0.00 C ATOM 1439 CD2 TRP A 89 3.952 -5.635 -14.234 1.00 0.00 C ATOM 1440 NE1 TRP A 89 2.691 -7.225 -15.183 1.00 0.00 N ATOM 1441 CE2 TRP A 89 3.966 -6.730 -15.120 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.145 -4.948 -13.994 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 5.127 -7.152 -15.763 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.296 -5.368 -14.633 1.00 0.00 C ATOM 1445 CH2 TRP A 89 6.280 -6.460 -15.509 1.00 0.00 C ATOM 0 H TRP A 89 -0.095 -4.708 -13.888 1.00 0.00 H new ATOM 0 HA TRP A 89 1.193 -2.511 -12.742 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.939 -4.075 -12.215 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.414 -4.931 -12.100 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.822 -6.637 -14.224 1.00 0.00 H new ATOM 0 HE1 TRP A 89 2.392 -8.022 -15.744 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.167 -4.104 -13.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 5.118 -7.995 -16.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.224 -4.845 -14.454 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.196 -6.762 -15.994 1.00 0.00 H new ATOM 1456 N GLY A 90 3.109 -1.722 -14.187 1.00 0.00 N ATOM 1457 CA GLY A 90 4.003 -1.091 -15.140 1.00 0.00 C ATOM 1458 C GLY A 90 3.646 0.359 -15.398 1.00 0.00 C ATOM 1459 O GLY A 90 4.465 1.127 -15.902 1.00 0.00 O ATOM 0 H GLY A 90 3.171 -1.359 -13.236 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.026 -1.149 -14.768 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.974 -1.642 -16.080 1.00 0.00 H new ATOM 1463 N SER A 91 2.418 0.735 -15.053 1.00 0.00 N ATOM 1464 CA SER A 91 1.952 2.102 -15.255 1.00 0.00 C ATOM 1465 C SER A 91 1.878 2.852 -13.929 1.00 0.00 C ATOM 1466 O SER A 91 2.139 2.286 -12.868 1.00 0.00 O ATOM 1467 CB SER A 91 0.580 2.100 -15.931 1.00 0.00 C ATOM 1468 OG SER A 91 0.683 1.725 -17.294 1.00 0.00 O ATOM 0 H SER A 91 1.728 0.112 -14.632 1.00 0.00 H new ATOM 0 HA SER A 91 2.667 2.612 -15.901 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.084 1.410 -15.410 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.133 3.091 -15.856 1.00 0.00 H new ATOM 0 HG SER A 91 -0.208 1.730 -17.703 1.00 0.00 H new ATOM 1474 N GLU A 92 1.520 4.131 -13.999 1.00 0.00 N ATOM 1475 CA GLU A 92 1.412 4.959 -12.804 1.00 0.00 C ATOM 1476 C GLU A 92 -0.024 5.436 -12.600 1.00 0.00 C ATOM 1477 O GLU A 92 -0.277 6.367 -11.838 1.00 0.00 O ATOM 1478 CB GLU A 92 2.351 6.163 -12.904 1.00 0.00 C ATOM 1479 CG GLU A 92 3.805 5.783 -13.132 1.00 0.00 C ATOM 1480 CD GLU A 92 4.770 6.826 -12.604 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.403 7.547 -11.653 1.00 0.00 O ATOM 1482 OE2 GLU A 92 5.893 6.921 -13.142 1.00 0.00 O ATOM 0 H GLU A 92 1.300 4.615 -14.870 1.00 0.00 H new ATOM 0 HA GLU A 92 1.701 4.352 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.020 6.805 -13.720 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.277 6.748 -11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.007 4.828 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.977 5.642 -14.199 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.959 4.791 -13.290 1.00 0.00 N ATOM 1490 CA ASN A 93 -2.369 5.149 -13.186 1.00 0.00 C ATOM 1491 C ASN A 93 -3.013 4.478 -11.977 1.00 0.00 C ATOM 1492 O ASN A 93 -3.338 3.292 -12.011 1.00 0.00 O ATOM 1493 CB ASN A 93 -3.113 4.749 -14.462 1.00 0.00 C ATOM 1494 CG ASN A 93 -2.888 3.295 -14.830 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -1.764 2.796 -14.778 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -3.961 2.607 -15.205 1.00 0.00 N ATOM 0 H ASN A 93 -0.766 4.018 -13.927 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.436 6.229 -13.058 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.180 4.926 -14.328 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.785 5.384 -15.285 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.872 1.625 -15.464 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.874 3.061 -15.234 1.00 0.00 H new ATOM 1503 N VAL A 94 -3.195 5.248 -10.908 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.802 4.730 -9.688 1.00 0.00 C ATOM 1505 C VAL A 94 -4.518 5.834 -8.918 1.00 0.00 C ATOM 1506 O VAL A 94 -4.001 6.943 -8.780 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.750 4.078 -8.770 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.181 2.824 -9.417 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.643 5.068 -8.443 1.00 0.00 C ATOM 0 H VAL A 94 -2.931 6.232 -10.863 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.527 3.974 -9.992 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.235 3.789 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.440 2.377 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.985 2.110 -9.596 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.710 3.085 -10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.909 4.591 -7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.158 5.389 -9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.068 5.934 -7.936 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.708 5.523 -8.418 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.495 6.489 -7.660 1.00 0.00 C ATOM 1521 C ASP A 95 -6.959 5.892 -6.335 1.00 0.00 C ATOM 1522 O ASP A 95 -6.898 4.679 -6.134 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.704 6.948 -8.477 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.382 8.126 -9.375 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -7.169 9.236 -8.843 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.343 7.939 -10.609 1.00 0.00 O ATOM 0 H ASP A 95 -6.149 4.610 -8.524 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.861 7.350 -7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.064 6.118 -9.086 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.514 7.221 -7.800 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.420 6.752 -5.433 1.00 0.00 N ATOM 1532 CA ASP A 96 -7.894 6.310 -4.127 1.00 0.00 C ATOM 1533 C ASP A 96 -9.329 5.799 -4.214 1.00 0.00 C ATOM 1534 O ASP A 96 -10.009 5.654 -3.199 1.00 0.00 O ATOM 1535 CB ASP A 96 -7.806 7.453 -3.115 1.00 0.00 C ATOM 1536 CG ASP A 96 -8.570 8.683 -3.565 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -9.814 8.679 -3.465 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -7.922 9.651 -4.017 1.00 0.00 O ATOM 0 H ASP A 96 -7.475 7.759 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.256 5.491 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.198 7.116 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.760 7.716 -2.958 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.783 5.529 -5.433 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.138 5.036 -5.653 1.00 0.00 C ATOM 1545 C ASN A 97 -11.210 3.528 -5.436 1.00 0.00 C ATOM 1546 O ASN A 97 -10.201 2.883 -5.153 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.606 5.382 -7.068 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.171 4.349 -8.089 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -11.961 3.503 -8.507 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -9.909 4.414 -8.496 1.00 0.00 N ATOM 0 H ASN A 97 -9.233 5.643 -6.284 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.796 5.521 -4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.693 5.464 -7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.210 6.357 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.559 3.745 -9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.289 5.133 -8.122 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.410 2.973 -5.571 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.614 1.540 -5.390 1.00 0.00 C ATOM 1559 C ASN A 98 -11.947 0.750 -6.512 1.00 0.00 C ATOM 1560 O ASN A 98 -12.450 0.703 -7.634 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.109 1.219 -5.343 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.921 2.112 -6.261 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.649 2.993 -5.803 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.800 1.888 -7.564 1.00 0.00 N ATOM 0 H ASN A 98 -13.256 3.493 -5.805 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.157 1.249 -4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.263 0.177 -5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.470 1.330 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -15.322 2.457 -8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -14.185 1.147 -7.899 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.814 0.129 -6.199 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.079 -0.659 -7.180 1.00 0.00 C ATOM 1573 C GLN A 99 -9.322 -1.799 -6.507 1.00 0.00 C ATOM 1574 O GLN A 99 -8.404 -1.568 -5.719 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.104 0.230 -7.953 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.784 1.337 -8.743 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.995 1.748 -9.970 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.851 2.192 -9.867 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -9.603 1.601 -11.142 1.00 0.00 N ATOM 0 H GLN A 99 -10.386 0.157 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.799 -1.088 -7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.399 0.676 -7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.525 -0.390 -8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.776 1.003 -9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.924 2.205 -8.098 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.552 1.229 -11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.121 1.860 -12.003 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.713 -3.029 -6.821 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.071 -4.206 -6.246 1.00 0.00 C ATOM 1590 C LEU A 100 -7.650 -4.366 -6.778 1.00 0.00 C ATOM 1591 O LEU A 100 -7.404 -4.216 -7.975 1.00 0.00 O ATOM 1592 CB LEU A 100 -9.889 -5.460 -6.557 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.187 -5.629 -5.766 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.017 -6.767 -6.339 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -10.886 -5.874 -4.294 1.00 0.00 C ATOM 0 H LEU A 100 -10.471 -3.237 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.021 -4.071 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.133 -5.456 -7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.261 -6.333 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.764 -4.708 -5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.937 -6.872 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.262 -6.551 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.448 -7.695 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.821 -5.992 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.288 -6.780 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.333 -5.026 -3.890 1.00 0.00 H new ATOM 1607 N PHE A 101 -6.720 -4.675 -5.881 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.323 -4.857 -6.260 1.00 0.00 C ATOM 1609 C PHE A 101 -4.774 -6.167 -5.701 1.00 0.00 C ATOM 1610 O PHE A 101 -5.450 -6.861 -4.941 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.479 -3.683 -5.761 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.456 -2.516 -6.707 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.512 -2.446 -7.718 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.380 -1.490 -6.585 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.488 -1.374 -8.590 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.361 -0.415 -7.454 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.415 -0.358 -8.458 1.00 0.00 C ATOM 0 H PHE A 101 -6.908 -4.805 -4.887 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.270 -4.896 -7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.866 -3.352 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.458 -4.025 -5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.786 -3.238 -7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.123 -1.531 -5.802 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.746 -1.331 -9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.085 0.379 -7.348 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.400 0.480 -9.139 1.00 0.00 H new ATOM 1627 N ARG A 102 -3.545 -6.497 -6.082 1.00 0.00 N ATOM 1628 CA ARG A 102 -2.905 -7.723 -5.620 1.00 0.00 C ATOM 1629 C ARG A 102 -1.385 -7.588 -5.652 1.00 0.00 C ATOM 1630 O ARG A 102 -0.850 -6.582 -6.118 1.00 0.00 O ATOM 1631 CB ARG A 102 -3.341 -8.907 -6.485 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.000 -8.745 -7.957 1.00 0.00 C ATOM 1633 CD ARG A 102 -3.478 -9.935 -8.774 1.00 0.00 C ATOM 1634 NE ARG A 102 -2.659 -11.122 -8.542 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.101 -12.363 -8.711 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -4.346 -12.579 -9.112 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -2.295 -13.392 -8.480 1.00 0.00 N ATOM 0 H ARG A 102 -2.972 -5.933 -6.709 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.215 -7.900 -4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.868 -9.814 -6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.418 -9.043 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.458 -7.833 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.922 -8.633 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.515 -10.155 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.455 -9.680 -9.834 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.696 -10.991 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.968 -11.791 -9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.682 -13.533 -9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.336 -13.230 -8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.635 -14.345 -8.610 1.00 0.00 H new ATOM 1651 N PHE A 103 -0.696 -8.608 -5.152 1.00 0.00 N ATOM 1652 CA PHE A 103 0.762 -8.604 -5.121 1.00 0.00 C ATOM 1653 C PHE A 103 1.332 -9.495 -6.221 1.00 0.00 C ATOM 1654 O PHE A 103 0.858 -10.605 -6.464 1.00 0.00 O ATOM 1655 CB PHE A 103 1.266 -9.074 -3.756 1.00 0.00 C ATOM 1656 CG PHE A 103 2.573 -8.453 -3.353 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.707 -7.076 -3.276 1.00 0.00 C ATOM 1658 CD2 PHE A 103 3.668 -9.247 -3.051 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.908 -6.502 -2.905 1.00 0.00 C ATOM 1660 CE2 PHE A 103 4.872 -8.678 -2.679 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.992 -7.304 -2.607 1.00 0.00 C ATOM 0 H PHE A 103 -1.124 -9.448 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 103 1.101 -7.582 -5.293 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.515 -8.842 -3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.378 -10.158 -3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.863 -6.444 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.580 -10.322 -3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.999 -5.427 -2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.718 -9.307 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.932 -6.858 -2.318 1.00 0.00 H new ATOM 1671 N PRO A 104 2.375 -8.998 -6.903 1.00 0.00 N ATOM 1672 CA PRO A 104 3.033 -9.732 -7.988 1.00 0.00 C ATOM 1673 C PRO A 104 3.814 -10.940 -7.481 1.00 0.00 C ATOM 1674 O PRO A 104 3.971 -11.127 -6.275 1.00 0.00 O ATOM 1675 CB PRO A 104 3.983 -8.696 -8.593 1.00 0.00 C ATOM 1676 CG PRO A 104 4.254 -7.738 -7.484 1.00 0.00 C ATOM 1677 CD PRO A 104 2.992 -7.682 -6.668 1.00 0.00 C ATOM 0 HA PRO A 104 2.314 -10.137 -8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.903 -9.161 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.529 -8.194 -9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.096 -8.071 -6.878 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.511 -6.753 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.204 -7.521 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.341 -6.870 -6.990 1.00 0.00 H new ATOM 1685 N ALA A 105 4.302 -11.755 -8.410 1.00 0.00 N ATOM 1686 CA ALA A 105 5.070 -12.943 -8.056 1.00 0.00 C ATOM 1687 C ALA A 105 6.451 -12.568 -7.530 1.00 0.00 C ATOM 1688 O ALA A 105 6.793 -12.872 -6.386 1.00 0.00 O ATOM 1689 CB ALA A 105 5.194 -13.868 -9.258 1.00 0.00 C ATOM 0 H ALA A 105 4.180 -11.615 -9.413 1.00 0.00 H new ATOM 0 HA ALA A 105 4.538 -13.466 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.770 -14.751 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.200 -14.172 -9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.701 -13.345 -10.069 1.00 0.00 H new TER 1695 ALA A 105