USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 85 THR OG1 : rot 180:sc= 0.0508 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= -0.0917 USER MOD Set 2.1: A 61 GLN : amide:sc= 0.886 K(o=2,f=0.57!) USER MOD Set 2.2: A 83 SER OG : rot -160:sc= 1.15 USER MOD Set 3.1: A 37 CYS SG : rot 4:sc= 0.785 USER MOD Set 3.2: A 51 HIS :FLIP no HD1:sc= 0.0732 F(o=-0.84,f=0.86) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.446! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 142:sc= -4.49 (180deg=-7.85!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00124 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -33:sc= -0.837 USER MOD Single : A 18 SER OG : rot -61:sc= 1.16 USER MOD Single : A 19 MET CE :methyl -133:sc= -1.25 (180deg=-3.01!) USER MOD Single : A 22 SER OG : rot 180:sc= 6.7e-06 USER MOD Single : A 24 MET CE :methyl 135:sc= -1.67 (180deg=-3.05!) USER MOD Single : A 25 MET CE :methyl -152:sc= -1.29 (180deg=-4.37!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= 0.349 F(o=-3.4,f=0.35) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -4.23! C(o=-4.2!,f=-7.2!) USER MOD Single : A 49 CYS SG : rot -179:sc= 1.28 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 64 MET CE :methyl -177:sc= -1.33 (180deg=-1.34) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0188) USER MOD Single : A 73 SER OG : rot -44:sc= 0.538 USER MOD Single : A 75 ASN : amide:sc= -1.7 K(o=-1.7,f=-13!) USER MOD Single : A 80 LYS NZ :NH3+ 154:sc= -0.105 (180deg=-0.565) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc=-0.000165 (180deg=-0.0704) USER MOD Single : A 91 ASN : amide:sc= -0.0841 K(o=-0.084,f=-1.5!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0685 K(o=-0.068,f=-0.95) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.353 24.347 -13.523 1.00 0.00 N ATOM 2 CA GLY A 1 7.424 23.745 -14.461 1.00 0.00 C ATOM 3 C GLY A 1 8.121 23.168 -15.677 1.00 0.00 C ATOM 4 O GLY A 1 8.789 23.888 -16.419 1.00 0.00 O ATOM 0 H1 GLY A 1 7.828 24.727 -12.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.029 23.628 -13.194 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.869 25.118 -13.992 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.865 22.956 -13.958 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.700 24.494 -14.782 1.00 0.00 H new ATOM 8 N SER A 2 7.966 21.864 -15.882 1.00 0.00 N ATOM 9 CA SER A 2 8.590 21.189 -17.014 1.00 0.00 C ATOM 10 C SER A 2 7.558 20.396 -17.810 1.00 0.00 C ATOM 11 O SER A 2 6.890 19.512 -17.274 1.00 0.00 O ATOM 12 CB SER A 2 9.703 20.257 -16.529 1.00 0.00 C ATOM 13 OG SER A 2 9.167 19.125 -15.866 1.00 0.00 O ATOM 0 H SER A 2 7.414 21.254 -15.279 1.00 0.00 H new ATOM 0 HA SER A 2 9.020 21.949 -17.666 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.306 19.934 -17.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.366 20.798 -15.854 1.00 0.00 H new ATOM 0 HG SER A 2 8.235 18.996 -16.140 1.00 0.00 H new ATOM 19 N SER A 3 7.434 20.719 -19.093 1.00 0.00 N ATOM 20 CA SER A 3 6.481 20.041 -19.964 1.00 0.00 C ATOM 21 C SER A 3 6.879 18.583 -20.173 1.00 0.00 C ATOM 22 O SER A 3 8.043 18.276 -20.425 1.00 0.00 O ATOM 23 CB SER A 3 6.391 20.756 -21.313 1.00 0.00 C ATOM 24 OG SER A 3 7.625 20.692 -22.007 1.00 0.00 O ATOM 0 H SER A 3 7.982 21.446 -19.553 1.00 0.00 H new ATOM 0 HA SER A 3 5.504 20.067 -19.482 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.606 20.301 -21.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.111 21.798 -21.158 1.00 0.00 H new ATOM 0 HG SER A 3 7.541 21.155 -22.867 1.00 0.00 H new ATOM 30 N GLY A 4 5.901 17.688 -20.068 1.00 0.00 N ATOM 31 CA GLY A 4 6.168 16.273 -20.248 1.00 0.00 C ATOM 32 C GLY A 4 4.916 15.427 -20.132 1.00 0.00 C ATOM 33 O GLY A 4 3.822 15.951 -19.922 1.00 0.00 O ATOM 0 H GLY A 4 4.929 17.918 -19.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.621 16.114 -21.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.894 15.946 -19.504 1.00 0.00 H new ATOM 37 N SER A 5 5.075 14.115 -20.270 1.00 0.00 N ATOM 38 CA SER A 5 3.947 13.194 -20.185 1.00 0.00 C ATOM 39 C SER A 5 4.061 12.308 -18.948 1.00 0.00 C ATOM 40 O SER A 5 5.130 12.194 -18.349 1.00 0.00 O ATOM 41 CB SER A 5 3.873 12.327 -21.443 1.00 0.00 C ATOM 42 OG SER A 5 3.531 13.103 -22.578 1.00 0.00 O ATOM 0 H SER A 5 5.974 13.665 -20.441 1.00 0.00 H new ATOM 0 HA SER A 5 3.034 13.784 -20.105 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.833 11.838 -21.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.134 11.538 -21.302 1.00 0.00 H new ATOM 0 HG SER A 5 3.492 12.526 -23.369 1.00 0.00 H new ATOM 48 N SER A 6 2.950 11.683 -18.571 1.00 0.00 N ATOM 49 CA SER A 6 2.923 10.810 -17.404 1.00 0.00 C ATOM 50 C SER A 6 3.211 9.365 -17.800 1.00 0.00 C ATOM 51 O SER A 6 2.873 8.931 -18.900 1.00 0.00 O ATOM 52 CB SER A 6 1.564 10.898 -16.707 1.00 0.00 C ATOM 53 OG SER A 6 0.575 10.180 -17.424 1.00 0.00 O ATOM 0 H SER A 6 2.057 11.765 -19.057 1.00 0.00 H new ATOM 0 HA SER A 6 3.700 11.141 -16.715 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.644 10.500 -15.695 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.265 11.942 -16.616 1.00 0.00 H new ATOM 0 HG SER A 6 -0.284 10.251 -16.957 1.00 0.00 H new ATOM 59 N GLY A 7 3.840 8.624 -16.892 1.00 0.00 N ATOM 60 CA GLY A 7 4.164 7.236 -17.164 1.00 0.00 C ATOM 61 C GLY A 7 2.929 6.372 -17.323 1.00 0.00 C ATOM 62 O GLY A 7 1.997 6.456 -16.523 1.00 0.00 O ATOM 0 H GLY A 7 4.131 8.960 -15.974 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.764 7.178 -18.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.776 6.843 -16.352 1.00 0.00 H new ATOM 66 N ARG A 8 2.920 5.540 -18.359 1.00 0.00 N ATOM 67 CA ARG A 8 1.788 4.659 -18.623 1.00 0.00 C ATOM 68 C ARG A 8 2.123 3.218 -18.251 1.00 0.00 C ATOM 69 O ARG A 8 1.327 2.529 -17.612 1.00 0.00 O ATOM 70 CB ARG A 8 1.386 4.737 -20.096 1.00 0.00 C ATOM 71 CG ARG A 8 0.183 3.877 -20.446 1.00 0.00 C ATOM 72 CD ARG A 8 -0.057 3.837 -21.947 1.00 0.00 C ATOM 73 NE ARG A 8 -0.640 5.082 -22.441 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.892 5.317 -23.724 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.614 4.397 -24.637 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.423 6.475 -24.095 1.00 0.00 N ATOM 0 H ARG A 8 3.684 5.457 -19.030 1.00 0.00 H new ATOM 0 HA ARG A 8 0.951 4.990 -18.008 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.166 5.774 -20.349 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.232 4.431 -20.711 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.338 2.864 -20.074 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.703 4.268 -19.945 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.886 3.650 -22.460 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.721 3.006 -22.186 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.866 5.811 -21.764 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.206 3.506 -24.355 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.809 4.580 -25.621 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.638 7.185 -23.395 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.616 6.655 -25.080 1.00 0.00 H new ATOM 90 N PHE A 9 3.306 2.767 -18.655 1.00 0.00 N ATOM 91 CA PHE A 9 3.746 1.407 -18.366 1.00 0.00 C ATOM 92 C PHE A 9 4.864 1.406 -17.329 1.00 0.00 C ATOM 93 O PHE A 9 4.925 0.531 -16.464 1.00 0.00 O ATOM 94 CB PHE A 9 4.223 0.720 -19.647 1.00 0.00 C ATOM 95 CG PHE A 9 3.342 0.986 -20.835 1.00 0.00 C ATOM 96 CD1 PHE A 9 2.137 0.319 -20.983 1.00 0.00 C ATOM 97 CD2 PHE A 9 3.720 1.903 -21.802 1.00 0.00 C ATOM 98 CE1 PHE A 9 1.323 0.562 -22.074 1.00 0.00 C ATOM 99 CE2 PHE A 9 2.911 2.150 -22.895 1.00 0.00 C ATOM 100 CZ PHE A 9 1.712 1.478 -23.032 1.00 0.00 C ATOM 0 H PHE A 9 3.977 3.324 -19.184 1.00 0.00 H new ATOM 0 HA PHE A 9 2.898 0.856 -17.960 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.235 1.054 -19.874 1.00 0.00 H new ATOM 0 HB3 PHE A 9 4.273 -0.355 -19.476 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.830 -0.399 -20.237 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.657 2.431 -21.701 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.385 0.037 -22.177 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.216 2.868 -23.642 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.080 1.668 -23.887 1.00 0.00 H new ATOM 110 N THR A 10 5.750 2.394 -17.420 1.00 0.00 N ATOM 111 CA THR A 10 6.867 2.507 -16.492 1.00 0.00 C ATOM 112 C THR A 10 6.562 3.509 -15.384 1.00 0.00 C ATOM 113 O THR A 10 6.100 4.619 -15.648 1.00 0.00 O ATOM 114 CB THR A 10 8.158 2.937 -17.216 1.00 0.00 C ATOM 115 OG1 THR A 10 8.145 2.458 -18.565 1.00 0.00 O ATOM 116 CG2 THR A 10 9.386 2.404 -16.494 1.00 0.00 C ATOM 0 H THR A 10 5.714 3.127 -18.128 1.00 0.00 H new ATOM 0 HA THR A 10 7.016 1.520 -16.055 1.00 0.00 H new ATOM 0 HB THR A 10 8.202 4.026 -17.218 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.968 2.737 -19.019 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.285 2.720 -17.023 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.408 2.794 -15.476 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.347 1.315 -16.464 1.00 0.00 H new ATOM 124 N TRP A 11 6.824 3.110 -14.144 1.00 0.00 N ATOM 125 CA TRP A 11 6.577 3.974 -12.996 1.00 0.00 C ATOM 126 C TRP A 11 7.671 5.029 -12.863 1.00 0.00 C ATOM 127 O TRP A 11 8.784 4.730 -12.432 1.00 0.00 O ATOM 128 CB TRP A 11 6.495 3.143 -11.714 1.00 0.00 C ATOM 129 CG TRP A 11 5.698 1.884 -11.874 1.00 0.00 C ATOM 130 CD1 TRP A 11 6.101 0.731 -12.485 1.00 0.00 C ATOM 131 CD2 TRP A 11 4.361 1.652 -11.417 1.00 0.00 C ATOM 132 NE1 TRP A 11 5.095 -0.204 -12.435 1.00 0.00 N ATOM 133 CE2 TRP A 11 4.017 0.336 -11.784 1.00 0.00 C ATOM 134 CE3 TRP A 11 3.422 2.427 -10.731 1.00 0.00 C ATOM 135 CZ2 TRP A 11 2.774 -0.218 -11.489 1.00 0.00 C ATOM 136 CZ3 TRP A 11 2.189 1.875 -10.439 1.00 0.00 C ATOM 137 CH2 TRP A 11 1.874 0.563 -10.817 1.00 0.00 C ATOM 0 H TRP A 11 7.207 2.194 -13.909 1.00 0.00 H new ATOM 0 HA TRP A 11 5.625 4.482 -13.153 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.504 2.887 -11.390 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.050 3.749 -10.924 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.068 0.577 -12.940 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.143 -1.147 -12.820 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.656 3.439 -10.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.529 -1.229 -11.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.455 2.465 -9.910 1.00 0.00 H new ATOM 0 HH2 TRP A 11 0.902 0.161 -10.573 1.00 0.00 H new ATOM 148 N SER A 12 7.346 6.262 -13.236 1.00 0.00 N ATOM 149 CA SER A 12 8.303 7.360 -13.161 1.00 0.00 C ATOM 150 C SER A 12 8.212 8.070 -11.814 1.00 0.00 C ATOM 151 O SER A 12 7.122 8.393 -11.343 1.00 0.00 O ATOM 152 CB SER A 12 8.056 8.358 -14.294 1.00 0.00 C ATOM 153 OG SER A 12 8.618 7.898 -15.511 1.00 0.00 O ATOM 0 H SER A 12 6.428 6.526 -13.593 1.00 0.00 H new ATOM 0 HA SER A 12 9.305 6.943 -13.265 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.984 8.512 -14.420 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.488 9.324 -14.033 1.00 0.00 H new ATOM 0 HG SER A 12 8.445 8.553 -16.219 1.00 0.00 H new ATOM 159 N MET A 13 9.365 8.308 -11.198 1.00 0.00 N ATOM 160 CA MET A 13 9.416 8.981 -9.905 1.00 0.00 C ATOM 161 C MET A 13 10.856 9.300 -9.515 1.00 0.00 C ATOM 162 O MET A 13 11.792 8.635 -9.958 1.00 0.00 O ATOM 163 CB MET A 13 8.764 8.112 -8.828 1.00 0.00 C ATOM 164 CG MET A 13 8.443 8.868 -7.549 1.00 0.00 C ATOM 165 SD MET A 13 7.753 7.803 -6.268 1.00 0.00 S ATOM 166 CE MET A 13 9.181 6.804 -5.853 1.00 0.00 C ATOM 0 H MET A 13 10.276 8.045 -11.573 1.00 0.00 H new ATOM 0 HA MET A 13 8.865 9.918 -9.989 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.845 7.682 -9.227 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.428 7.281 -8.592 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.351 9.341 -7.173 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.736 9.667 -7.772 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.198 6.623 -4.778 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.125 5.852 -6.381 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.090 7.329 -6.147 1.00 0.00 H new ATOM 176 N LYS A 14 11.026 10.322 -8.683 1.00 0.00 N ATOM 177 CA LYS A 14 12.352 10.729 -8.232 1.00 0.00 C ATOM 178 C LYS A 14 12.630 10.213 -6.824 1.00 0.00 C ATOM 179 O LYS A 14 13.764 9.871 -6.490 1.00 0.00 O ATOM 180 CB LYS A 14 12.476 12.254 -8.261 1.00 0.00 C ATOM 181 CG LYS A 14 13.913 12.747 -8.302 1.00 0.00 C ATOM 182 CD LYS A 14 13.981 14.255 -8.473 1.00 0.00 C ATOM 183 CE LYS A 14 13.815 14.975 -7.143 1.00 0.00 C ATOM 184 NZ LYS A 14 14.286 16.386 -7.214 1.00 0.00 N ATOM 0 H LYS A 14 10.262 10.884 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 14 13.088 10.297 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.944 12.637 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.984 12.667 -7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.423 12.461 -7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.441 12.263 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.937 14.529 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.202 14.579 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.766 14.957 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.372 14.445 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.156 16.842 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.294 16.403 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.737 16.899 -7.933 1.00 0.00 H new ATOM 198 N THR A 15 11.586 10.157 -6.002 1.00 0.00 N ATOM 199 CA THR A 15 11.718 9.682 -4.631 1.00 0.00 C ATOM 200 C THR A 15 12.448 8.345 -4.580 1.00 0.00 C ATOM 201 O THR A 15 12.240 7.479 -5.430 1.00 0.00 O ATOM 202 CB THR A 15 10.343 9.529 -3.954 1.00 0.00 C ATOM 203 OG1 THR A 15 9.543 10.691 -4.203 1.00 0.00 O ATOM 204 CG2 THR A 15 10.497 9.324 -2.455 1.00 0.00 C ATOM 0 H THR A 15 10.640 10.435 -6.263 1.00 0.00 H new ATOM 0 HA THR A 15 12.299 10.431 -4.092 1.00 0.00 H new ATOM 0 HB THR A 15 9.851 8.652 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.670 10.586 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.513 9.219 -1.999 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.081 8.423 -2.269 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.008 10.184 -2.021 1.00 0.00 H new ATOM 212 N THR A 16 13.305 8.181 -3.577 1.00 0.00 N ATOM 213 CA THR A 16 14.067 6.949 -3.416 1.00 0.00 C ATOM 214 C THR A 16 14.546 6.783 -1.978 1.00 0.00 C ATOM 215 O THR A 16 14.444 7.705 -1.169 1.00 0.00 O ATOM 216 CB THR A 16 15.285 6.914 -4.358 1.00 0.00 C ATOM 217 OG1 THR A 16 16.087 8.084 -4.165 1.00 0.00 O ATOM 218 CG2 THR A 16 14.843 6.830 -5.811 1.00 0.00 C ATOM 0 H THR A 16 13.489 8.887 -2.864 1.00 0.00 H new ATOM 0 HA THR A 16 13.397 6.128 -3.670 1.00 0.00 H new ATOM 0 HB THR A 16 15.874 6.028 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.860 8.053 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.720 6.807 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.257 5.923 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.234 7.700 -6.057 1.00 0.00 H new ATOM 226 N SER A 17 15.070 5.602 -1.667 1.00 0.00 N ATOM 227 CA SER A 17 15.562 5.314 -0.324 1.00 0.00 C ATOM 228 C SER A 17 16.971 4.731 -0.376 1.00 0.00 C ATOM 229 O SER A 17 17.787 4.971 0.513 1.00 0.00 O ATOM 230 CB SER A 17 14.621 4.342 0.389 1.00 0.00 C ATOM 231 OG SER A 17 14.841 4.354 1.789 1.00 0.00 O ATOM 0 H SER A 17 15.165 4.829 -2.326 1.00 0.00 H new ATOM 0 HA SER A 17 15.595 6.250 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.586 4.612 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.773 3.334 0.002 1.00 0.00 H new ATOM 0 HG SER A 17 15.789 4.522 1.970 1.00 0.00 H new ATOM 237 N SER A 18 17.248 3.962 -1.424 1.00 0.00 N ATOM 238 CA SER A 18 18.556 3.339 -1.591 1.00 0.00 C ATOM 239 C SER A 18 18.848 2.372 -0.448 1.00 0.00 C ATOM 240 O SER A 18 19.939 2.377 0.120 1.00 0.00 O ATOM 241 CB SER A 18 19.648 4.409 -1.661 1.00 0.00 C ATOM 242 OG SER A 18 20.937 3.821 -1.676 1.00 0.00 O ATOM 0 H SER A 18 16.584 3.755 -2.170 1.00 0.00 H new ATOM 0 HA SER A 18 18.547 2.777 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 18 19.511 5.015 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.560 5.079 -0.806 1.00 0.00 H new ATOM 0 HG SER A 18 21.075 3.315 -0.848 1.00 0.00 H new ATOM 248 N MET A 19 17.863 1.544 -0.117 1.00 0.00 N ATOM 249 CA MET A 19 18.014 0.570 0.958 1.00 0.00 C ATOM 250 C MET A 19 16.972 -0.538 0.838 1.00 0.00 C ATOM 251 O MET A 19 16.037 -0.440 0.043 1.00 0.00 O ATOM 252 CB MET A 19 17.890 1.257 2.319 1.00 0.00 C ATOM 253 CG MET A 19 16.579 2.004 2.506 1.00 0.00 C ATOM 254 SD MET A 19 16.612 3.122 3.920 1.00 0.00 S ATOM 255 CE MET A 19 15.199 2.533 4.850 1.00 0.00 C ATOM 0 H MET A 19 16.953 1.528 -0.577 1.00 0.00 H new ATOM 0 HA MET A 19 19.005 0.124 0.873 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.987 0.508 3.105 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.717 1.956 2.441 1.00 0.00 H new ATOM 0 HG2 MET A 19 16.358 2.573 1.603 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.771 1.284 2.636 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.588 3.381 5.159 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.605 1.866 4.226 1.00 0.00 H new ATOM 0 HE3 MET A 19 15.543 1.994 5.732 1.00 0.00 H new ATOM 265 N ASP A 20 17.140 -1.590 1.631 1.00 0.00 N ATOM 266 CA ASP A 20 16.213 -2.716 1.614 1.00 0.00 C ATOM 267 C ASP A 20 14.768 -2.231 1.667 1.00 0.00 C ATOM 268 O ASP A 20 14.442 -1.245 2.327 1.00 0.00 O ATOM 269 CB ASP A 20 16.493 -3.653 2.790 1.00 0.00 C ATOM 270 CG ASP A 20 17.662 -4.581 2.525 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.800 -4.082 2.401 1.00 0.00 O ATOM 272 OD2 ASP A 20 17.439 -5.807 2.440 1.00 0.00 O ATOM 0 H ASP A 20 17.909 -1.687 2.294 1.00 0.00 H new ATOM 0 HA ASP A 20 16.360 -3.262 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.698 -3.061 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.602 -4.246 2.999 1.00 0.00 H new ATOM 277 N PRO A 21 13.879 -2.940 0.954 1.00 0.00 N ATOM 278 CA PRO A 21 12.454 -2.600 0.904 1.00 0.00 C ATOM 279 C PRO A 21 11.748 -2.863 2.229 1.00 0.00 C ATOM 280 O PRO A 21 10.867 -2.104 2.635 1.00 0.00 O ATOM 281 CB PRO A 21 11.907 -3.526 -0.186 1.00 0.00 C ATOM 282 CG PRO A 21 12.844 -4.684 -0.204 1.00 0.00 C ATOM 283 CD PRO A 21 14.197 -4.128 0.144 1.00 0.00 C ATOM 0 HA PRO A 21 12.295 -1.541 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.889 -3.844 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.878 -3.025 -1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.538 -5.445 0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.858 -5.159 -1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.795 -4.847 0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.765 -3.866 -0.748 1.00 0.00 H new ATOM 291 N SER A 22 12.140 -3.941 2.901 1.00 0.00 N ATOM 292 CA SER A 22 11.542 -4.305 4.180 1.00 0.00 C ATOM 293 C SER A 22 11.542 -3.117 5.137 1.00 0.00 C ATOM 294 O SER A 22 10.721 -3.042 6.051 1.00 0.00 O ATOM 295 CB SER A 22 12.298 -5.478 4.805 1.00 0.00 C ATOM 296 OG SER A 22 12.501 -6.516 3.861 1.00 0.00 O ATOM 0 H SER A 22 12.870 -4.578 2.581 1.00 0.00 H new ATOM 0 HA SER A 22 10.509 -4.603 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.260 -5.134 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.738 -5.862 5.658 1.00 0.00 H new ATOM 0 HG SER A 22 12.988 -7.253 4.285 1.00 0.00 H new ATOM 302 N ASP A 23 12.469 -2.191 4.920 1.00 0.00 N ATOM 303 CA ASP A 23 12.577 -1.005 5.762 1.00 0.00 C ATOM 304 C ASP A 23 11.563 0.054 5.341 1.00 0.00 C ATOM 305 O ASP A 23 10.862 0.623 6.178 1.00 0.00 O ATOM 306 CB ASP A 23 13.992 -0.430 5.691 1.00 0.00 C ATOM 307 CG ASP A 23 14.990 -1.248 6.487 1.00 0.00 C ATOM 308 OD1 ASP A 23 15.007 -1.118 7.728 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.755 -2.018 5.868 1.00 0.00 O ATOM 0 H ASP A 23 13.157 -2.238 4.168 1.00 0.00 H new ATOM 0 HA ASP A 23 12.364 -1.299 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.311 -0.386 4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.984 0.594 6.066 1.00 0.00 H new ATOM 314 N MET A 24 11.492 0.315 4.040 1.00 0.00 N ATOM 315 CA MET A 24 10.563 1.306 3.509 1.00 0.00 C ATOM 316 C MET A 24 9.158 1.083 4.057 1.00 0.00 C ATOM 317 O MET A 24 8.517 2.014 4.544 1.00 0.00 O ATOM 318 CB MET A 24 10.542 1.248 1.980 1.00 0.00 C ATOM 319 CG MET A 24 11.607 2.111 1.324 1.00 0.00 C ATOM 320 SD MET A 24 12.042 1.541 -0.330 1.00 0.00 S ATOM 321 CE MET A 24 11.236 2.782 -1.339 1.00 0.00 C ATOM 0 H MET A 24 12.066 -0.146 3.334 1.00 0.00 H new ATOM 0 HA MET A 24 10.904 2.292 3.824 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.677 0.214 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.561 1.565 1.626 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.251 3.140 1.268 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.500 2.116 1.949 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.916 3.109 -2.126 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.338 2.358 -1.789 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.963 3.635 -0.718 1.00 0.00 H new ATOM 331 N MET A 25 8.685 -0.157 3.975 1.00 0.00 N ATOM 332 CA MET A 25 7.355 -0.501 4.464 1.00 0.00 C ATOM 333 C MET A 25 7.104 0.116 5.836 1.00 0.00 C ATOM 334 O MET A 25 6.004 0.590 6.123 1.00 0.00 O ATOM 335 CB MET A 25 7.193 -2.020 4.538 1.00 0.00 C ATOM 336 CG MET A 25 6.897 -2.666 3.194 1.00 0.00 C ATOM 337 SD MET A 25 5.390 -2.033 2.435 1.00 0.00 S ATOM 338 CE MET A 25 4.252 -3.375 2.770 1.00 0.00 C ATOM 0 H MET A 25 9.203 -0.939 3.575 1.00 0.00 H new ATOM 0 HA MET A 25 6.622 -0.098 3.765 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.105 -2.455 4.948 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.387 -2.258 5.232 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.737 -2.496 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.807 -3.744 3.326 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.482 -3.400 1.999 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.795 -4.320 2.772 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.786 -3.222 3.743 1.00 0.00 H new ATOM 348 N ARG A 26 8.130 0.108 6.681 1.00 0.00 N ATOM 349 CA ARG A 26 8.020 0.665 8.023 1.00 0.00 C ATOM 350 C ARG A 26 7.769 2.169 7.968 1.00 0.00 C ATOM 351 O ARG A 26 6.721 2.649 8.400 1.00 0.00 O ATOM 352 CB ARG A 26 9.291 0.379 8.824 1.00 0.00 C ATOM 353 CG ARG A 26 9.076 0.377 10.328 1.00 0.00 C ATOM 354 CD ARG A 26 10.230 -0.298 11.055 1.00 0.00 C ATOM 355 NE ARG A 26 9.805 -0.897 12.317 1.00 0.00 N ATOM 356 CZ ARG A 26 10.500 -1.832 12.957 1.00 0.00 C ATOM 357 NH1 ARG A 26 11.646 -2.271 12.455 1.00 0.00 N ATOM 358 NH2 ARG A 26 10.048 -2.329 14.101 1.00 0.00 N ATOM 0 H ARG A 26 9.047 -0.279 6.459 1.00 0.00 H new ATOM 0 HA ARG A 26 7.173 0.190 8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.691 -0.589 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.044 1.127 8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.971 1.402 10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.145 -0.139 10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.661 -1.068 10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.015 0.433 11.247 1.00 0.00 H new ATOM 0 HE ARG A 26 8.927 -0.581 12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.996 -1.891 11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.177 -2.989 12.948 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.167 -1.994 14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.582 -3.046 14.592 1.00 0.00 H new ATOM 372 N GLU A 27 8.738 2.907 7.435 1.00 0.00 N ATOM 373 CA GLU A 27 8.622 4.356 7.326 1.00 0.00 C ATOM 374 C GLU A 27 7.304 4.748 6.663 1.00 0.00 C ATOM 375 O GLU A 27 6.577 5.606 7.164 1.00 0.00 O ATOM 376 CB GLU A 27 9.796 4.926 6.526 1.00 0.00 C ATOM 377 CG GLU A 27 9.756 6.437 6.380 1.00 0.00 C ATOM 378 CD GLU A 27 9.482 7.144 7.693 1.00 0.00 C ATOM 379 OE1 GLU A 27 10.215 6.884 8.670 1.00 0.00 O ATOM 380 OE2 GLU A 27 8.535 7.956 7.744 1.00 0.00 O ATOM 0 H GLU A 27 9.611 2.525 7.072 1.00 0.00 H new ATOM 0 HA GLU A 27 8.641 4.773 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.729 4.641 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.803 4.474 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.707 6.784 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.985 6.708 5.658 1.00 0.00 H new ATOM 387 N ILE A 28 7.004 4.113 5.535 1.00 0.00 N ATOM 388 CA ILE A 28 5.774 4.394 4.805 1.00 0.00 C ATOM 389 C ILE A 28 4.580 4.475 5.749 1.00 0.00 C ATOM 390 O ILE A 28 3.893 5.495 5.812 1.00 0.00 O ATOM 391 CB ILE A 28 5.497 3.321 3.735 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.604 3.324 2.679 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.140 3.556 3.089 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.696 2.033 1.897 1.00 0.00 C ATOM 0 H ILE A 28 7.596 3.401 5.107 1.00 0.00 H new ATOM 0 HA ILE A 28 5.912 5.358 4.315 1.00 0.00 H new ATOM 0 HB ILE A 28 5.484 2.343 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.432 4.148 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.560 3.513 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.958 2.790 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.361 3.508 3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.127 4.539 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.502 2.107 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.899 1.208 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.753 1.853 1.380 1.00 0.00 H new ATOM 406 N ARG A 29 4.339 3.394 6.484 1.00 0.00 N ATOM 407 CA ARG A 29 3.228 3.343 7.426 1.00 0.00 C ATOM 408 C ARG A 29 3.369 4.425 8.493 1.00 0.00 C ATOM 409 O ARG A 29 2.427 5.169 8.767 1.00 0.00 O ATOM 410 CB ARG A 29 3.155 1.965 8.088 1.00 0.00 C ATOM 411 CG ARG A 29 2.939 0.827 7.104 1.00 0.00 C ATOM 412 CD ARG A 29 2.825 -0.511 7.817 1.00 0.00 C ATOM 413 NE ARG A 29 4.134 -1.075 8.135 1.00 0.00 N ATOM 414 CZ ARG A 29 4.303 -2.229 8.771 1.00 0.00 C ATOM 415 NH1 ARG A 29 3.250 -2.938 9.155 1.00 0.00 N ATOM 416 NH2 ARG A 29 5.526 -2.675 9.024 1.00 0.00 N ATOM 0 H ARG A 29 4.898 2.542 6.445 1.00 0.00 H new ATOM 0 HA ARG A 29 2.307 3.522 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.078 1.787 8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.344 1.964 8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.033 1.011 6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.767 0.794 6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.252 -0.385 8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.272 -1.210 7.190 1.00 0.00 H new ATOM 0 HE ARG A 29 4.964 -0.554 7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.308 -2.597 8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.382 -3.824 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.338 -2.132 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.655 -3.561 9.512 1.00 0.00 H new ATOM 430 N LYS A 30 4.552 4.506 9.092 1.00 0.00 N ATOM 431 CA LYS A 30 4.819 5.497 10.128 1.00 0.00 C ATOM 432 C LYS A 30 4.222 6.850 9.753 1.00 0.00 C ATOM 433 O LYS A 30 3.488 7.454 10.535 1.00 0.00 O ATOM 434 CB LYS A 30 6.326 5.636 10.353 1.00 0.00 C ATOM 435 CG LYS A 30 6.686 6.255 11.693 1.00 0.00 C ATOM 436 CD LYS A 30 8.114 6.774 11.702 1.00 0.00 C ATOM 437 CE LYS A 30 8.717 6.723 13.098 1.00 0.00 C ATOM 438 NZ LYS A 30 8.462 7.978 13.858 1.00 0.00 N ATOM 0 H LYS A 30 5.342 3.897 8.878 1.00 0.00 H new ATOM 0 HA LYS A 30 4.350 5.157 11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.788 4.651 10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.749 6.246 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.999 7.072 11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.562 5.513 12.482 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.722 6.180 11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.132 7.800 11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.299 5.877 13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.791 6.555 13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.888 7.904 14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.882 8.783 13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.437 8.125 13.951 1.00 0.00 H new ATOM 452 N VAL A 31 4.542 7.320 8.552 1.00 0.00 N ATOM 453 CA VAL A 31 4.036 8.601 8.072 1.00 0.00 C ATOM 454 C VAL A 31 2.520 8.568 7.913 1.00 0.00 C ATOM 455 O VAL A 31 1.805 9.384 8.496 1.00 0.00 O ATOM 456 CB VAL A 31 4.674 8.988 6.725 1.00 0.00 C ATOM 457 CG1 VAL A 31 3.965 10.192 6.124 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.159 9.267 6.900 1.00 0.00 C ATOM 0 H VAL A 31 5.149 6.833 7.893 1.00 0.00 H new ATOM 0 HA VAL A 31 4.304 9.347 8.820 1.00 0.00 H new ATOM 0 HB VAL A 31 4.563 8.150 6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.430 10.451 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.914 9.952 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.042 11.038 6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.594 9.539 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.294 10.088 7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.654 8.375 7.283 1.00 0.00 H new ATOM 468 N LEU A 32 2.034 7.619 7.120 1.00 0.00 N ATOM 469 CA LEU A 32 0.602 7.478 6.883 1.00 0.00 C ATOM 470 C LEU A 32 -0.178 7.578 8.190 1.00 0.00 C ATOM 471 O LEU A 32 -1.052 8.431 8.340 1.00 0.00 O ATOM 472 CB LEU A 32 0.307 6.141 6.200 1.00 0.00 C ATOM 473 CG LEU A 32 0.890 5.961 4.798 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.176 4.492 4.525 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.058 6.526 3.750 1.00 0.00 C ATOM 0 H LEU A 32 2.611 6.936 6.630 1.00 0.00 H new ATOM 0 HA LEU A 32 0.285 8.290 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.686 5.340 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.774 6.017 6.141 1.00 0.00 H new ATOM 0 HG LEU A 32 1.830 6.510 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.590 4.382 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.892 4.119 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.250 3.921 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.373 6.389 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.014 6.005 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.213 7.589 3.935 1.00 0.00 H new ATOM 487 N GLY A 33 0.146 6.700 9.135 1.00 0.00 N ATOM 488 CA GLY A 33 -0.532 6.707 10.418 1.00 0.00 C ATOM 489 C GLY A 33 -0.569 8.086 11.047 1.00 0.00 C ATOM 490 O GLY A 33 -1.539 8.447 11.712 1.00 0.00 O ATOM 0 H GLY A 33 0.866 5.984 9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.551 6.343 10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.030 6.016 11.095 1.00 0.00 H new ATOM 494 N ALA A 34 0.492 8.859 10.837 1.00 0.00 N ATOM 495 CA ALA A 34 0.578 10.205 11.388 1.00 0.00 C ATOM 496 C ALA A 34 -0.373 11.155 10.667 1.00 0.00 C ATOM 497 O ALA A 34 -0.957 12.048 11.280 1.00 0.00 O ATOM 498 CB ALA A 34 2.007 10.721 11.303 1.00 0.00 C ATOM 0 H ALA A 34 1.304 8.575 10.289 1.00 0.00 H new ATOM 0 HA ALA A 34 0.281 10.161 12.436 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.056 11.728 11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.666 10.063 11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.325 10.743 10.260 1.00 0.00 H new ATOM 504 N ASN A 35 -0.523 10.956 9.361 1.00 0.00 N ATOM 505 CA ASN A 35 -1.403 11.796 8.556 1.00 0.00 C ATOM 506 C ASN A 35 -2.832 11.263 8.576 1.00 0.00 C ATOM 507 O ASN A 35 -3.561 11.374 7.591 1.00 0.00 O ATOM 508 CB ASN A 35 -0.894 11.869 7.115 1.00 0.00 C ATOM 509 CG ASN A 35 0.519 12.412 7.028 1.00 0.00 C ATOM 510 OD1 ASN A 35 1.371 11.726 6.275 1.00 0.00 O flip ATOM 511 ND2 ASN A 35 0.841 13.436 7.631 1.00 0.00 N flip ATOM 0 H ASN A 35 -0.047 10.221 8.838 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.402 12.798 8.986 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.926 10.874 6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.560 12.502 6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.153 13.931 8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.796 13.789 7.563 1.00 0.00 H new ATOM 518 N ASN A 36 -3.226 10.683 9.706 1.00 0.00 N ATOM 519 CA ASN A 36 -4.569 10.133 9.854 1.00 0.00 C ATOM 520 C ASN A 36 -4.988 9.375 8.598 1.00 0.00 C ATOM 521 O ASN A 36 -6.147 9.429 8.187 1.00 0.00 O ATOM 522 CB ASN A 36 -5.571 11.251 10.148 1.00 0.00 C ATOM 523 CG ASN A 36 -5.187 12.067 11.367 1.00 0.00 C ATOM 524 OD1 ASN A 36 -4.764 11.520 12.386 1.00 0.00 O ATOM 525 ND2 ASN A 36 -5.333 13.383 11.268 1.00 0.00 N ATOM 0 H ASN A 36 -2.635 10.582 10.531 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.559 9.435 10.691 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.642 11.909 9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.560 10.818 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.091 13.984 12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.687 13.793 10.404 1.00 0.00 H new ATOM 532 N CYS A 37 -4.038 8.669 7.995 1.00 0.00 N ATOM 533 CA CYS A 37 -4.308 7.900 6.786 1.00 0.00 C ATOM 534 C CYS A 37 -4.656 6.455 7.127 1.00 0.00 C ATOM 535 O CYS A 37 -4.332 5.967 8.209 1.00 0.00 O ATOM 536 CB CYS A 37 -3.098 7.939 5.851 1.00 0.00 C ATOM 537 SG CYS A 37 -3.019 9.414 4.808 1.00 0.00 S ATOM 0 H CYS A 37 -3.074 8.613 8.324 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.163 8.351 6.282 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.188 7.880 6.449 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.117 7.056 5.212 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.996 10.215 5.115 1.00 0.00 H new ATOM 543 N ASP A 38 -5.320 5.777 6.197 1.00 0.00 N ATOM 544 CA ASP A 38 -5.713 4.387 6.399 1.00 0.00 C ATOM 545 C ASP A 38 -4.962 3.465 5.443 1.00 0.00 C ATOM 546 O ASP A 38 -5.157 3.522 4.229 1.00 0.00 O ATOM 547 CB ASP A 38 -7.221 4.228 6.203 1.00 0.00 C ATOM 548 CG ASP A 38 -8.022 4.877 7.314 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.600 5.946 7.803 1.00 0.00 O ATOM 550 OD2 ASP A 38 -9.070 4.315 7.697 1.00 0.00 O ATOM 0 H ASP A 38 -5.597 6.167 5.296 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.456 4.107 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.508 4.667 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.468 3.168 6.153 1.00 0.00 H new ATOM 555 N TYR A 39 -4.104 2.617 5.999 1.00 0.00 N ATOM 556 CA TYR A 39 -3.322 1.686 5.195 1.00 0.00 C ATOM 557 C TYR A 39 -3.720 0.243 5.491 1.00 0.00 C ATOM 558 O TYR A 39 -3.977 -0.118 6.639 1.00 0.00 O ATOM 559 CB TYR A 39 -1.828 1.879 5.463 1.00 0.00 C ATOM 560 CG TYR A 39 -1.437 1.651 6.906 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.580 2.659 7.851 1.00 0.00 C ATOM 562 CD2 TYR A 39 -0.923 0.430 7.323 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.224 2.456 9.171 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.565 0.218 8.640 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.717 1.234 9.560 1.00 0.00 C ATOM 566 OH TYR A 39 -0.361 1.027 10.873 1.00 0.00 O ATOM 0 H TYR A 39 -3.933 2.555 7.003 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.526 1.892 4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.263 1.195 4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.543 2.891 5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.976 3.617 7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.801 -0.368 6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.342 3.250 9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.168 -0.738 8.948 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.023 0.113 10.980 1.00 0.00 H new ATOM 576 N GLU A 40 -3.769 -0.577 4.446 1.00 0.00 N ATOM 577 CA GLU A 40 -4.136 -1.980 4.593 1.00 0.00 C ATOM 578 C GLU A 40 -3.220 -2.873 3.761 1.00 0.00 C ATOM 579 O GLU A 40 -2.656 -2.436 2.758 1.00 0.00 O ATOM 580 CB GLU A 40 -5.592 -2.196 4.175 1.00 0.00 C ATOM 581 CG GLU A 40 -6.566 -1.244 4.850 1.00 0.00 C ATOM 582 CD GLU A 40 -6.820 -1.602 6.302 1.00 0.00 C ATOM 583 OE1 GLU A 40 -6.595 -2.772 6.673 1.00 0.00 O ATOM 584 OE2 GLU A 40 -7.244 -0.710 7.066 1.00 0.00 O ATOM 0 H GLU A 40 -3.559 -0.294 3.489 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.022 -2.250 5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.672 -2.079 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.880 -3.222 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.174 -0.228 4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.511 -1.252 4.307 1.00 0.00 H new ATOM 591 N GLN A 41 -3.077 -4.124 4.185 1.00 0.00 N ATOM 592 CA GLN A 41 -2.229 -5.078 3.480 1.00 0.00 C ATOM 593 C GLN A 41 -2.868 -5.506 2.164 1.00 0.00 C ATOM 594 O GLN A 41 -3.914 -6.156 2.153 1.00 0.00 O ATOM 595 CB GLN A 41 -1.966 -6.304 4.356 1.00 0.00 C ATOM 596 CG GLN A 41 -0.653 -7.004 4.045 1.00 0.00 C ATOM 597 CD GLN A 41 -0.586 -7.509 2.617 1.00 0.00 C ATOM 598 OE1 GLN A 41 -1.613 -7.740 1.979 1.00 0.00 O ATOM 599 NE2 GLN A 41 0.628 -7.683 2.108 1.00 0.00 N ATOM 0 H GLN A 41 -3.537 -4.501 5.013 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.281 -4.588 3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.967 -5.999 5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.785 -7.013 4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.173 -6.315 4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.521 -7.842 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.452 -7.479 2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.736 -8.021 1.152 1.00 0.00 H new ATOM 608 N ARG A 42 -2.234 -5.137 1.056 1.00 0.00 N ATOM 609 CA ARG A 42 -2.742 -5.482 -0.266 1.00 0.00 C ATOM 610 C ARG A 42 -1.952 -6.641 -0.867 1.00 0.00 C ATOM 611 O ARG A 42 -2.453 -7.761 -0.963 1.00 0.00 O ATOM 612 CB ARG A 42 -2.672 -4.268 -1.195 1.00 0.00 C ATOM 613 CG ARG A 42 -3.855 -3.324 -1.053 1.00 0.00 C ATOM 614 CD ARG A 42 -5.033 -3.774 -1.902 1.00 0.00 C ATOM 615 NE ARG A 42 -5.815 -4.818 -1.245 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.771 -4.571 -0.357 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.062 -3.321 -0.022 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.438 -5.574 0.198 1.00 0.00 N ATOM 0 H ARG A 42 -1.367 -4.599 1.048 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.782 -5.790 -0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.753 -3.718 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.616 -4.614 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.158 -3.273 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.556 -2.318 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.675 -2.919 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.669 -4.143 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.616 -5.790 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.551 -2.547 -0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.797 -3.134 0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.217 -6.537 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.172 -5.383 0.880 1.00 0.00 H new ATOM 632 N GLU A 43 -0.716 -6.363 -1.270 1.00 0.00 N ATOM 633 CA GLU A 43 0.141 -7.383 -1.862 1.00 0.00 C ATOM 634 C GLU A 43 1.437 -7.532 -1.069 1.00 0.00 C ATOM 635 O GLU A 43 1.619 -6.895 -0.032 1.00 0.00 O ATOM 636 CB GLU A 43 0.458 -7.032 -3.317 1.00 0.00 C ATOM 637 CG GLU A 43 -0.744 -6.530 -4.098 1.00 0.00 C ATOM 638 CD GLU A 43 -1.889 -7.524 -4.111 1.00 0.00 C ATOM 639 OE1 GLU A 43 -1.666 -8.679 -4.532 1.00 0.00 O ATOM 640 OE2 GLU A 43 -3.006 -7.149 -3.699 1.00 0.00 O ATOM 0 H GLU A 43 -0.286 -5.441 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.394 -8.332 -1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.237 -6.270 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.862 -7.914 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.088 -5.591 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.442 -6.316 -5.123 1.00 0.00 H new ATOM 647 N ARG A 44 2.333 -8.379 -1.565 1.00 0.00 N ATOM 648 CA ARG A 44 3.610 -8.614 -0.903 1.00 0.00 C ATOM 649 C ARG A 44 4.124 -7.338 -0.244 1.00 0.00 C ATOM 650 O ARG A 44 4.257 -7.268 0.978 1.00 0.00 O ATOM 651 CB ARG A 44 4.642 -9.132 -1.908 1.00 0.00 C ATOM 652 CG ARG A 44 4.576 -10.635 -2.127 1.00 0.00 C ATOM 653 CD ARG A 44 5.093 -11.398 -0.918 1.00 0.00 C ATOM 654 NE ARG A 44 4.490 -12.724 -0.809 1.00 0.00 N ATOM 655 CZ ARG A 44 4.823 -13.608 0.125 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.749 -13.308 1.026 1.00 0.00 N ATOM 657 NH2 ARG A 44 4.230 -14.794 0.160 1.00 0.00 N ATOM 0 H ARG A 44 2.198 -8.914 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 44 3.456 -9.366 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.493 -8.627 -2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.640 -8.867 -1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.546 -10.929 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.164 -10.902 -3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.176 -11.497 -0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.883 -10.829 -0.013 1.00 0.00 H new ATOM 0 HE ARG A 44 3.774 -12.985 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.207 -12.397 1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.003 -13.988 1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.517 -15.028 -0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.487 -15.472 0.878 1.00 0.00 H new ATOM 671 N PHE A 45 4.411 -6.330 -1.061 1.00 0.00 N ATOM 672 CA PHE A 45 4.912 -5.056 -0.557 1.00 0.00 C ATOM 673 C PHE A 45 3.978 -3.913 -0.946 1.00 0.00 C ATOM 674 O PHE A 45 4.353 -2.741 -0.882 1.00 0.00 O ATOM 675 CB PHE A 45 6.318 -4.787 -1.097 1.00 0.00 C ATOM 676 CG PHE A 45 7.385 -5.599 -0.420 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.585 -6.927 -0.761 1.00 0.00 C ATOM 678 CD2 PHE A 45 8.189 -5.033 0.557 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.566 -7.677 -0.140 1.00 0.00 C ATOM 680 CE2 PHE A 45 9.172 -5.778 1.180 1.00 0.00 C ATOM 681 CZ PHE A 45 9.360 -7.101 0.832 1.00 0.00 C ATOM 0 H PHE A 45 4.305 -6.370 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 45 4.953 -5.115 0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.335 -4.999 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.548 -3.728 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.967 -7.382 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.046 -3.999 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.711 -8.711 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.793 -5.326 1.939 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.127 -7.685 1.319 1.00 0.00 H new ATOM 691 N LEU A 46 2.762 -4.262 -1.349 1.00 0.00 N ATOM 692 CA LEU A 46 1.773 -3.267 -1.749 1.00 0.00 C ATOM 693 C LEU A 46 0.771 -3.014 -0.628 1.00 0.00 C ATOM 694 O LEU A 46 0.418 -3.925 0.122 1.00 0.00 O ATOM 695 CB LEU A 46 1.040 -3.726 -3.011 1.00 0.00 C ATOM 696 CG LEU A 46 0.471 -2.617 -3.897 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.441 -3.059 -5.352 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.922 -2.222 -3.429 1.00 0.00 C ATOM 0 H LEU A 46 2.437 -5.227 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 46 2.297 -2.335 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.727 -4.325 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.222 -4.382 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 46 1.120 -1.745 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.033 -2.257 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.453 -3.291 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.185 -3.946 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.311 -1.432 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.582 -3.088 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.872 -1.863 -2.401 1.00 0.00 H new ATOM 710 N LEU A 47 0.313 -1.772 -0.520 1.00 0.00 N ATOM 711 CA LEU A 47 -0.652 -1.398 0.508 1.00 0.00 C ATOM 712 C LEU A 47 -1.736 -0.491 -0.065 1.00 0.00 C ATOM 713 O LEU A 47 -1.570 0.091 -1.138 1.00 0.00 O ATOM 714 CB LEU A 47 0.056 -0.697 1.669 1.00 0.00 C ATOM 715 CG LEU A 47 1.279 -1.413 2.241 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.016 -0.513 3.220 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.869 -2.714 2.915 1.00 0.00 C ATOM 0 H LEU A 47 0.594 -1.006 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.125 -2.309 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.364 0.294 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.665 -0.553 2.474 1.00 0.00 H new ATOM 0 HG LEU A 47 1.954 -1.650 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.884 -1.040 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.344 0.391 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.349 -0.244 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.753 -3.210 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.173 -2.500 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.387 -3.365 2.186 1.00 0.00 H new ATOM 729 N PHE A 48 -2.844 -0.372 0.658 1.00 0.00 N ATOM 730 CA PHE A 48 -3.955 0.466 0.222 1.00 0.00 C ATOM 731 C PHE A 48 -4.063 1.719 1.086 1.00 0.00 C ATOM 732 O PHE A 48 -4.568 1.670 2.209 1.00 0.00 O ATOM 733 CB PHE A 48 -5.267 -0.320 0.277 1.00 0.00 C ATOM 734 CG PHE A 48 -6.440 0.432 -0.284 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.346 1.077 -1.507 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.637 0.493 0.411 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.423 1.771 -2.025 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.718 1.185 -0.102 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.611 1.823 -1.322 1.00 0.00 C ATOM 0 H PHE A 48 -2.997 -0.845 1.549 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.765 0.771 -0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.146 -1.252 -0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.478 -0.587 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.420 1.037 -2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.726 -0.006 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.336 2.272 -2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.645 1.227 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.455 2.362 -1.726 1.00 0.00 H new ATOM 749 N CYS A 49 -3.585 2.839 0.556 1.00 0.00 N ATOM 750 CA CYS A 49 -3.626 4.106 1.279 1.00 0.00 C ATOM 751 C CYS A 49 -4.929 4.848 1.001 1.00 0.00 C ATOM 752 O CYS A 49 -5.405 4.887 -0.133 1.00 0.00 O ATOM 753 CB CYS A 49 -2.434 4.979 0.887 1.00 0.00 C ATOM 754 SG CYS A 49 -0.843 4.120 0.930 1.00 0.00 S ATOM 0 H CYS A 49 -3.165 2.896 -0.372 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.573 3.890 2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.597 5.368 -0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.390 5.837 1.558 1.00 0.00 H new ATOM 0 HG CYS A 49 0.105 4.946 0.602 1.00 0.00 H new ATOM 760 N VAL A 50 -5.503 5.435 2.047 1.00 0.00 N ATOM 761 CA VAL A 50 -6.752 6.176 1.916 1.00 0.00 C ATOM 762 C VAL A 50 -6.721 7.456 2.744 1.00 0.00 C ATOM 763 O VAL A 50 -6.327 7.444 3.910 1.00 0.00 O ATOM 764 CB VAL A 50 -7.959 5.324 2.353 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.168 6.208 2.619 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.277 4.273 1.301 1.00 0.00 C ATOM 0 H VAL A 50 -5.123 5.412 2.993 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.860 6.431 0.862 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.704 4.811 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.011 5.589 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.932 6.919 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.429 6.751 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.132 3.680 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.513 4.763 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.414 3.621 1.165 1.00 0.00 H new ATOM 776 N HIS A 51 -7.140 8.560 2.133 1.00 0.00 N ATOM 777 CA HIS A 51 -7.161 9.850 2.814 1.00 0.00 C ATOM 778 C HIS A 51 -8.338 10.696 2.339 1.00 0.00 C ATOM 779 O HIS A 51 -8.741 10.620 1.179 1.00 0.00 O ATOM 780 CB HIS A 51 -5.850 10.598 2.574 1.00 0.00 C ATOM 781 CG HIS A 51 -5.557 11.641 3.609 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.563 11.573 4.961 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.211 12.938 3.294 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.222 12.816 5.433 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -5.015 13.622 4.407 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.469 8.587 1.168 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.276 9.667 3.882 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.030 9.880 2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.886 11.072 1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.115 13.333 2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.137 13.090 6.474 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.749 14.605 4.464 1.00 0.00 H new ATOM 794 N GLY A 52 -8.886 11.501 3.244 1.00 0.00 N ATOM 795 CA GLY A 52 -10.012 12.349 2.898 1.00 0.00 C ATOM 796 C GLY A 52 -9.821 13.781 3.356 1.00 0.00 C ATOM 797 O GLY A 52 -10.494 14.240 4.279 1.00 0.00 O ATOM 0 H GLY A 52 -8.570 11.581 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.157 12.332 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.919 11.945 3.348 1.00 0.00 H new ATOM 801 N ASP A 53 -8.901 14.490 2.711 1.00 0.00 N ATOM 802 CA ASP A 53 -8.623 15.878 3.058 1.00 0.00 C ATOM 803 C ASP A 53 -9.620 16.817 2.385 1.00 0.00 C ATOM 804 O ASP A 53 -9.234 17.803 1.759 1.00 0.00 O ATOM 805 CB ASP A 53 -7.197 16.252 2.651 1.00 0.00 C ATOM 806 CG ASP A 53 -6.803 17.637 3.128 1.00 0.00 C ATOM 807 OD1 ASP A 53 -6.853 17.880 4.352 1.00 0.00 O ATOM 808 OD2 ASP A 53 -6.443 18.477 2.277 1.00 0.00 O ATOM 0 H ASP A 53 -8.335 14.126 1.945 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.724 15.984 4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.502 15.519 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.108 16.206 1.566 1.00 0.00 H new ATOM 813 N GLY A 54 -10.904 16.501 2.518 1.00 0.00 N ATOM 814 CA GLY A 54 -11.937 17.325 1.916 1.00 0.00 C ATOM 815 C GLY A 54 -13.333 16.835 2.244 1.00 0.00 C ATOM 816 O GLY A 54 -13.722 16.780 3.411 1.00 0.00 O ATOM 0 H GLY A 54 -11.248 15.690 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.825 18.353 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.804 17.336 0.834 1.00 0.00 H new ATOM 820 N HIS A 55 -14.092 16.480 1.211 1.00 0.00 N ATOM 821 CA HIS A 55 -15.454 15.993 1.395 1.00 0.00 C ATOM 822 C HIS A 55 -15.517 14.478 1.230 1.00 0.00 C ATOM 823 O HIS A 55 -14.544 13.848 0.816 1.00 0.00 O ATOM 824 CB HIS A 55 -16.397 16.666 0.397 1.00 0.00 C ATOM 825 CG HIS A 55 -16.850 18.028 0.825 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.763 18.234 1.838 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.509 19.257 0.373 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.965 19.530 1.989 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.216 20.174 1.112 1.00 0.00 N ATOM 0 H HIS A 55 -13.786 16.521 0.239 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.769 16.243 2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.895 16.746 -0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.271 16.031 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.811 19.476 -0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.630 19.986 2.708 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -17.170 21.187 1.002 1.00 0.00 H new ATOM 838 N ALA A 56 -16.667 13.899 1.558 1.00 0.00 N ATOM 839 CA ALA A 56 -16.857 12.458 1.445 1.00 0.00 C ATOM 840 C ALA A 56 -16.768 12.005 -0.008 1.00 0.00 C ATOM 841 O ALA A 56 -16.012 11.091 -0.337 1.00 0.00 O ATOM 842 CB ALA A 56 -18.195 12.053 2.045 1.00 0.00 C ATOM 0 H ALA A 56 -17.482 14.406 1.904 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.059 11.967 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -18.323 10.974 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.221 12.334 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -19.000 12.560 1.514 1.00 0.00 H new ATOM 848 N GLU A 57 -17.546 12.649 -0.873 1.00 0.00 N ATOM 849 CA GLU A 57 -17.555 12.310 -2.291 1.00 0.00 C ATOM 850 C GLU A 57 -16.264 12.763 -2.967 1.00 0.00 C ATOM 851 O GLU A 57 -16.080 12.572 -4.168 1.00 0.00 O ATOM 852 CB GLU A 57 -18.759 12.952 -2.984 1.00 0.00 C ATOM 853 CG GLU A 57 -20.083 12.661 -2.297 1.00 0.00 C ATOM 854 CD GLU A 57 -21.155 13.674 -2.645 1.00 0.00 C ATOM 855 OE1 GLU A 57 -21.095 14.806 -2.121 1.00 0.00 O ATOM 856 OE2 GLU A 57 -22.055 13.335 -3.442 1.00 0.00 O ATOM 0 H GLU A 57 -18.178 13.408 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.630 11.226 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.611 14.031 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.807 12.596 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -20.424 11.665 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.934 12.652 -1.217 1.00 0.00 H new ATOM 863 N ASN A 58 -15.373 13.364 -2.185 1.00 0.00 N ATOM 864 CA ASN A 58 -14.099 13.846 -2.708 1.00 0.00 C ATOM 865 C ASN A 58 -12.931 13.120 -2.048 1.00 0.00 C ATOM 866 O ASN A 58 -11.830 13.661 -1.942 1.00 0.00 O ATOM 867 CB ASN A 58 -13.970 15.354 -2.483 1.00 0.00 C ATOM 868 CG ASN A 58 -14.780 16.159 -3.480 1.00 0.00 C ATOM 869 OD1 ASN A 58 -14.226 16.875 -4.313 1.00 0.00 O ATOM 870 ND2 ASN A 58 -16.101 16.045 -3.398 1.00 0.00 N ATOM 0 H ASN A 58 -15.509 13.529 -1.188 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.073 13.641 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.298 15.597 -1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.921 15.641 -2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.699 16.563 -4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.518 15.439 -2.691 1.00 0.00 H new ATOM 877 N LEU A 59 -13.179 11.891 -1.607 1.00 0.00 N ATOM 878 CA LEU A 59 -12.147 11.089 -0.958 1.00 0.00 C ATOM 879 C LEU A 59 -11.124 10.592 -1.974 1.00 0.00 C ATOM 880 O LEU A 59 -11.480 10.171 -3.075 1.00 0.00 O ATOM 881 CB LEU A 59 -12.780 9.901 -0.231 1.00 0.00 C ATOM 882 CG LEU A 59 -11.858 9.118 0.704 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.885 9.716 2.103 1.00 0.00 C ATOM 884 CD2 LEU A 59 -12.257 7.650 0.741 1.00 0.00 C ATOM 0 H LEU A 59 -14.085 11.429 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.633 11.720 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.628 10.265 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.177 9.213 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.840 9.187 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.223 9.146 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.550 10.752 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.901 9.678 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.590 7.108 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -13.283 7.561 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.185 7.228 -0.261 1.00 0.00 H new ATOM 896 N VAL A 60 -9.851 10.642 -1.597 1.00 0.00 N ATOM 897 CA VAL A 60 -8.775 10.194 -2.474 1.00 0.00 C ATOM 898 C VAL A 60 -8.191 8.870 -1.994 1.00 0.00 C ATOM 899 O VAL A 60 -8.021 8.654 -0.794 1.00 0.00 O ATOM 900 CB VAL A 60 -7.648 11.239 -2.558 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.399 10.629 -3.176 1.00 0.00 C ATOM 902 CG2 VAL A 60 -8.106 12.454 -3.352 1.00 0.00 C ATOM 0 H VAL A 60 -9.539 10.988 -0.690 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.209 10.059 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.403 11.565 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.613 11.383 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.061 9.793 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.627 10.273 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.297 13.183 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.380 12.147 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.970 12.904 -2.863 1.00 0.00 H new ATOM 912 N GLN A 61 -7.884 7.987 -2.939 1.00 0.00 N ATOM 913 CA GLN A 61 -7.318 6.684 -2.613 1.00 0.00 C ATOM 914 C GLN A 61 -6.209 6.311 -3.591 1.00 0.00 C ATOM 915 O GLN A 61 -6.349 6.492 -4.800 1.00 0.00 O ATOM 916 CB GLN A 61 -8.410 5.612 -2.628 1.00 0.00 C ATOM 917 CG GLN A 61 -9.656 6.002 -1.850 1.00 0.00 C ATOM 918 CD GLN A 61 -10.888 5.243 -2.303 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.411 5.478 -3.392 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.359 4.325 -1.466 1.00 0.00 N ATOM 0 H GLN A 61 -8.018 8.151 -3.937 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.889 6.742 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.688 5.402 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.007 4.688 -2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.490 5.817 -0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.831 7.072 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.894 4.163 -0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.186 3.783 -1.717 1.00 0.00 H new ATOM 929 N TRP A 62 -5.109 5.792 -3.059 1.00 0.00 N ATOM 930 CA TRP A 62 -3.975 5.394 -3.886 1.00 0.00 C ATOM 931 C TRP A 62 -3.203 4.250 -3.237 1.00 0.00 C ATOM 932 O TRP A 62 -3.216 4.096 -2.017 1.00 0.00 O ATOM 933 CB TRP A 62 -3.045 6.586 -4.120 1.00 0.00 C ATOM 934 CG TRP A 62 -2.281 6.992 -2.896 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.992 6.661 -2.587 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.758 7.802 -1.817 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.640 7.218 -1.381 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.706 7.923 -0.888 1.00 0.00 C ATOM 939 CE3 TRP A 62 -3.972 8.439 -1.545 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.833 8.653 0.290 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.097 9.163 -0.375 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.032 9.266 0.531 1.00 0.00 C ATOM 0 H TRP A 62 -4.978 5.637 -2.059 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.360 5.049 -4.846 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.340 6.338 -4.914 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.634 7.434 -4.470 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.345 6.051 -3.200 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.268 7.122 -0.927 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.798 8.367 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.014 8.733 0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.031 9.658 -0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.161 9.840 1.437 1.00 0.00 H new ATOM 953 N GLU A 63 -2.531 3.453 -4.062 1.00 0.00 N ATOM 954 CA GLU A 63 -1.754 2.323 -3.566 1.00 0.00 C ATOM 955 C GLU A 63 -0.293 2.713 -3.366 1.00 0.00 C ATOM 956 O GLU A 63 0.123 3.811 -3.735 1.00 0.00 O ATOM 957 CB GLU A 63 -1.850 1.144 -4.537 1.00 0.00 C ATOM 958 CG GLU A 63 -3.278 0.734 -4.858 1.00 0.00 C ATOM 959 CD GLU A 63 -3.815 -0.309 -3.898 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.161 -0.557 -2.864 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.891 -0.877 -4.181 1.00 0.00 O ATOM 0 H GLU A 63 -2.509 3.569 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.168 2.026 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.339 1.405 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.323 0.290 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.920 1.614 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.320 0.343 -5.874 1.00 0.00 H new ATOM 968 N MET A 64 0.481 1.806 -2.779 1.00 0.00 N ATOM 969 CA MET A 64 1.896 2.056 -2.530 1.00 0.00 C ATOM 970 C MET A 64 2.673 0.745 -2.448 1.00 0.00 C ATOM 971 O MET A 64 2.371 -0.114 -1.621 1.00 0.00 O ATOM 972 CB MET A 64 2.076 2.851 -1.236 1.00 0.00 C ATOM 973 CG MET A 64 1.746 4.328 -1.378 1.00 0.00 C ATOM 974 SD MET A 64 2.182 5.282 0.088 1.00 0.00 S ATOM 975 CE MET A 64 3.943 5.497 -0.159 1.00 0.00 C ATOM 0 H MET A 64 0.153 0.892 -2.467 1.00 0.00 H new ATOM 0 HA MET A 64 2.288 2.639 -3.363 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.442 2.418 -0.462 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.107 2.749 -0.897 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.275 4.733 -2.241 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.680 4.441 -1.576 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.368 6.024 0.695 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.419 4.521 -0.257 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.115 6.077 -1.066 1.00 0.00 H new ATOM 985 N GLU A 65 3.673 0.600 -3.312 1.00 0.00 N ATOM 986 CA GLU A 65 4.491 -0.607 -3.336 1.00 0.00 C ATOM 987 C GLU A 65 5.972 -0.257 -3.450 1.00 0.00 C ATOM 988 O GLU A 65 6.341 0.743 -4.066 1.00 0.00 O ATOM 989 CB GLU A 65 4.077 -1.507 -4.502 1.00 0.00 C ATOM 990 CG GLU A 65 4.817 -2.833 -4.540 1.00 0.00 C ATOM 991 CD GLU A 65 4.981 -3.370 -5.948 1.00 0.00 C ATOM 992 OE1 GLU A 65 5.696 -2.730 -6.747 1.00 0.00 O ATOM 993 OE2 GLU A 65 4.395 -4.430 -6.252 1.00 0.00 O ATOM 0 H GLU A 65 3.936 1.302 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 65 4.332 -1.142 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.006 -1.700 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.250 -0.977 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.800 -2.709 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.277 -3.563 -3.937 1.00 0.00 H new ATOM 1000 N VAL A 66 6.818 -1.089 -2.850 1.00 0.00 N ATOM 1001 CA VAL A 66 8.259 -0.870 -2.884 1.00 0.00 C ATOM 1002 C VAL A 66 8.932 -1.794 -3.892 1.00 0.00 C ATOM 1003 O VAL A 66 8.914 -3.016 -3.738 1.00 0.00 O ATOM 1004 CB VAL A 66 8.893 -1.092 -1.497 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.379 -0.771 -1.532 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.182 -0.253 -0.446 1.00 0.00 C ATOM 0 H VAL A 66 6.530 -1.921 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 66 8.415 0.166 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 66 8.779 -2.142 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.810 -0.934 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.874 -1.419 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.520 0.270 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.643 -0.422 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.263 0.802 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.130 -0.537 -0.404 1.00 0.00 H new ATOM 1016 N CYS A 67 9.525 -1.203 -4.923 1.00 0.00 N ATOM 1017 CA CYS A 67 10.205 -1.974 -5.959 1.00 0.00 C ATOM 1018 C CYS A 67 11.536 -1.329 -6.331 1.00 0.00 C ATOM 1019 O CYS A 67 11.707 -0.116 -6.207 1.00 0.00 O ATOM 1020 CB CYS A 67 9.318 -2.095 -7.199 1.00 0.00 C ATOM 1021 SG CYS A 67 9.633 -3.574 -8.190 1.00 0.00 S ATOM 0 H CYS A 67 9.549 -0.193 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 67 10.403 -2.971 -5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.274 -2.095 -6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.464 -1.214 -7.824 1.00 0.00 H new ATOM 0 HG CYS A 67 8.833 -3.588 -9.215 1.00 0.00 H new ATOM 1027 N LYS A 68 12.477 -2.148 -6.788 1.00 0.00 N ATOM 1028 CA LYS A 68 13.794 -1.658 -7.179 1.00 0.00 C ATOM 1029 C LYS A 68 13.815 -1.271 -8.654 1.00 0.00 C ATOM 1030 O LYS A 68 13.170 -1.914 -9.484 1.00 0.00 O ATOM 1031 CB LYS A 68 14.859 -2.723 -6.905 1.00 0.00 C ATOM 1032 CG LYS A 68 14.767 -3.926 -7.827 1.00 0.00 C ATOM 1033 CD LYS A 68 15.882 -4.923 -7.556 1.00 0.00 C ATOM 1034 CE LYS A 68 15.685 -6.207 -8.346 1.00 0.00 C ATOM 1035 NZ LYS A 68 15.778 -5.976 -9.814 1.00 0.00 N ATOM 0 H LYS A 68 12.352 -3.154 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 68 14.015 -0.771 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.846 -2.272 -7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.767 -3.059 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.801 -4.414 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.818 -3.595 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.842 -4.477 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.916 -5.152 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.436 -6.937 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.711 -6.635 -8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.706 -6.885 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.003 -5.352 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.690 -5.529 -10.038 1.00 0.00 H new ATOM 1049 N LEU A 69 14.560 -0.220 -8.975 1.00 0.00 N ATOM 1050 CA LEU A 69 14.666 0.252 -10.351 1.00 0.00 C ATOM 1051 C LEU A 69 15.974 -0.210 -10.986 1.00 0.00 C ATOM 1052 O LEU A 69 17.048 -0.119 -10.390 1.00 0.00 O ATOM 1053 CB LEU A 69 14.575 1.778 -10.397 1.00 0.00 C ATOM 1054 CG LEU A 69 13.687 2.430 -9.336 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.492 2.740 -8.083 1.00 0.00 C ATOM 1056 CD2 LEU A 69 13.041 3.693 -9.884 1.00 0.00 C ATOM 0 H LEU A 69 15.100 0.322 -8.301 1.00 0.00 H new ATOM 0 HA LEU A 69 13.838 -0.172 -10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.581 2.185 -10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.206 2.071 -11.380 1.00 0.00 H new ATOM 0 HG LEU A 69 12.896 1.728 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.844 3.203 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.906 1.816 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.304 3.423 -8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.413 4.143 -9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.817 4.400 -10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.430 3.442 -10.751 1.00 0.00 H new ATOM 1068 N PRO A 70 15.885 -0.716 -12.225 1.00 0.00 N ATOM 1069 CA PRO A 70 17.052 -1.199 -12.968 1.00 0.00 C ATOM 1070 C PRO A 70 17.980 -0.065 -13.392 1.00 0.00 C ATOM 1071 O PRO A 70 19.201 -0.172 -13.274 1.00 0.00 O ATOM 1072 CB PRO A 70 16.436 -1.873 -14.197 1.00 0.00 C ATOM 1073 CG PRO A 70 15.119 -1.200 -14.377 1.00 0.00 C ATOM 1074 CD PRO A 70 14.638 -0.854 -12.995 1.00 0.00 C ATOM 0 HA PRO A 70 17.672 -1.863 -12.366 1.00 0.00 H new ATOM 0 HB2 PRO A 70 17.068 -1.748 -15.076 1.00 0.00 H new ATOM 0 HB3 PRO A 70 16.315 -2.945 -14.042 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.219 -0.305 -14.991 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.411 -1.856 -14.883 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.059 0.069 -12.991 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.997 -1.635 -12.585 1.00 0.00 H new ATOM 1082 N ARG A 71 17.393 1.020 -13.885 1.00 0.00 N ATOM 1083 CA ARG A 71 18.167 2.173 -14.328 1.00 0.00 C ATOM 1084 C ARG A 71 18.848 2.857 -13.145 1.00 0.00 C ATOM 1085 O ARG A 71 19.808 3.609 -13.317 1.00 0.00 O ATOM 1086 CB ARG A 71 17.266 3.171 -15.057 1.00 0.00 C ATOM 1087 CG ARG A 71 16.573 2.587 -16.277 1.00 0.00 C ATOM 1088 CD ARG A 71 17.436 2.715 -17.522 1.00 0.00 C ATOM 1089 NE ARG A 71 17.980 4.062 -17.675 1.00 0.00 N ATOM 1090 CZ ARG A 71 18.977 4.363 -18.500 1.00 0.00 C ATOM 1091 NH1 ARG A 71 19.537 3.417 -19.242 1.00 0.00 N ATOM 1092 NH2 ARG A 71 19.417 5.612 -18.583 1.00 0.00 N ATOM 0 H ARG A 71 16.384 1.125 -13.988 1.00 0.00 H new ATOM 0 HA ARG A 71 18.936 1.820 -15.015 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.511 3.540 -14.363 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.863 4.029 -15.365 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.344 1.536 -16.098 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.624 3.098 -16.437 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.255 1.997 -17.471 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.844 2.461 -18.401 1.00 0.00 H new ATOM 0 HE ARG A 71 17.572 4.813 -17.118 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.202 2.455 -19.180 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.302 3.651 -19.874 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.990 6.342 -18.013 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.182 5.842 -19.217 1.00 0.00 H new ATOM 1106 N LEU A 72 18.344 2.591 -11.945 1.00 0.00 N ATOM 1107 CA LEU A 72 18.903 3.180 -10.733 1.00 0.00 C ATOM 1108 C LEU A 72 19.497 2.105 -9.828 1.00 0.00 C ATOM 1109 O LEU A 72 19.145 0.930 -9.931 1.00 0.00 O ATOM 1110 CB LEU A 72 17.825 3.960 -9.978 1.00 0.00 C ATOM 1111 CG LEU A 72 17.011 4.954 -10.807 1.00 0.00 C ATOM 1112 CD1 LEU A 72 15.870 5.529 -9.982 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.905 6.068 -11.333 1.00 0.00 C ATOM 0 H LEU A 72 17.550 1.972 -11.785 1.00 0.00 H new ATOM 0 HA LEU A 72 19.700 3.863 -11.025 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.137 3.245 -9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.302 4.503 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 72 16.585 4.424 -11.659 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.302 6.234 -10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.215 4.722 -9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.275 6.044 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.309 6.766 -11.921 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.360 6.596 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.687 5.641 -11.961 1.00 0.00 H new ATOM 1125 N SER A 73 20.398 2.517 -8.942 1.00 0.00 N ATOM 1126 CA SER A 73 21.042 1.589 -8.020 1.00 0.00 C ATOM 1127 C SER A 73 20.403 1.666 -6.636 1.00 0.00 C ATOM 1128 O SER A 73 21.074 1.486 -5.619 1.00 0.00 O ATOM 1129 CB SER A 73 22.538 1.891 -7.921 1.00 0.00 C ATOM 1130 OG SER A 73 23.216 0.880 -7.195 1.00 0.00 O ATOM 0 H SER A 73 20.698 3.487 -8.843 1.00 0.00 H new ATOM 0 HA SER A 73 20.907 0.579 -8.407 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.963 1.971 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.686 2.855 -7.433 1.00 0.00 H new ATOM 0 HG SER A 73 22.701 0.652 -6.393 1.00 0.00 H new ATOM 1136 N LEU A 74 19.103 1.936 -6.607 1.00 0.00 N ATOM 1137 CA LEU A 74 18.371 2.038 -5.349 1.00 0.00 C ATOM 1138 C LEU A 74 16.926 1.582 -5.521 1.00 0.00 C ATOM 1139 O LEU A 74 16.536 1.110 -6.588 1.00 0.00 O ATOM 1140 CB LEU A 74 18.405 3.477 -4.831 1.00 0.00 C ATOM 1141 CG LEU A 74 18.286 4.574 -5.890 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.597 4.732 -6.645 1.00 0.00 C ATOM 1143 CD2 LEU A 74 17.149 4.265 -6.852 1.00 0.00 C ATOM 0 H LEU A 74 18.534 2.088 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 74 18.855 1.385 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.594 3.603 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.338 3.624 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 74 18.064 5.515 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 74 19.493 5.517 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 74 20.389 5.000 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 74 19.849 3.792 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 74 17.079 5.056 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 74 17.341 3.314 -7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 74 16.211 4.204 -6.299 1.00 0.00 H new ATOM 1155 N ASN A 75 16.135 1.728 -4.463 1.00 0.00 N ATOM 1156 CA ASN A 75 14.731 1.333 -4.498 1.00 0.00 C ATOM 1157 C ASN A 75 13.831 2.542 -4.732 1.00 0.00 C ATOM 1158 O ASN A 75 14.271 3.686 -4.630 1.00 0.00 O ATOM 1159 CB ASN A 75 14.343 0.640 -3.190 1.00 0.00 C ATOM 1160 CG ASN A 75 13.240 -0.384 -3.383 1.00 0.00 C ATOM 1161 OD1 ASN A 75 12.130 -0.047 -3.796 1.00 0.00 O ATOM 1162 ND2 ASN A 75 13.543 -1.642 -3.085 1.00 0.00 N ATOM 0 H ASN A 75 16.442 2.117 -3.571 1.00 0.00 H new ATOM 0 HA ASN A 75 14.596 0.637 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.220 0.150 -2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.018 1.389 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.843 -2.375 -3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.476 -1.875 -2.746 1.00 0.00 H new ATOM 1169 N GLY A 76 12.566 2.279 -5.047 1.00 0.00 N ATOM 1170 CA GLY A 76 11.623 3.355 -5.291 1.00 0.00 C ATOM 1171 C GLY A 76 10.201 2.972 -4.932 1.00 0.00 C ATOM 1172 O GLY A 76 9.793 1.826 -5.118 1.00 0.00 O ATOM 0 H GLY A 76 12.178 1.340 -5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.917 4.230 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.665 3.639 -6.342 1.00 0.00 H new ATOM 1176 N VAL A 77 9.444 3.934 -4.413 1.00 0.00 N ATOM 1177 CA VAL A 77 8.060 3.692 -4.026 1.00 0.00 C ATOM 1178 C VAL A 77 7.123 3.830 -5.221 1.00 0.00 C ATOM 1179 O VAL A 77 7.454 4.482 -6.211 1.00 0.00 O ATOM 1180 CB VAL A 77 7.608 4.664 -2.919 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.164 4.392 -2.526 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.527 4.559 -1.712 1.00 0.00 C ATOM 0 H VAL A 77 9.767 4.888 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 77 8.012 2.672 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 77 7.668 5.681 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.863 5.088 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.520 4.522 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.074 3.370 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.194 5.252 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.501 3.541 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.546 4.808 -2.008 1.00 0.00 H new ATOM 1192 N ARG A 78 5.951 3.211 -5.121 1.00 0.00 N ATOM 1193 CA ARG A 78 4.965 3.263 -6.194 1.00 0.00 C ATOM 1194 C ARG A 78 3.766 4.115 -5.790 1.00 0.00 C ATOM 1195 O ARG A 78 3.423 4.203 -4.611 1.00 0.00 O ATOM 1196 CB ARG A 78 4.502 1.852 -6.559 1.00 0.00 C ATOM 1197 CG ARG A 78 4.094 1.703 -8.016 1.00 0.00 C ATOM 1198 CD ARG A 78 3.768 0.257 -8.358 1.00 0.00 C ATOM 1199 NE ARG A 78 2.358 -0.052 -8.140 1.00 0.00 N ATOM 1200 CZ ARG A 78 1.818 -1.239 -8.397 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.567 -2.222 -8.876 1.00 0.00 N ATOM 1202 NH2 ARG A 78 0.526 -1.443 -8.172 1.00 0.00 N ATOM 0 H ARG A 78 5.661 2.668 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 78 5.436 3.720 -7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.305 1.148 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.658 1.580 -5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.226 2.330 -8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.900 2.057 -8.659 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.025 0.064 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.383 -0.407 -7.750 1.00 0.00 H new ATOM 0 HE ARG A 78 1.755 0.683 -7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.561 -2.069 -9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.150 -3.132 -9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.053 -0.689 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.112 -2.354 -8.369 1.00 0.00 H new ATOM 1216 N PHE A 79 3.132 4.742 -6.776 1.00 0.00 N ATOM 1217 CA PHE A 79 1.972 5.588 -6.523 1.00 0.00 C ATOM 1218 C PHE A 79 0.900 5.375 -7.587 1.00 0.00 C ATOM 1219 O PHE A 79 1.040 5.824 -8.725 1.00 0.00 O ATOM 1220 CB PHE A 79 2.386 7.061 -6.488 1.00 0.00 C ATOM 1221 CG PHE A 79 3.263 7.410 -5.319 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.584 6.996 -5.280 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.765 8.153 -4.261 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.393 7.315 -4.205 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.569 8.475 -3.184 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.885 8.057 -3.156 1.00 0.00 C ATOM 0 H PHE A 79 3.402 4.680 -7.758 1.00 0.00 H new ATOM 0 HA PHE A 79 1.557 5.311 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.911 7.304 -7.411 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.490 7.681 -6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.987 6.418 -6.098 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.737 8.484 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.421 6.984 -4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.168 9.053 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.515 8.309 -2.316 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.171 4.685 -7.210 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.268 4.410 -8.130 1.00 0.00 C ATOM 1238 C LYS A 80 -2.548 5.101 -7.671 1.00 0.00 C ATOM 1239 O LYS A 80 -3.092 4.782 -6.614 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.501 2.902 -8.243 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.044 2.470 -9.594 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.086 0.956 -9.720 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.407 0.392 -9.219 1.00 0.00 C ATOM 1244 NZ LYS A 80 -4.551 0.819 -10.072 1.00 0.00 N ATOM 0 H LYS A 80 -0.303 4.306 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.995 4.803 -9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.561 2.383 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.198 2.591 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.047 2.875 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.422 2.885 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.940 0.672 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.264 0.520 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.354 -0.697 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.576 0.720 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.316 0.118 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.899 1.744 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.238 0.893 -11.061 1.00 0.00 H new ATOM 1258 N ARG A 81 -3.026 6.046 -8.474 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.242 6.781 -8.150 1.00 0.00 C ATOM 1260 C ARG A 81 -5.479 5.927 -8.412 1.00 0.00 C ATOM 1261 O ARG A 81 -5.758 5.555 -9.552 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.317 8.072 -8.968 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.557 8.903 -8.681 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.987 9.701 -9.902 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.368 8.836 -11.015 1.00 0.00 N ATOM 1266 CZ ARG A 81 -7.114 9.239 -12.037 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -7.556 10.488 -12.088 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -7.418 8.392 -13.013 1.00 0.00 N ATOM 0 H ARG A 81 -2.589 6.320 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.213 7.033 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.431 8.674 -8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.295 7.822 -10.029 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.370 8.249 -8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.357 9.583 -7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.827 10.343 -9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.172 10.354 -10.213 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.043 7.869 -11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.323 11.142 -11.341 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.129 10.795 -12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.079 7.431 -12.978 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.991 8.702 -13.798 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.216 5.621 -7.350 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.423 4.811 -7.466 1.00 0.00 C ATOM 1284 C ILE A 82 -8.643 5.681 -7.750 1.00 0.00 C ATOM 1285 O ILE A 82 -9.346 5.478 -8.740 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.677 3.993 -6.186 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.527 3.013 -5.945 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -9.001 3.250 -6.287 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -6.329 2.025 -7.073 1.00 0.00 C ATOM 0 H ILE A 82 -5.999 5.921 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.265 4.127 -8.300 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.730 4.677 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.605 3.576 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.715 2.465 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.167 2.676 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.812 3.967 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.974 2.574 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.498 1.362 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.237 1.436 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.110 2.564 -7.995 1.00 0.00 H new ATOM 1301 N SER A 83 -8.887 6.652 -6.876 1.00 0.00 N ATOM 1302 CA SER A 83 -10.023 7.553 -7.032 1.00 0.00 C ATOM 1303 C SER A 83 -9.569 9.009 -7.013 1.00 0.00 C ATOM 1304 O SER A 83 -8.379 9.298 -6.900 1.00 0.00 O ATOM 1305 CB SER A 83 -11.048 7.312 -5.922 1.00 0.00 C ATOM 1306 OG SER A 83 -10.467 7.498 -4.642 1.00 0.00 O ATOM 0 H SER A 83 -8.313 6.835 -6.053 1.00 0.00 H new ATOM 0 HA SER A 83 -10.487 7.348 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.889 7.994 -6.045 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.444 6.299 -6.002 1.00 0.00 H new ATOM 0 HG SER A 83 -11.014 7.046 -3.966 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.528 9.923 -7.125 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.208 11.339 -7.119 1.00 0.00 C ATOM 1314 C GLY A 84 -9.644 11.811 -8.444 1.00 0.00 C ATOM 1315 O GLY A 84 -9.273 11.002 -9.294 1.00 0.00 O ATOM 0 H GLY A 84 -11.521 9.708 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.106 11.910 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.487 11.542 -6.327 1.00 0.00 H new ATOM 1319 N THR A 85 -9.579 13.127 -8.623 1.00 0.00 N ATOM 1320 CA THR A 85 -9.060 13.707 -9.855 1.00 0.00 C ATOM 1321 C THR A 85 -7.557 13.947 -9.758 1.00 0.00 C ATOM 1322 O THR A 85 -6.931 13.626 -8.748 1.00 0.00 O ATOM 1323 CB THR A 85 -9.761 15.037 -10.189 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.429 15.444 -11.522 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.355 16.125 -9.206 1.00 0.00 C ATOM 0 H THR A 85 -9.880 13.812 -7.929 1.00 0.00 H new ATOM 0 HA THR A 85 -9.260 12.990 -10.651 1.00 0.00 H new ATOM 0 HB THR A 85 -10.838 14.884 -10.113 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.880 16.289 -11.728 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.863 17.055 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.634 15.825 -8.196 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.277 16.275 -9.255 1.00 0.00 H new ATOM 1333 N SER A 86 -6.985 14.515 -10.815 1.00 0.00 N ATOM 1334 CA SER A 86 -5.554 14.796 -10.850 1.00 0.00 C ATOM 1335 C SER A 86 -5.148 15.694 -9.685 1.00 0.00 C ATOM 1336 O SER A 86 -4.223 15.378 -8.937 1.00 0.00 O ATOM 1337 CB SER A 86 -5.176 15.459 -12.176 1.00 0.00 C ATOM 1338 OG SER A 86 -5.917 16.649 -12.381 1.00 0.00 O ATOM 0 H SER A 86 -7.490 14.789 -11.658 1.00 0.00 H new ATOM 0 HA SER A 86 -5.020 13.850 -10.760 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.110 15.685 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.359 14.767 -12.998 1.00 0.00 H new ATOM 0 HG SER A 86 -5.656 17.054 -13.234 1.00 0.00 H new ATOM 1344 N ILE A 87 -5.847 16.815 -9.539 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.560 17.759 -8.466 1.00 0.00 C ATOM 1346 C ILE A 87 -5.689 17.093 -7.100 1.00 0.00 C ATOM 1347 O ILE A 87 -4.701 16.921 -6.387 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.501 18.977 -8.521 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.118 19.892 -9.686 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.459 19.739 -7.205 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.286 20.668 -10.254 1.00 0.00 C ATOM 0 H ILE A 87 -6.616 17.091 -10.150 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.533 18.097 -8.608 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.520 18.624 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.355 20.594 -9.350 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.672 19.291 -10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.129 20.597 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.775 19.083 -6.394 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.442 20.084 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.941 21.295 -11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.041 19.973 -10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.719 21.296 -9.475 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.913 16.719 -6.743 1.00 0.00 N ATOM 1364 CA ALA A 88 -7.170 16.068 -5.464 1.00 0.00 C ATOM 1365 C ALA A 88 -6.198 14.918 -5.228 1.00 0.00 C ATOM 1366 O ALA A 88 -5.912 14.558 -4.086 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.606 15.568 -5.406 1.00 0.00 C ATOM 0 H ALA A 88 -7.742 16.856 -7.321 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.020 16.803 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.784 15.084 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.289 16.410 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.775 14.852 -6.210 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.693 14.343 -6.315 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.753 13.231 -6.226 1.00 0.00 C ATOM 1375 C PHE A 89 -3.382 13.714 -5.761 1.00 0.00 C ATOM 1376 O PHE A 89 -2.956 13.426 -4.643 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.628 12.532 -7.581 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.446 11.610 -7.673 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.101 10.797 -6.605 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.680 11.557 -8.826 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.014 9.947 -6.687 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.592 10.709 -8.913 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.258 9.903 -7.842 1.00 0.00 C ATOM 0 H PHE A 89 -5.919 14.629 -7.268 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.136 12.521 -5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.538 11.963 -7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.552 13.286 -8.364 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.688 10.828 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.936 12.185 -9.666 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.756 9.318 -5.848 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.003 10.677 -9.818 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.408 9.240 -7.908 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.695 14.449 -6.629 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.373 14.974 -6.310 1.00 0.00 C ATOM 1395 C LYS A 90 -1.403 15.771 -5.009 1.00 0.00 C ATOM 1396 O LYS A 90 -0.408 15.837 -4.288 1.00 0.00 O ATOM 1397 CB LYS A 90 -0.863 15.857 -7.450 1.00 0.00 C ATOM 1398 CG LYS A 90 0.616 16.188 -7.349 1.00 0.00 C ATOM 1399 CD LYS A 90 0.850 17.460 -6.551 1.00 0.00 C ATOM 1400 CE LYS A 90 0.735 18.697 -7.428 1.00 0.00 C ATOM 1401 NZ LYS A 90 1.923 18.864 -8.310 1.00 0.00 N ATOM 0 H LYS A 90 -3.032 14.695 -7.560 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.696 14.130 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.050 15.355 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.434 16.785 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.144 15.359 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.033 16.303 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.125 17.520 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.839 17.427 -6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.164 18.626 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.623 19.580 -6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.906 19.811 -8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.791 18.754 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.903 18.144 -9.060 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.550 16.373 -4.716 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.710 17.165 -3.502 1.00 0.00 C ATOM 1417 C ASN A 91 -2.216 16.394 -2.281 1.00 0.00 C ATOM 1418 O ASN A 91 -1.470 16.926 -1.459 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.176 17.557 -3.312 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.513 18.876 -3.981 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.708 19.427 -4.733 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.707 19.390 -3.709 1.00 0.00 N ATOM 0 H ASN A 91 -3.383 16.328 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.110 18.069 -3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.815 16.773 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.396 17.626 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.989 20.276 -4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.342 18.899 -3.080 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.638 15.139 -2.171 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.238 14.294 -1.052 1.00 0.00 C ATOM 1431 C ILE A 92 -1.019 13.450 -1.409 1.00 0.00 C ATOM 1432 O ILE A 92 -0.333 12.930 -0.530 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.382 13.363 -0.612 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.865 12.312 0.372 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -4.016 12.695 -1.823 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.204 12.906 1.597 1.00 0.00 C ATOM 0 H ILE A 92 -3.257 14.685 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.987 14.961 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.143 13.960 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.696 11.681 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.151 11.667 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.823 12.040 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.416 13.458 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.264 12.108 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.862 12.104 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.352 13.514 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.921 13.528 2.132 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.755 13.321 -2.705 1.00 0.00 N ATOM 1449 CA ALA A 93 0.384 12.543 -3.178 1.00 0.00 C ATOM 1450 C ALA A 93 1.701 13.222 -2.816 1.00 0.00 C ATOM 1451 O ALA A 93 2.674 12.558 -2.458 1.00 0.00 O ATOM 1452 CB ALA A 93 0.292 12.335 -4.683 1.00 0.00 C ATOM 0 H ALA A 93 -1.314 13.745 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 93 0.359 11.571 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.149 11.753 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.628 11.800 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.289 13.303 -5.185 1.00 0.00 H new ATOM 1458 N SER A 94 1.724 14.547 -2.911 1.00 0.00 N ATOM 1459 CA SER A 94 2.923 15.315 -2.598 1.00 0.00 C ATOM 1460 C SER A 94 3.286 15.177 -1.122 1.00 0.00 C ATOM 1461 O SER A 94 4.459 15.050 -0.768 1.00 0.00 O ATOM 1462 CB SER A 94 2.716 16.790 -2.948 1.00 0.00 C ATOM 1463 OG SER A 94 3.956 17.444 -3.156 1.00 0.00 O ATOM 0 H SER A 94 0.926 15.111 -3.202 1.00 0.00 H new ATOM 0 HA SER A 94 3.744 14.919 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.103 16.871 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.171 17.285 -2.144 1.00 0.00 H new ATOM 0 HG SER A 94 3.796 18.385 -3.380 1.00 0.00 H new ATOM 1469 N LYS A 95 2.272 15.202 -0.265 1.00 0.00 N ATOM 1470 CA LYS A 95 2.481 15.079 1.173 1.00 0.00 C ATOM 1471 C LYS A 95 3.261 13.810 1.502 1.00 0.00 C ATOM 1472 O LYS A 95 4.186 13.833 2.314 1.00 0.00 O ATOM 1473 CB LYS A 95 1.137 15.069 1.905 1.00 0.00 C ATOM 1474 CG LYS A 95 0.260 16.267 1.583 1.00 0.00 C ATOM 1475 CD LYS A 95 0.677 17.493 2.379 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.008 18.750 1.864 1.00 0.00 C ATOM 1477 NZ LYS A 95 0.650 19.986 2.371 1.00 0.00 N ATOM 0 H LYS A 95 1.296 15.306 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 95 3.063 15.939 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.600 14.156 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.318 15.040 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.319 16.487 0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.780 16.027 1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.430 17.347 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.758 17.616 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.007 18.751 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.055 18.744 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.155 20.821 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.614 19.997 3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.642 20.004 2.059 1.00 0.00 H new ATOM 1491 N ILE A 96 2.882 12.707 0.867 1.00 0.00 N ATOM 1492 CA ILE A 96 3.548 11.430 1.091 1.00 0.00 C ATOM 1493 C ILE A 96 4.949 11.427 0.488 1.00 0.00 C ATOM 1494 O ILE A 96 5.934 11.183 1.183 1.00 0.00 O ATOM 1495 CB ILE A 96 2.742 10.261 0.494 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.270 10.368 0.900 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.326 8.930 0.943 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.032 10.130 2.375 1.00 0.00 C ATOM 0 H ILE A 96 2.117 12.671 0.193 1.00 0.00 H new ATOM 0 HA ILE A 96 3.619 11.297 2.171 1.00 0.00 H new ATOM 0 HB ILE A 96 2.804 10.314 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.899 11.358 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.689 9.646 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.745 8.114 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.361 8.855 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.291 8.866 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.032 10.221 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.372 9.129 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.585 10.868 2.956 1.00 0.00 H new ATOM 1510 N ALA A 97 5.029 11.702 -0.810 1.00 0.00 N ATOM 1511 CA ALA A 97 6.309 11.735 -1.506 1.00 0.00 C ATOM 1512 C ALA A 97 7.300 12.647 -0.790 1.00 0.00 C ATOM 1513 O ALA A 97 8.512 12.506 -0.946 1.00 0.00 O ATOM 1514 CB ALA A 97 6.115 12.189 -2.945 1.00 0.00 C ATOM 0 H ALA A 97 4.222 11.905 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 97 6.720 10.726 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.079 12.209 -3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.448 11.496 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.678 13.188 -2.956 1.00 0.00 H new ATOM 1520 N ASN A 98 6.775 13.583 -0.005 1.00 0.00 N ATOM 1521 CA ASN A 98 7.614 14.519 0.734 1.00 0.00 C ATOM 1522 C ASN A 98 7.907 13.996 2.137 1.00 0.00 C ATOM 1523 O ASN A 98 9.030 13.591 2.436 1.00 0.00 O ATOM 1524 CB ASN A 98 6.935 15.887 0.819 1.00 0.00 C ATOM 1525 CG ASN A 98 7.870 16.966 1.330 1.00 0.00 C ATOM 1526 OD1 ASN A 98 8.270 16.957 2.494 1.00 0.00 O ATOM 1527 ND2 ASN A 98 8.224 17.904 0.458 1.00 0.00 N ATOM 0 H ASN A 98 5.773 13.713 0.135 1.00 0.00 H new ATOM 0 HA ASN A 98 8.558 14.622 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.565 16.168 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.069 15.819 1.477 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.851 18.656 0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.868 17.872 -0.497 1.00 0.00 H new ATOM 1534 N GLU A 99 6.889 14.009 2.992 1.00 0.00 N ATOM 1535 CA GLU A 99 7.039 13.536 4.363 1.00 0.00 C ATOM 1536 C GLU A 99 7.959 12.320 4.422 1.00 0.00 C ATOM 1537 O GLU A 99 8.643 12.093 5.421 1.00 0.00 O ATOM 1538 CB GLU A 99 5.673 13.185 4.956 1.00 0.00 C ATOM 1539 CG GLU A 99 4.897 14.392 5.456 1.00 0.00 C ATOM 1540 CD GLU A 99 3.480 14.045 5.869 1.00 0.00 C ATOM 1541 OE1 GLU A 99 2.585 14.074 4.998 1.00 0.00 O ATOM 1542 OE2 GLU A 99 3.266 13.746 7.062 1.00 0.00 O ATOM 0 H GLU A 99 5.953 14.341 2.760 1.00 0.00 H new ATOM 0 HA GLU A 99 7.488 14.337 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.080 12.670 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.813 12.487 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.422 14.830 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.868 15.150 4.673 1.00 0.00 H new ATOM 1549 N LEU A 100 7.970 11.541 3.346 1.00 0.00 N ATOM 1550 CA LEU A 100 8.806 10.348 3.275 1.00 0.00 C ATOM 1551 C LEU A 100 10.284 10.711 3.377 1.00 0.00 C ATOM 1552 O LEU A 100 10.872 11.235 2.431 1.00 0.00 O ATOM 1553 CB LEU A 100 8.543 9.595 1.969 1.00 0.00 C ATOM 1554 CG LEU A 100 7.353 8.635 1.976 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.278 7.868 0.664 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.450 7.674 3.152 1.00 0.00 C ATOM 0 H LEU A 100 7.410 11.714 2.511 1.00 0.00 H new ATOM 0 HA LEU A 100 8.551 9.705 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.389 10.327 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.439 9.030 1.712 1.00 0.00 H new ATOM 0 HG LEU A 100 6.440 9.220 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.425 7.190 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.161 8.570 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.194 7.294 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.595 6.998 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.371 7.096 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.454 8.239 4.084 1.00 0.00 H new ATOM 1568 N LYS A 101 10.879 10.426 4.530 1.00 0.00 N ATOM 1569 CA LYS A 101 12.290 10.718 4.756 1.00 0.00 C ATOM 1570 C LYS A 101 13.164 9.541 4.335 1.00 0.00 C ATOM 1571 O LYS A 101 14.076 9.141 5.059 1.00 0.00 O ATOM 1572 CB LYS A 101 12.534 11.046 6.231 1.00 0.00 C ATOM 1573 CG LYS A 101 12.080 12.440 6.627 1.00 0.00 C ATOM 1574 CD LYS A 101 12.085 12.621 8.136 1.00 0.00 C ATOM 1575 CE LYS A 101 10.748 12.234 8.749 1.00 0.00 C ATOM 1576 NZ LYS A 101 10.666 12.613 10.186 1.00 0.00 N ATOM 0 H LYS A 101 10.406 9.993 5.323 1.00 0.00 H new ATOM 0 HA LYS A 101 12.558 11.582 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.013 10.314 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.598 10.945 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.735 13.181 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.076 12.620 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.877 12.013 8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.310 13.660 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.942 12.720 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.600 11.159 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.740 12.332 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.419 12.130 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.782 13.642 10.281 1.00 0.00 H new ATOM 1590 N LEU A 102 12.881 8.991 3.159 1.00 0.00 N ATOM 1591 CA LEU A 102 13.642 7.860 2.640 1.00 0.00 C ATOM 1592 C LEU A 102 14.890 8.337 1.904 1.00 0.00 C ATOM 1593 O LEU A 102 15.168 9.534 1.843 1.00 0.00 O ATOM 1594 CB LEU A 102 12.772 7.021 1.703 1.00 0.00 C ATOM 1595 CG LEU A 102 11.342 6.754 2.174 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.482 6.265 1.019 1.00 0.00 C ATOM 1597 CD2 LEU A 102 11.335 5.743 3.311 1.00 0.00 C ATOM 0 H LEU A 102 12.130 9.310 2.547 1.00 0.00 H new ATOM 0 HA LEU A 102 13.953 7.244 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.727 7.522 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.265 6.062 1.543 1.00 0.00 H new ATOM 0 HG LEU A 102 10.921 7.689 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.468 6.080 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.460 7.022 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.901 5.341 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.309 5.565 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.775 4.807 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.916 6.132 4.147 1.00 0.00 H new TER 1609 LEU A 102