USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 931 hydrogens (64 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 30 GLN : amide:sc= -4.85 K(o=-9.2,f=-13!) USER MOD Set 1.2: A 32 ASN : amide:sc= -1.62 K(o=-9.2,f=-17!) USER MOD Set 1.3: A 41 GLN : amide:sc= -2.71 K(o=-9.2,f=-15!) USER MOD Single : A 1 MET CE :methyl -150:sc= 0 (180deg=-0.173) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0 (180deg=-0.178) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 5 THR OG1 : rot -170:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -0.154 (180deg=-0.785) USER MOD Single : A 53 GLN : amide:sc= -1.27! X(o=-1.3!,f=-0.82) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 66:sc= 0.265 USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.719 USER MOD Single : A 70 MET CE :methyl -152:sc= -9.81! (180deg=-13.5!) USER MOD Single : A 74 SER OG : rot 110:sc= -0.571 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.69 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= 0.206 K(o=0.21,f=-0.75) USER MOD Single : A 107 HIS : no HE2:sc= -0.671 K(o=-0.67,f=-2.6!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HE2:sc= -0.145 K(o=-0.14,f=-2.4) USER MOD Single : A 110 HIS : no HD1:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.049) USER MOD Single : A 201 PLM O1 : rot 130:sc= -1.72 USER MOD Single : A 202 PLM O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.793 1.898 -0.060 1.00 30.34 N ATOM 2 CA MET A 1 2.328 0.625 -0.600 1.00 43.23 C ATOM 3 C MET A 1 3.439 -0.419 -0.563 1.00 31.55 C ATOM 4 O MET A 1 4.580 -0.139 -0.933 1.00 14.10 O ATOM 5 CB MET A 1 1.831 0.807 -2.036 1.00 53.32 C ATOM 6 CG MET A 1 2.779 1.612 -2.910 1.00 61.53 C ATOM 7 SD MET A 1 2.348 1.531 -4.659 1.00 43.22 S ATOM 8 CE MET A 1 3.932 1.892 -5.414 1.00 4.20 C ATOM 0 H1 MET A 1 2.108 2.645 -0.293 1.00 30.34 H new ATOM 0 H2 MET A 1 2.887 1.823 0.973 1.00 30.34 H new ATOM 0 H3 MET A 1 3.717 2.134 -0.475 1.00 30.34 H new ATOM 0 HA MET A 1 1.503 0.275 0.021 1.00 43.23 H new ATOM 0 HB2 MET A 1 1.679 -0.174 -2.486 1.00 53.32 H new ATOM 0 HB3 MET A 1 0.860 1.302 -2.016 1.00 53.32 H new ATOM 0 HG2 MET A 1 2.771 2.653 -2.586 1.00 61.53 H new ATOM 0 HG3 MET A 1 3.795 1.243 -2.773 1.00 61.53 H new ATOM 0 HE1 MET A 1 3.774 2.392 -6.370 1.00 4.20 H new ATOM 0 HE2 MET A 1 4.509 2.542 -4.756 1.00 4.20 H new ATOM 0 HE3 MET A 1 4.478 0.963 -5.576 1.00 4.20 H new ATOM 18 N SER A 2 3.099 -1.623 -0.115 1.00 23.13 N ATOM 19 CA SER A 2 4.069 -2.708 -0.026 1.00 70.22 C ATOM 20 C SER A 2 3.729 -3.823 -1.011 1.00 60.42 C ATOM 21 O SER A 2 2.874 -3.659 -1.882 1.00 33.03 O ATOM 22 CB SER A 2 4.114 -3.266 1.398 1.00 14.01 C ATOM 23 OG SER A 2 5.411 -3.735 1.721 1.00 44.23 O ATOM 0 H SER A 2 2.159 -1.872 0.192 1.00 23.13 H new ATOM 0 HA SER A 2 5.050 -2.307 -0.282 1.00 70.22 H new ATOM 0 HB2 SER A 2 3.818 -2.491 2.105 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.395 -4.079 1.496 1.00 14.01 H new ATOM 0 HG SER A 2 5.414 -4.085 2.636 1.00 44.23 H new ATOM 29 N VAL A 3 4.405 -4.958 -0.866 1.00 5.10 N ATOM 30 CA VAL A 3 4.175 -6.102 -1.740 1.00 74.43 C ATOM 31 C VAL A 3 2.687 -6.415 -1.856 1.00 53.33 C ATOM 32 O VAL A 3 2.184 -6.688 -2.945 1.00 14.34 O ATOM 33 CB VAL A 3 4.914 -7.355 -1.233 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.610 -8.551 -2.121 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.412 -7.098 -1.164 1.00 71.40 C ATOM 0 H VAL A 3 5.117 -5.110 -0.151 1.00 5.10 H new ATOM 0 HA VAL A 3 4.565 -5.833 -2.722 1.00 74.43 H new ATOM 0 HB VAL A 3 4.561 -7.582 -0.227 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.141 -9.426 -1.747 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.538 -8.746 -2.114 1.00 62.02 H new ATOM 0 HG13 VAL A 3 4.933 -8.339 -3.140 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.919 -7.993 -0.804 1.00 71.40 H new ATOM 0 HG22 VAL A 3 6.784 -6.845 -2.157 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.608 -6.271 -0.482 1.00 71.40 H new ATOM 45 N GLU A 4 1.990 -6.371 -0.726 1.00 43.03 N ATOM 46 CA GLU A 4 0.559 -6.651 -0.701 1.00 11.43 C ATOM 47 C GLU A 4 -0.175 -5.829 -1.757 1.00 22.33 C ATOM 48 O GLU A 4 -1.164 -6.279 -2.336 1.00 35.51 O ATOM 49 CB GLU A 4 -0.018 -6.352 0.684 1.00 73.40 C ATOM 50 CG GLU A 4 0.116 -4.897 1.099 1.00 34.13 C ATOM 51 CD GLU A 4 -0.137 -4.687 2.579 1.00 73.21 C ATOM 52 OE1 GLU A 4 -1.109 -3.981 2.920 1.00 60.22 O ATOM 53 OE2 GLU A 4 0.638 -5.226 3.396 1.00 42.52 O1- ATOM 0 H GLU A 4 2.392 -6.144 0.184 1.00 43.03 H new ATOM 0 HA GLU A 4 0.418 -7.708 -0.925 1.00 11.43 H new ATOM 0 HB2 GLU A 4 -1.072 -6.629 0.696 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.485 -6.979 1.421 1.00 73.40 H new ATOM 0 HG2 GLU A 4 1.117 -4.543 0.852 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -0.587 -4.293 0.525 1.00 34.13 H new ATOM 60 N THR A 5 0.317 -4.619 -2.003 1.00 74.04 N ATOM 61 CA THR A 5 -0.290 -3.732 -2.987 1.00 61.14 C ATOM 62 C THR A 5 0.158 -4.088 -4.399 1.00 11.11 C ATOM 63 O THR A 5 -0.610 -3.965 -5.354 1.00 53.10 O ATOM 64 CB THR A 5 0.059 -2.258 -2.706 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.089 -1.977 -1.310 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.834 -1.328 -3.513 1.00 71.31 C ATOM 0 H THR A 5 1.135 -4.231 -1.534 1.00 74.04 H new ATOM 0 HA THR A 5 -1.369 -3.864 -2.907 1.00 61.14 H new ATOM 0 HB THR A 5 1.094 -2.090 -3.002 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.021 -1.011 -1.162 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.569 -0.293 -3.298 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.697 -1.525 -4.576 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.876 -1.500 -3.243 1.00 71.31 H new ATOM 74 N ILE A 6 1.405 -4.531 -4.525 1.00 14.44 N ATOM 75 CA ILE A 6 1.954 -4.908 -5.822 1.00 13.03 C ATOM 76 C ILE A 6 1.307 -6.187 -6.343 1.00 73.35 C ATOM 77 O ILE A 6 0.824 -6.234 -7.476 1.00 33.51 O ATOM 78 CB ILE A 6 3.479 -5.109 -5.751 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.119 -4.018 -4.891 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.078 -5.110 -7.149 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.679 -2.619 -5.263 1.00 64.21 C ATOM 0 H ILE A 6 2.054 -4.638 -3.745 1.00 14.44 H new ATOM 0 HA ILE A 6 1.735 -4.089 -6.507 1.00 13.03 H new ATOM 0 HB ILE A 6 3.683 -6.075 -5.289 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.874 -4.201 -3.845 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.203 -4.085 -4.981 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.157 -5.253 -7.083 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.640 -5.920 -7.732 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.868 -4.158 -7.636 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.172 -1.897 -4.612 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.948 -2.416 -6.300 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.599 -2.534 -5.146 1.00 64.21 H new ATOM 93 N ILE A 7 1.299 -7.221 -5.509 1.00 51.41 N ATOM 94 CA ILE A 7 0.708 -8.499 -5.884 1.00 0.02 C ATOM 95 C ILE A 7 -0.800 -8.375 -6.070 1.00 53.31 C ATOM 96 O ILE A 7 -1.384 -9.028 -6.933 1.00 54.10 O ATOM 97 CB ILE A 7 0.996 -9.584 -4.829 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.503 -9.822 -4.709 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.278 -10.876 -5.188 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.150 -10.267 -6.002 1.00 52.51 C ATOM 0 H ILE A 7 1.695 -7.199 -4.569 1.00 51.41 H new ATOM 0 HA ILE A 7 1.165 -8.792 -6.829 1.00 0.02 H new ATOM 0 HB ILE A 7 0.623 -9.240 -3.864 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.982 -8.903 -4.370 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.684 -10.577 -3.943 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.491 -11.633 -4.433 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.796 -10.696 -5.228 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.624 -11.226 -6.161 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.218 -10.416 -5.842 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.698 -11.202 -6.332 1.00 52.51 H new ATOM 0 HD13 ILE A 7 3.001 -9.503 -6.765 1.00 52.51 H new ATOM 112 N GLU A 8 -1.424 -7.532 -5.254 1.00 35.43 N ATOM 113 CA GLU A 8 -2.864 -7.320 -5.329 1.00 71.25 C ATOM 114 C GLU A 8 -3.293 -6.997 -6.758 1.00 71.52 C ATOM 115 O GLU A 8 -4.362 -7.413 -7.206 1.00 32.54 O ATOM 116 CB GLU A 8 -3.287 -6.189 -4.390 1.00 71.25 C ATOM 117 CG GLU A 8 -3.923 -6.676 -3.098 1.00 15.12 C ATOM 118 CD GLU A 8 -5.412 -6.926 -3.239 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.813 -8.108 -3.274 1.00 75.25 O ATOM 120 OE2 GLU A 8 -6.175 -5.940 -3.314 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.954 -6.984 -4.533 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.357 -8.242 -5.019 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.414 -5.582 -4.149 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -3.992 -5.541 -4.910 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.432 -7.596 -2.780 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.755 -5.938 -2.314 1.00 15.12 H new ATOM 127 N ARG A 9 -2.452 -6.252 -7.467 1.00 14.15 N ATOM 128 CA ARG A 9 -2.744 -5.870 -8.844 1.00 33.34 C ATOM 129 C ARG A 9 -2.507 -7.040 -9.793 1.00 22.34 C ATOM 130 O ARG A 9 -3.192 -7.178 -10.808 1.00 52.23 O ATOM 131 CB ARG A 9 -1.879 -4.679 -9.260 1.00 41.22 C ATOM 132 CG ARG A 9 -2.681 -3.492 -9.766 1.00 63.41 C ATOM 133 CD ARG A 9 -2.647 -2.334 -8.780 1.00 44.44 C ATOM 134 NE ARG A 9 -2.634 -1.039 -9.455 1.00 1.20 N ATOM 135 CZ ARG A 9 -3.724 -0.444 -9.925 1.00 43.43 C ATOM 136 NH1 ARG A 9 -4.909 -1.024 -9.794 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -3.630 0.733 -10.529 1.00 51.24 N ATOM 0 H ARG A 9 -1.563 -5.901 -7.111 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.794 -5.584 -8.901 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.277 -4.363 -8.408 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.187 -4.998 -10.039 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.282 -3.165 -10.726 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.714 -3.796 -9.936 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -3.515 -2.392 -8.124 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -1.763 -2.422 -8.148 1.00 44.44 H new ATOM 0 HE ARG A 9 -1.738 -0.565 -9.572 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -4.985 -1.930 -9.331 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -5.745 -0.564 -10.156 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -2.720 1.182 -10.633 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -4.468 1.189 -10.890 1.00 51.24 H new ATOM 151 N ILE A 10 -1.534 -7.880 -9.459 1.00 40.41 N ATOM 152 CA ILE A 10 -1.207 -9.038 -10.281 1.00 14.34 C ATOM 153 C ILE A 10 -2.293 -10.104 -10.185 1.00 62.03 C ATOM 154 O ILE A 10 -2.874 -10.508 -11.193 1.00 74.00 O ATOM 155 CB ILE A 10 0.142 -9.658 -9.871 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.295 -8.740 -10.283 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.304 -11.035 -10.498 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.564 -8.971 -9.492 1.00 13.02 C ATOM 0 H ILE A 10 -0.957 -7.780 -8.624 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.137 -8.684 -11.310 1.00 14.34 H new ATOM 0 HB ILE A 10 0.160 -9.770 -8.787 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.505 -8.887 -11.342 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.984 -7.702 -10.161 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.262 -11.460 -10.199 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.503 -11.686 -10.161 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.269 -10.947 -11.584 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.338 -8.286 -9.838 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.370 -8.795 -8.434 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.899 -9.998 -9.634 1.00 13.02 H new ATOM 170 N LYS A 11 -2.565 -10.556 -8.966 1.00 61.13 N ATOM 171 CA LYS A 11 -3.584 -11.573 -8.735 1.00 50.23 C ATOM 172 C LYS A 11 -4.893 -11.197 -9.423 1.00 62.52 C ATOM 173 O LYS A 11 -5.593 -12.057 -9.957 1.00 43.22 O ATOM 174 CB LYS A 11 -3.818 -11.759 -7.234 1.00 4.34 C ATOM 175 CG LYS A 11 -3.895 -10.451 -6.465 1.00 75.22 C ATOM 176 CD LYS A 11 -5.061 -10.445 -5.491 1.00 21.30 C ATOM 177 CE LYS A 11 -6.192 -9.554 -5.983 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.527 -10.090 -5.597 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.093 -10.234 -8.121 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.228 -12.512 -9.159 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.744 -12.314 -7.085 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.013 -12.367 -6.822 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -2.964 -10.293 -5.921 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.000 -9.622 -7.165 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.429 -11.462 -5.356 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.720 -10.098 -4.516 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -6.070 -8.552 -5.572 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -6.137 -9.463 -7.068 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.271 -9.455 -5.950 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.654 -11.036 -6.010 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.589 -10.153 -4.561 1.00 13.21 H new ATOM 192 N ALA A 12 -5.216 -9.908 -9.407 1.00 55.14 N ATOM 193 CA ALA A 12 -6.438 -9.419 -10.031 1.00 34.34 C ATOM 194 C ALA A 12 -6.381 -9.575 -11.548 1.00 55.24 C ATOM 195 O ALA A 12 -7.385 -9.882 -12.188 1.00 10.40 O ATOM 196 CB ALA A 12 -6.677 -7.964 -9.657 1.00 45.33 C ATOM 0 H ALA A 12 -4.648 -9.184 -8.968 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.270 -10.019 -9.661 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.594 -7.612 -10.131 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.772 -7.877 -8.575 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.837 -7.358 -9.997 1.00 45.33 H new ATOM 202 N ARG A 13 -5.198 -9.359 -12.115 1.00 1.42 N ATOM 203 CA ARG A 13 -5.011 -9.474 -13.555 1.00 42.34 C ATOM 204 C ARG A 13 -4.943 -10.937 -13.981 1.00 75.41 C ATOM 205 O ARG A 13 -5.500 -11.322 -15.009 1.00 71.34 O ATOM 206 CB ARG A 13 -3.733 -8.748 -13.984 1.00 55.21 C ATOM 207 CG ARG A 13 -3.496 -8.768 -15.486 1.00 12.20 C ATOM 208 CD ARG A 13 -4.657 -8.140 -16.242 1.00 25.52 C ATOM 209 NE ARG A 13 -4.987 -6.812 -15.731 1.00 14.11 N ATOM 210 CZ ARG A 13 -6.013 -6.091 -16.170 1.00 35.11 C ATOM 211 NH1 ARG A 13 -6.803 -6.565 -17.122 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -6.249 -4.890 -15.656 1.00 54.31 N ATOM 0 H ARG A 13 -4.356 -9.104 -11.599 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.868 -9.011 -14.045 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.782 -7.713 -13.646 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.880 -9.206 -13.484 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.576 -8.230 -15.717 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.357 -9.796 -15.820 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -4.405 -8.069 -17.300 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -5.532 -8.786 -16.165 1.00 25.52 H new ATOM 0 HE ARG A 13 -4.398 -6.417 -14.998 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -6.625 -7.487 -17.521 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -7.590 -6.008 -17.456 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -5.643 -4.520 -14.924 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -7.037 -4.337 -15.993 1.00 54.31 H new ATOM 226 N VAL A 14 -4.258 -11.750 -13.182 1.00 22.42 N ATOM 227 CA VAL A 14 -4.118 -13.171 -13.475 1.00 65.13 C ATOM 228 C VAL A 14 -5.473 -13.809 -13.763 1.00 11.41 C ATOM 229 O VAL A 14 -5.648 -14.490 -14.772 1.00 11.41 O ATOM 230 CB VAL A 14 -3.448 -13.921 -12.308 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.159 -15.364 -12.696 1.00 11.02 C ATOM 232 CG2 VAL A 14 -2.173 -13.210 -11.881 1.00 61.14 C ATOM 0 H VAL A 14 -3.791 -11.448 -12.327 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.486 -13.251 -14.360 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.134 -13.928 -11.461 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.686 -15.878 -11.859 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.092 -15.867 -12.950 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.491 -15.382 -13.557 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.712 -13.753 -11.056 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.480 -13.170 -12.721 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.412 -12.196 -11.560 1.00 61.14 H new ATOM 242 N GLY A 15 -6.430 -13.580 -12.869 1.00 21.44 N ATOM 243 CA GLY A 15 -7.758 -14.139 -13.045 1.00 52.30 C ATOM 244 C GLY A 15 -8.655 -13.250 -13.882 1.00 73.25 C ATOM 245 O GLY A 15 -9.869 -13.449 -13.929 1.00 42.21 O ATOM 0 H GLY A 15 -6.310 -13.018 -12.027 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.677 -15.117 -13.519 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.216 -14.295 -12.068 1.00 52.30 H new ATOM 249 N ALA A 16 -8.058 -12.264 -14.544 1.00 11.20 N ATOM 250 CA ALA A 16 -8.810 -11.341 -15.384 1.00 51.25 C ATOM 251 C ALA A 16 -8.371 -11.441 -16.841 1.00 3.23 C ATOM 252 O ALA A 16 -8.905 -10.752 -17.709 1.00 4.14 O ATOM 253 CB ALA A 16 -8.647 -9.915 -14.878 1.00 14.21 C ATOM 0 H ALA A 16 -7.054 -12.084 -14.514 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.863 -11.616 -15.330 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.214 -9.236 -15.515 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.017 -9.847 -13.855 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.593 -9.639 -14.901 1.00 14.21 H new ATOM 259 N VAL A 17 -7.395 -12.304 -17.102 1.00 61.40 N ATOM 260 CA VAL A 17 -6.884 -12.495 -18.454 1.00 25.41 C ATOM 261 C VAL A 17 -8.019 -12.749 -19.439 1.00 62.03 C ATOM 262 O VAL A 17 -8.961 -13.483 -19.140 1.00 65.32 O ATOM 263 CB VAL A 17 -5.890 -13.670 -18.518 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.613 -14.057 -19.963 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.599 -13.315 -17.795 1.00 53.34 C ATOM 0 H VAL A 17 -6.942 -12.882 -16.395 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.366 -11.576 -18.730 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.336 -14.529 -18.016 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.909 -14.889 -19.988 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.544 -14.355 -20.445 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.187 -13.205 -20.493 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.908 -14.156 -17.850 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.146 -12.442 -18.266 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.816 -13.092 -16.751 1.00 53.34 H new ATOM 275 N ASP A 18 -7.922 -12.140 -20.615 1.00 53.03 N ATOM 276 CA ASP A 18 -8.940 -12.301 -21.646 1.00 53.12 C ATOM 277 C ASP A 18 -8.461 -13.251 -22.740 1.00 33.02 C ATOM 278 O ASP A 18 -7.282 -13.288 -23.091 1.00 11.13 O ATOM 279 CB ASP A 18 -9.300 -10.945 -22.255 1.00 41.05 C ATOM 280 CG ASP A 18 -10.284 -10.170 -21.400 1.00 3.44 C ATOM 281 OD1 ASP A 18 -11.417 -9.931 -21.867 1.00 41.35 O ATOM 282 OD2 ASP A 18 -9.921 -9.803 -20.264 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.148 -11.530 -20.878 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.828 -12.729 -21.180 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -8.392 -10.355 -22.384 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -9.726 -11.097 -23.247 1.00 41.05 H new ATOM 287 N PRO A 19 -9.396 -14.041 -23.289 1.00 61.33 N ATOM 288 CA PRO A 19 -9.092 -15.006 -24.350 1.00 24.45 C ATOM 289 C PRO A 19 -8.747 -14.328 -25.671 1.00 52.45 C ATOM 290 O PRO A 19 -8.291 -14.976 -26.612 1.00 60.01 O ATOM 291 CB PRO A 19 -10.389 -15.807 -24.482 1.00 44.51 C ATOM 292 CG PRO A 19 -11.455 -14.886 -23.998 1.00 61.04 C ATOM 293 CD PRO A 19 -10.821 -14.052 -22.919 1.00 65.12 C ATOM 0 HA PRO A 19 -8.221 -15.615 -24.109 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.565 -16.108 -25.515 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.353 -16.719 -23.886 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.827 -14.259 -24.808 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.307 -15.444 -23.610 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.237 -13.045 -22.893 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.976 -14.487 -21.932 1.00 65.12 H new ATOM 301 N ASN A 20 -8.970 -13.019 -25.734 1.00 14.21 N ATOM 302 CA ASN A 20 -8.682 -12.252 -26.941 1.00 51.20 C ATOM 303 C ASN A 20 -7.185 -11.993 -27.078 1.00 32.21 C ATOM 304 O ASN A 20 -6.648 -11.967 -28.184 1.00 25.02 O ATOM 305 CB ASN A 20 -9.440 -10.923 -26.919 1.00 64.43 C ATOM 306 CG ASN A 20 -10.613 -10.910 -27.880 1.00 2.35 C ATOM 307 OD1 ASN A 20 -10.640 -10.131 -28.833 1.00 4.13 O ATOM 308 ND2 ASN A 20 -11.590 -11.775 -27.634 1.00 52.44 N ATOM 0 H ASN A 20 -9.349 -12.468 -24.964 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.011 -12.837 -27.800 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -9.800 -10.730 -25.908 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -8.756 -10.114 -27.174 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -12.405 -11.812 -28.247 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -11.526 -12.402 -26.832 1.00 52.44 H new ATOM 315 N GLY A 21 -6.516 -11.804 -25.944 1.00 50.52 N ATOM 316 CA GLY A 21 -5.088 -11.551 -25.959 1.00 62.51 C ATOM 317 C GLY A 21 -4.274 -12.827 -26.051 1.00 11.23 C ATOM 318 O GLY A 21 -3.968 -13.316 -27.139 1.00 25.24 O ATOM 0 H GLY A 21 -6.938 -11.822 -25.016 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -4.845 -10.907 -26.804 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -4.808 -11.010 -25.055 1.00 62.51 H new ATOM 322 N PRO A 22 -3.907 -13.385 -24.889 1.00 62.45 N ATOM 323 CA PRO A 22 -3.118 -14.618 -24.817 1.00 23.24 C ATOM 324 C PRO A 22 -3.909 -15.841 -25.267 1.00 51.52 C ATOM 325 O PRO A 22 -4.999 -15.715 -25.826 1.00 44.23 O ATOM 326 CB PRO A 22 -2.764 -14.726 -23.331 1.00 44.15 C ATOM 327 CG PRO A 22 -3.842 -13.975 -22.629 1.00 54.42 C ATOM 328 CD PRO A 22 -4.236 -12.856 -23.554 1.00 52.42 C ATOM 0 HA PRO A 22 -2.250 -14.585 -25.475 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.730 -15.766 -23.007 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.784 -14.296 -23.125 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.693 -14.622 -22.415 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.489 -13.586 -21.674 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.296 -12.617 -23.467 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -3.684 -11.942 -23.337 1.00 52.42 H new ATOM 336 N ARG A 23 -3.356 -17.023 -25.018 1.00 3.14 N ATOM 337 CA ARG A 23 -4.011 -18.268 -25.399 1.00 53.14 C ATOM 338 C ARG A 23 -3.685 -19.381 -24.407 1.00 53.31 C ATOM 339 O ARG A 23 -2.774 -19.249 -23.588 1.00 11.32 O ATOM 340 CB ARG A 23 -3.582 -18.686 -26.807 1.00 65.52 C ATOM 341 CG ARG A 23 -4.131 -17.786 -27.903 1.00 43.32 C ATOM 342 CD ARG A 23 -5.652 -17.746 -27.880 1.00 4.23 C ATOM 343 NE ARG A 23 -6.228 -18.124 -29.168 1.00 13.13 N ATOM 344 CZ ARG A 23 -7.468 -17.819 -29.536 1.00 63.53 C ATOM 345 NH1 ARG A 23 -8.256 -17.135 -28.718 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.920 -18.199 -30.724 1.00 32.33 N ATOM 0 H ARG A 23 -2.456 -17.145 -24.554 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.088 -18.099 -25.389 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.493 -18.687 -26.861 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.911 -19.709 -26.989 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.737 -16.777 -27.779 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.790 -18.144 -28.874 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.021 -18.419 -27.106 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -5.984 -16.742 -27.614 1.00 4.23 H new ATOM 0 HE ARG A 23 -5.647 -18.651 -29.820 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.911 -16.842 -27.804 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -9.207 -16.902 -29.003 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.316 -18.725 -31.355 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -8.872 -17.965 -31.006 1.00 32.33 H new ATOM 360 N LYS A 24 -4.434 -20.475 -24.484 1.00 71.13 N ATOM 361 CA LYS A 24 -4.225 -21.611 -23.593 1.00 41.04 C ATOM 362 C LYS A 24 -2.751 -21.997 -23.541 1.00 22.22 C ATOM 363 O LYS A 24 -2.229 -22.620 -24.467 1.00 21.24 O ATOM 364 CB LYS A 24 -5.061 -22.806 -24.054 1.00 44.53 C ATOM 365 CG LYS A 24 -6.455 -22.843 -23.452 1.00 62.53 C ATOM 366 CD LYS A 24 -7.448 -23.518 -24.383 1.00 63.55 C ATOM 367 CE LYS A 24 -8.221 -22.499 -25.206 1.00 34.31 C ATOM 368 NZ LYS A 24 -9.607 -22.310 -24.695 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.192 -20.600 -25.155 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.541 -21.319 -22.591 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.144 -22.783 -25.141 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.538 -23.726 -23.794 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.427 -23.375 -22.501 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.787 -21.827 -23.239 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -6.919 -24.199 -25.049 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -8.145 -24.120 -23.799 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -7.695 -21.545 -25.190 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.258 -22.825 -26.245 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -10.101 -21.608 -25.282 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -10.118 -23.215 -24.734 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -9.572 -21.975 -23.711 1.00 63.14 H new ATOM 382 N VAL A 25 -2.085 -21.626 -22.453 1.00 32.25 N ATOM 383 CA VAL A 25 -0.670 -21.936 -22.279 1.00 72.11 C ATOM 384 C VAL A 25 -0.463 -22.940 -21.150 1.00 51.12 C ATOM 385 O VAL A 25 -1.403 -23.293 -20.439 1.00 43.45 O ATOM 386 CB VAL A 25 0.150 -20.667 -21.980 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.204 -19.765 -23.204 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.432 -19.925 -20.788 1.00 3.14 C ATOM 0 H VAL A 25 -2.502 -21.110 -21.678 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.323 -22.371 -23.216 1.00 72.11 H new ATOM 0 HB VAL A 25 1.169 -20.965 -21.732 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.787 -18.874 -22.974 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.671 -20.301 -24.030 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.808 -19.474 -23.486 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.160 -19.031 -20.591 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.461 -19.638 -21.005 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.413 -20.573 -19.912 1.00 3.14 H new ATOM 398 N LEU A 26 0.775 -23.395 -20.992 1.00 52.13 N ATOM 399 CA LEU A 26 1.108 -24.358 -19.948 1.00 53.31 C ATOM 400 C LEU A 26 2.433 -24.003 -19.281 1.00 41.52 C ATOM 401 O LEU A 26 3.380 -23.583 -19.945 1.00 23.31 O ATOM 402 CB LEU A 26 1.181 -25.769 -20.534 1.00 34.22 C ATOM 403 CG LEU A 26 2.355 -26.047 -21.472 1.00 5.53 C ATOM 404 CD1 LEU A 26 3.277 -27.101 -20.879 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.853 -26.485 -22.841 1.00 1.25 C ATOM 0 H LEU A 26 1.564 -23.113 -21.573 1.00 52.13 H new ATOM 0 HA LEU A 26 0.323 -24.324 -19.193 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.224 -26.481 -19.710 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.255 -25.964 -21.076 1.00 34.22 H new ATOM 0 HG LEU A 26 2.923 -25.124 -21.593 1.00 5.53 H new ATOM 0 HD11 LEU A 26 4.106 -27.285 -21.562 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.665 -26.749 -19.923 1.00 50.53 H new ATOM 0 HD13 LEU A 26 2.721 -28.026 -20.726 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.703 -26.678 -23.495 1.00 1.25 H new ATOM 0 HD22 LEU A 26 1.260 -27.394 -22.738 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.236 -25.697 -23.272 1.00 1.25 H new ATOM 417 N GLY A 27 2.493 -24.177 -17.964 1.00 11.13 N ATOM 418 CA GLY A 27 3.706 -23.872 -17.231 1.00 74.50 C ATOM 419 C GLY A 27 3.430 -23.156 -15.923 1.00 72.22 C ATOM 420 O GLY A 27 2.274 -22.967 -15.544 1.00 33.15 O ATOM 0 H GLY A 27 1.723 -24.524 -17.393 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.246 -24.797 -17.028 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.355 -23.253 -17.850 1.00 74.50 H new ATOM 424 N VAL A 28 4.492 -22.758 -15.232 1.00 0.31 N ATOM 425 CA VAL A 28 4.358 -22.059 -13.959 1.00 11.43 C ATOM 426 C VAL A 28 5.454 -21.013 -13.788 1.00 12.21 C ATOM 427 O VAL A 28 6.545 -21.144 -14.345 1.00 72.43 O ATOM 428 CB VAL A 28 4.410 -23.039 -12.772 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.754 -22.427 -11.544 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.744 -24.356 -13.141 1.00 65.50 C ATOM 0 H VAL A 28 5.455 -22.907 -15.532 1.00 0.31 H new ATOM 0 HA VAL A 28 3.386 -21.565 -13.971 1.00 11.43 H new ATOM 0 HB VAL A 28 5.455 -23.239 -12.534 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.801 -23.134 -10.716 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.278 -21.512 -11.269 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.712 -22.196 -11.765 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.789 -25.037 -12.291 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.702 -24.175 -13.406 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.263 -24.800 -13.990 1.00 65.50 H new ATOM 440 N PHE A 29 5.157 -19.974 -13.014 1.00 21.24 N ATOM 441 CA PHE A 29 6.117 -18.905 -12.769 1.00 24.31 C ATOM 442 C PHE A 29 6.428 -18.782 -11.280 1.00 74.32 C ATOM 443 O PHE A 29 5.555 -18.984 -10.436 1.00 14.41 O ATOM 444 CB PHE A 29 5.578 -17.575 -13.300 1.00 62.43 C ATOM 445 CG PHE A 29 5.348 -17.571 -14.784 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.239 -16.942 -15.326 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.242 -18.198 -15.639 1.00 0.33 C ATOM 448 CE1 PHE A 29 4.025 -16.936 -16.691 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.034 -18.194 -17.005 1.00 64.12 C ATOM 450 CZ PHE A 29 4.923 -17.565 -17.532 1.00 52.54 C ATOM 0 H PHE A 29 4.259 -19.850 -12.546 1.00 21.24 H new ATOM 0 HA PHE A 29 7.039 -19.152 -13.295 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.640 -17.344 -12.794 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.280 -16.781 -13.047 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.533 -16.450 -14.673 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.110 -18.695 -15.233 1.00 0.33 H new ATOM 0 HE1 PHE A 29 3.157 -16.440 -17.100 1.00 43.11 H new ATOM 0 HE2 PHE A 29 6.740 -18.683 -17.660 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.757 -17.565 -18.599 1.00 52.54 H new ATOM 460 N GLN A 30 7.675 -18.450 -10.967 1.00 73.10 N ATOM 461 CA GLN A 30 8.102 -18.301 -9.580 1.00 2.03 C ATOM 462 C GLN A 30 8.674 -16.910 -9.333 1.00 32.14 C ATOM 463 O GLN A 30 9.826 -16.632 -9.668 1.00 10.04 O ATOM 464 CB GLN A 30 9.144 -19.364 -9.228 1.00 11.10 C ATOM 465 CG GLN A 30 9.485 -19.414 -7.748 1.00 21.52 C ATOM 466 CD GLN A 30 8.253 -19.500 -6.868 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.321 -20.252 -7.156 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.243 -18.730 -5.786 1.00 1.20 N ATOM 0 H GLN A 30 8.409 -18.279 -11.655 1.00 73.10 H new ATOM 0 HA GLN A 30 7.229 -18.433 -8.941 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.774 -20.341 -9.540 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.054 -19.171 -9.796 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.125 -20.275 -7.555 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.057 -18.525 -7.480 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.037 -18.122 -5.586 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.441 -18.747 -5.155 1.00 1.20 H new ATOM 477 N LEU A 31 7.862 -16.038 -8.743 1.00 65.02 N ATOM 478 CA LEU A 31 8.288 -14.673 -8.450 1.00 54.50 C ATOM 479 C LEU A 31 9.059 -14.614 -7.136 1.00 53.24 C ATOM 480 O LEU A 31 8.579 -15.076 -6.102 1.00 13.04 O ATOM 481 CB LEU A 31 7.075 -13.743 -8.386 1.00 52.25 C ATOM 482 CG LEU A 31 7.309 -12.303 -8.844 1.00 62.25 C ATOM 483 CD1 LEU A 31 6.149 -11.415 -8.425 1.00 62.41 C ATOM 484 CD2 LEU A 31 8.620 -11.771 -8.283 1.00 64.43 C ATOM 0 H LEU A 31 6.906 -16.252 -8.458 1.00 65.02 H new ATOM 0 HA LEU A 31 8.949 -14.344 -9.252 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.280 -14.173 -8.996 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.712 -13.722 -7.358 1.00 52.25 H new ATOM 0 HG LEU A 31 7.372 -12.294 -9.932 1.00 62.25 H new ATOM 0 HD11 LEU A 31 6.333 -10.394 -8.759 1.00 62.41 H new ATOM 0 HD12 LEU A 31 5.227 -11.784 -8.875 1.00 62.41 H new ATOM 0 HD13 LEU A 31 6.053 -11.429 -7.339 1.00 62.41 H new ATOM 0 HD21 LEU A 31 8.770 -10.745 -8.619 1.00 64.43 H new ATOM 0 HD22 LEU A 31 8.586 -11.795 -7.194 1.00 64.43 H new ATOM 0 HD23 LEU A 31 9.444 -12.392 -8.634 1.00 64.43 H new ATOM 496 N ASN A 32 10.257 -14.042 -7.184 1.00 55.44 N ATOM 497 CA ASN A 32 11.095 -13.920 -5.996 1.00 63.23 C ATOM 498 C ASN A 32 11.521 -12.471 -5.777 1.00 53.21 C ATOM 499 O ASN A 32 12.353 -11.940 -6.514 1.00 30.12 O ATOM 500 CB ASN A 32 12.331 -14.813 -6.126 1.00 15.22 C ATOM 501 CG ASN A 32 11.989 -16.207 -6.615 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.826 -17.133 -5.821 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.879 -16.362 -7.929 1.00 41.33 N ATOM 0 H ASN A 32 10.670 -13.655 -8.033 1.00 55.44 H new ATOM 0 HA ASN A 32 10.511 -14.242 -5.134 1.00 63.23 H new ATOM 0 HB2 ASN A 32 13.038 -14.352 -6.816 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.829 -14.882 -5.159 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.651 -17.277 -8.317 1.00 41.33 H new ATOM 0 HD22 ASN A 32 12.023 -15.566 -8.550 1.00 41.33 H new ATOM 510 N ILE A 33 10.948 -11.839 -4.759 1.00 31.21 N ATOM 511 CA ILE A 33 11.269 -10.454 -4.442 1.00 31.14 C ATOM 512 C ILE A 33 12.071 -10.358 -3.148 1.00 52.44 C ATOM 513 O ILE A 33 11.779 -11.047 -2.170 1.00 11.10 O ATOM 514 CB ILE A 33 9.996 -9.597 -4.307 1.00 13.11 C ATOM 515 CG1 ILE A 33 9.097 -9.785 -5.532 1.00 12.13 C ATOM 516 CG2 ILE A 33 10.361 -8.131 -4.132 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.950 -10.743 -5.297 1.00 72.22 C ATOM 0 H ILE A 33 10.259 -12.265 -4.139 1.00 31.21 H new ATOM 0 HA ILE A 33 11.868 -10.072 -5.269 1.00 31.14 H new ATOM 0 HB ILE A 33 9.448 -9.923 -3.423 1.00 13.11 H new ATOM 0 HG12 ILE A 33 8.696 -8.816 -5.830 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.700 -10.150 -6.363 1.00 12.13 H new ATOM 0 HG21 ILE A 33 9.451 -7.538 -4.038 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.966 -8.012 -3.233 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.927 -7.791 -4.999 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.355 -10.828 -6.206 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.344 -11.723 -5.028 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.324 -10.369 -4.487 1.00 72.22 H new ATOM 529 N LYS A 34 13.083 -9.497 -3.149 1.00 22.24 N ATOM 530 CA LYS A 34 13.928 -9.307 -1.976 1.00 23.21 C ATOM 531 C LYS A 34 13.175 -8.559 -0.879 1.00 44.34 C ATOM 532 O LYS A 34 12.252 -7.794 -1.157 1.00 15.11 O ATOM 533 CB LYS A 34 15.195 -8.539 -2.353 1.00 53.34 C ATOM 534 CG LYS A 34 14.998 -7.034 -2.421 1.00 41.43 C ATOM 535 CD LYS A 34 15.691 -6.434 -3.632 1.00 33.21 C ATOM 536 CE LYS A 34 16.977 -5.723 -3.244 1.00 40.23 C ATOM 537 NZ LYS A 34 17.690 -5.176 -4.432 1.00 30.42 N1+ ATOM 0 H LYS A 34 13.338 -8.919 -3.950 1.00 22.24 H new ATOM 0 HA LYS A 34 14.206 -10.290 -1.597 1.00 23.21 H new ATOM 0 HB2 LYS A 34 15.975 -8.762 -1.625 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.551 -8.894 -3.320 1.00 53.34 H new ATOM 0 HG2 LYS A 34 13.933 -6.807 -2.461 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.388 -6.574 -1.513 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.913 -7.221 -4.352 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.020 -5.731 -4.125 1.00 33.21 H new ATOM 0 HE2 LYS A 34 16.749 -4.912 -2.552 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.631 -6.417 -2.716 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.562 -4.699 -4.125 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 17.931 -5.953 -5.080 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.076 -4.494 -4.922 1.00 30.42 H new ATOM 551 N THR A 35 13.576 -8.785 0.367 1.00 41.14 N ATOM 552 CA THR A 35 12.940 -8.134 1.506 1.00 62.04 C ATOM 553 C THR A 35 13.959 -7.800 2.588 1.00 21.21 C ATOM 554 O THR A 35 15.142 -8.114 2.459 1.00 42.41 O ATOM 555 CB THR A 35 11.833 -9.017 2.113 1.00 73.14 C ATOM 556 OG1 THR A 35 12.408 -9.973 3.011 1.00 74.33 O ATOM 557 CG2 THR A 35 11.058 -9.741 1.022 1.00 21.11 C ATOM 0 H THR A 35 14.339 -9.415 0.614 1.00 41.14 H new ATOM 0 HA THR A 35 12.494 -7.212 1.134 1.00 62.04 H new ATOM 0 HB THR A 35 11.144 -8.373 2.659 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.698 -10.530 3.394 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.282 -10.358 1.475 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.598 -9.010 0.356 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.738 -10.374 0.452 1.00 21.11 H new ATOM 565 N ALA A 36 13.493 -7.161 3.657 1.00 32.44 N ATOM 566 CA ALA A 36 14.364 -6.788 4.764 1.00 70.24 C ATOM 567 C ALA A 36 14.663 -7.987 5.657 1.00 54.21 C ATOM 568 O ALA A 36 15.601 -7.961 6.455 1.00 10.51 O ATOM 569 CB ALA A 36 13.733 -5.667 5.576 1.00 11.33 C ATOM 0 H ALA A 36 12.517 -6.891 3.779 1.00 32.44 H new ATOM 0 HA ALA A 36 15.308 -6.435 4.348 1.00 70.24 H new ATOM 0 HB1 ALA A 36 14.394 -5.398 6.400 1.00 11.33 H new ATOM 0 HB2 ALA A 36 13.577 -4.798 4.937 1.00 11.33 H new ATOM 0 HB3 ALA A 36 12.775 -6.001 5.974 1.00 11.33 H new ATOM 575 N SER A 37 13.860 -9.037 5.518 1.00 12.43 N ATOM 576 CA SER A 37 14.037 -10.245 6.316 1.00 24.12 C ATOM 577 C SER A 37 14.385 -11.436 5.428 1.00 71.45 C ATOM 578 O SER A 37 14.253 -12.589 5.837 1.00 35.33 O ATOM 579 CB SER A 37 12.767 -10.543 7.115 1.00 74.34 C ATOM 580 OG SER A 37 12.863 -10.035 8.433 1.00 31.32 O ATOM 0 H SER A 37 13.081 -9.076 4.861 1.00 12.43 H new ATOM 0 HA SER A 37 14.862 -10.077 7.008 1.00 24.12 H new ATOM 0 HB2 SER A 37 11.906 -10.101 6.613 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.599 -11.619 7.148 1.00 74.34 H new ATOM 0 HG SER A 37 12.038 -10.237 8.922 1.00 31.32 H new ATOM 586 N GLY A 38 14.829 -11.148 4.208 1.00 20.32 N ATOM 587 CA GLY A 38 15.189 -12.204 3.281 1.00 11.02 C ATOM 588 C GLY A 38 14.568 -12.010 1.912 1.00 44.13 C ATOM 589 O GLY A 38 14.742 -10.965 1.286 1.00 2.10 O ATOM 0 H GLY A 38 14.946 -10.202 3.846 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.274 -12.242 3.182 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.872 -13.164 3.688 1.00 11.02 H new ATOM 593 N VAL A 39 13.844 -13.022 1.443 1.00 25.01 N ATOM 594 CA VAL A 39 13.195 -12.958 0.139 1.00 53.13 C ATOM 595 C VAL A 39 11.822 -13.619 0.175 1.00 4.40 C ATOM 596 O VAL A 39 11.644 -14.669 0.791 1.00 12.03 O ATOM 597 CB VAL A 39 14.051 -13.637 -0.946 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.958 -15.151 -0.832 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.623 -13.170 -2.331 1.00 44.20 C ATOM 0 H VAL A 39 13.692 -13.896 1.947 1.00 25.01 H new ATOM 0 HA VAL A 39 13.080 -11.902 -0.106 1.00 53.13 H new ATOM 0 HB VAL A 39 15.092 -13.350 -0.796 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.570 -15.613 -1.607 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.317 -15.465 0.148 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.921 -15.462 -0.955 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.238 -13.659 -3.086 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.576 -13.426 -2.494 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.748 -12.090 -2.406 1.00 44.20 H new ATOM 609 N GLU A 40 10.854 -12.996 -0.491 1.00 32.42 N ATOM 610 CA GLU A 40 9.495 -13.525 -0.534 1.00 60.10 C ATOM 611 C GLU A 40 9.256 -14.302 -1.825 1.00 42.53 C ATOM 612 O GLU A 40 9.497 -13.797 -2.921 1.00 20.13 O ATOM 613 CB GLU A 40 8.478 -12.389 -0.414 1.00 24.13 C ATOM 614 CG GLU A 40 8.754 -11.223 -1.350 1.00 11.04 C ATOM 615 CD GLU A 40 7.653 -10.182 -1.324 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.014 -10.019 -0.263 1.00 60.43 O ATOM 617 OE2 GLU A 40 7.429 -9.529 -2.364 1.00 55.13 O1- ATOM 0 H GLU A 40 10.985 -12.126 -1.007 1.00 32.42 H new ATOM 0 HA GLU A 40 9.370 -14.205 0.308 1.00 60.10 H new ATOM 0 HB2 GLU A 40 7.482 -12.781 -0.620 1.00 24.13 H new ATOM 0 HB3 GLU A 40 8.472 -12.025 0.614 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.698 -10.755 -1.073 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.871 -11.598 -2.367 1.00 11.04 H new ATOM 624 N GLN A 41 8.779 -15.536 -1.687 1.00 42.11 N ATOM 625 CA GLN A 41 8.509 -16.384 -2.841 1.00 75.52 C ATOM 626 C GLN A 41 7.034 -16.324 -3.226 1.00 53.35 C ATOM 627 O GLN A 41 6.175 -16.050 -2.388 1.00 61.42 O ATOM 628 CB GLN A 41 8.912 -17.829 -2.544 1.00 53.24 C ATOM 629 CG GLN A 41 10.395 -18.001 -2.256 1.00 24.20 C ATOM 630 CD GLN A 41 11.173 -18.478 -3.466 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.598 -19.002 -4.421 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.489 -18.301 -3.432 1.00 4.21 N ATOM 0 H GLN A 41 8.572 -15.970 -0.787 1.00 42.11 H new ATOM 0 HA GLN A 41 9.100 -16.014 -3.679 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.340 -18.188 -1.688 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.641 -18.455 -3.394 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.807 -17.051 -1.915 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.523 -18.715 -1.442 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.924 -17.862 -2.620 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.065 -18.604 -4.218 1.00 4.21 H new ATOM 641 N TRP A 42 6.749 -16.581 -4.498 1.00 43.02 N ATOM 642 CA TRP A 42 5.378 -16.556 -4.994 1.00 5.44 C ATOM 643 C TRP A 42 5.212 -17.495 -6.183 1.00 60.44 C ATOM 644 O TRP A 42 6.097 -17.597 -7.033 1.00 11.52 O ATOM 645 CB TRP A 42 4.985 -15.132 -5.394 1.00 34.30 C ATOM 646 CG TRP A 42 5.042 -14.158 -4.256 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.123 -13.423 -3.860 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.973 -13.815 -3.368 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.790 -12.644 -2.778 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.477 -12.865 -2.457 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.639 -14.215 -3.253 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.693 -12.313 -1.447 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.862 -13.668 -2.251 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.391 -12.724 -1.359 1.00 22.13 C ATOM 0 H TRP A 42 7.449 -16.809 -5.204 1.00 43.02 H new ATOM 0 HA TRP A 42 4.722 -16.896 -4.193 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.647 -14.790 -6.189 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.975 -15.143 -5.803 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.096 -13.450 -4.328 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.419 -12.005 -2.292 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.223 -14.940 -3.937 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 4.098 -11.587 -0.758 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.830 -13.972 -2.153 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.758 -12.313 -0.587 1.00 22.13 H new ATOM 665 N ILE A 43 4.074 -18.179 -6.236 1.00 22.22 N ATOM 666 CA ILE A 43 3.793 -19.109 -7.323 1.00 14.53 C ATOM 667 C ILE A 43 2.667 -18.592 -8.212 1.00 73.12 C ATOM 668 O ILE A 43 1.542 -18.390 -7.756 1.00 34.33 O ATOM 669 CB ILE A 43 3.408 -20.501 -6.787 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.500 -21.032 -5.855 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.174 -21.467 -7.939 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.089 -21.060 -4.399 1.00 2.14 C ATOM 0 H ILE A 43 3.332 -18.107 -5.540 1.00 22.22 H new ATOM 0 HA ILE A 43 4.708 -19.193 -7.910 1.00 14.53 H new ATOM 0 HB ILE A 43 2.482 -20.412 -6.219 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.774 -22.040 -6.166 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.390 -20.412 -5.961 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.903 -22.446 -7.544 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.366 -21.094 -8.569 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.085 -21.555 -8.531 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.911 -21.447 -3.796 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.843 -20.050 -4.071 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.217 -21.703 -4.279 1.00 2.14 H new ATOM 684 N VAL A 44 2.979 -18.378 -9.487 1.00 32.54 N ATOM 685 CA VAL A 44 1.994 -17.887 -10.443 1.00 1.41 C ATOM 686 C VAL A 44 1.885 -18.816 -11.647 1.00 62.00 C ATOM 687 O VAL A 44 2.736 -18.797 -12.537 1.00 64.24 O ATOM 688 CB VAL A 44 2.346 -16.469 -10.932 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.508 -15.429 -10.204 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.830 -16.195 -10.746 1.00 14.24 C ATOM 0 H VAL A 44 3.906 -18.537 -9.881 1.00 32.54 H new ATOM 0 HA VAL A 44 1.036 -17.857 -9.924 1.00 1.41 H new ATOM 0 HB VAL A 44 2.118 -16.404 -11.996 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.771 -14.434 -10.563 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.451 -15.616 -10.394 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.701 -15.491 -9.133 1.00 0.24 H new ATOM 0 HG21 VAL A 44 4.061 -15.189 -11.097 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.086 -16.279 -9.690 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.408 -16.920 -11.318 1.00 14.24 H new ATOM 700 N ASP A 45 0.833 -19.627 -11.667 1.00 45.32 N ATOM 701 CA ASP A 45 0.612 -20.563 -12.763 1.00 21.31 C ATOM 702 C ASP A 45 -0.097 -19.878 -13.928 1.00 43.53 C ATOM 703 O ASP A 45 -0.856 -18.928 -13.735 1.00 12.42 O ATOM 704 CB ASP A 45 -0.212 -21.759 -12.281 1.00 64.12 C ATOM 705 CG ASP A 45 -0.777 -22.572 -13.430 1.00 63.33 C ATOM 706 OD1 ASP A 45 0.005 -22.972 -14.317 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.004 -22.809 -13.441 1.00 51.12 O1- ATOM 0 H ASP A 45 0.121 -19.655 -10.938 1.00 45.32 H new ATOM 0 HA ASP A 45 1.584 -20.916 -13.109 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.412 -22.400 -11.658 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -1.030 -21.404 -11.654 1.00 64.12 H new ATOM 712 N LEU A 46 0.157 -20.366 -15.137 1.00 52.01 N ATOM 713 CA LEU A 46 -0.455 -19.801 -16.334 1.00 33.22 C ATOM 714 C LEU A 46 -1.509 -20.745 -16.905 1.00 13.22 C ATOM 715 O LEU A 46 -2.325 -20.353 -17.739 1.00 72.41 O ATOM 716 CB LEU A 46 0.613 -19.512 -17.391 1.00 61.21 C ATOM 717 CG LEU A 46 1.734 -20.545 -17.510 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.240 -20.621 -18.943 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.873 -20.210 -16.558 1.00 32.43 C ATOM 0 H LEU A 46 0.783 -21.152 -15.314 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.943 -18.867 -16.055 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.122 -19.424 -18.360 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.061 -18.543 -17.171 1.00 61.21 H new ATOM 0 HG LEU A 46 1.333 -21.520 -17.235 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.037 -21.361 -19.009 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.422 -20.910 -19.603 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.624 -19.647 -19.246 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.661 -20.956 -16.657 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.273 -19.225 -16.801 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.502 -20.208 -15.533 1.00 32.43 H new ATOM 731 N LYS A 47 -1.486 -21.994 -16.449 1.00 32.14 N ATOM 732 CA LYS A 47 -2.442 -22.994 -16.911 1.00 73.41 C ATOM 733 C LYS A 47 -3.861 -22.626 -16.491 1.00 25.15 C ATOM 734 O LYS A 47 -4.780 -22.633 -17.309 1.00 30.54 O ATOM 735 CB LYS A 47 -2.075 -24.372 -16.355 1.00 12.14 C ATOM 736 CG LYS A 47 -0.643 -24.786 -16.648 1.00 71.22 C ATOM 737 CD LYS A 47 -0.168 -25.868 -15.693 1.00 44.04 C ATOM 738 CE LYS A 47 0.708 -26.890 -16.400 1.00 52.41 C ATOM 739 NZ LYS A 47 1.205 -27.937 -15.464 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.816 -22.337 -15.761 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.402 -23.024 -18.000 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.231 -24.372 -15.276 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.752 -25.116 -16.775 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.571 -25.148 -17.674 1.00 71.22 H new ATOM 0 HG3 LYS A 47 0.011 -23.918 -16.569 1.00 71.22 H new ATOM 0 HD2 LYS A 47 0.390 -25.413 -14.875 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -1.030 -26.369 -15.252 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.141 -27.361 -17.203 1.00 52.41 H new ATOM 0 HE3 LYS A 47 1.556 -26.384 -16.862 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 1.798 -28.615 -15.984 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 1.767 -27.491 -14.711 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 0.397 -28.437 -15.042 1.00 64.34 H new ATOM 753 N GLN A 48 -4.031 -22.304 -15.213 1.00 45.21 N ATOM 754 CA GLN A 48 -5.339 -21.932 -14.687 1.00 10.22 C ATOM 755 C GLN A 48 -5.374 -20.456 -14.307 1.00 4.23 C ATOM 756 O GLN A 48 -6.413 -19.931 -13.906 1.00 2.01 O ATOM 757 CB GLN A 48 -5.686 -22.793 -13.471 1.00 63.24 C ATOM 758 CG GLN A 48 -5.750 -24.280 -13.775 1.00 72.31 C ATOM 759 CD GLN A 48 -6.239 -25.098 -12.596 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.238 -25.811 -12.693 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.537 -24.998 -11.474 1.00 43.10 N ATOM 0 H GLN A 48 -3.280 -22.293 -14.523 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.079 -22.104 -15.468 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.943 -22.622 -12.692 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.648 -22.471 -13.071 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.412 -24.445 -14.625 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.760 -24.629 -14.069 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.715 -24.395 -11.439 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.819 -25.524 -10.647 1.00 43.10 H new ATOM 770 N LEU A 49 -4.230 -19.791 -14.434 1.00 40.44 N ATOM 771 CA LEU A 49 -4.129 -18.374 -14.102 1.00 12.54 C ATOM 772 C LEU A 49 -4.457 -18.132 -12.633 1.00 71.02 C ATOM 773 O LEU A 49 -5.566 -17.722 -12.291 1.00 2.15 O ATOM 774 CB LEU A 49 -5.071 -17.555 -14.988 1.00 75.10 C ATOM 775 CG LEU A 49 -4.467 -17.002 -16.279 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.282 -16.101 -15.973 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.050 -18.139 -17.202 1.00 22.10 C ATOM 0 H LEU A 49 -3.361 -20.210 -14.764 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.102 -18.057 -14.282 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -5.926 -18.179 -15.249 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.453 -16.719 -14.402 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.227 -16.407 -16.786 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -2.866 -15.718 -16.905 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.610 -15.267 -15.352 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.519 -16.671 -15.443 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -3.622 -17.727 -18.116 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -3.307 -18.760 -16.701 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -4.922 -18.745 -17.450 1.00 22.10 H new ATOM 789 N LYS A 50 -3.483 -18.388 -11.766 1.00 54.03 N ATOM 790 CA LYS A 50 -3.665 -18.196 -10.332 1.00 73.12 C ATOM 791 C LYS A 50 -2.383 -17.681 -9.685 1.00 13.13 C ATOM 792 O LYS A 50 -1.364 -17.510 -10.354 1.00 33.05 O ATOM 793 CB LYS A 50 -4.091 -19.509 -9.671 1.00 23.41 C ATOM 794 CG LYS A 50 -3.035 -20.598 -9.744 1.00 12.24 C ATOM 795 CD LYS A 50 -2.312 -20.763 -8.418 1.00 71.24 C ATOM 796 CE LYS A 50 -2.738 -22.038 -7.706 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.461 -23.251 -8.527 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.559 -18.729 -12.032 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.448 -17.452 -10.187 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.332 -19.318 -8.625 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.003 -19.867 -10.148 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.503 -21.542 -10.024 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.314 -20.355 -10.525 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.236 -20.783 -8.589 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.518 -19.903 -7.781 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.212 -22.116 -6.754 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.803 -21.989 -7.479 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.254 -24.055 -7.900 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.293 -23.472 -9.111 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.642 -23.073 -9.143 1.00 41.23 H new ATOM 811 N VAL A 51 -2.441 -17.438 -8.379 1.00 11.01 N ATOM 812 CA VAL A 51 -1.284 -16.946 -7.641 1.00 51.13 C ATOM 813 C VAL A 51 -1.286 -17.462 -6.207 1.00 24.24 C ATOM 814 O VAL A 51 -2.336 -17.552 -5.570 1.00 11.33 O ATOM 815 CB VAL A 51 -1.245 -15.406 -7.621 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.600 -14.843 -7.219 1.00 60.22 C ATOM 817 CG2 VAL A 51 -0.154 -14.914 -6.682 1.00 51.31 C ATOM 0 H VAL A 51 -3.277 -17.574 -7.811 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.398 -17.318 -8.156 1.00 51.13 H new ATOM 0 HB VAL A 51 -1.015 -15.052 -8.626 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.553 -13.754 -7.210 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.356 -15.168 -7.934 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.863 -15.203 -6.224 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -0.140 -13.824 -6.680 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.351 -15.276 -5.673 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.812 -15.288 -7.019 1.00 51.31 H new ATOM 827 N ASP A 52 -0.104 -17.800 -5.704 1.00 34.02 N ATOM 828 CA ASP A 52 0.032 -18.306 -4.343 1.00 10.05 C ATOM 829 C ASP A 52 1.351 -17.854 -3.724 1.00 41.12 C ATOM 830 O ASP A 52 2.226 -17.337 -4.416 1.00 32.23 O ATOM 831 CB ASP A 52 -0.054 -19.833 -4.333 1.00 62.44 C ATOM 832 CG ASP A 52 -0.852 -20.375 -5.503 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.240 -20.979 -6.410 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.087 -20.198 -5.511 1.00 41.01 O1- ATOM 0 H ASP A 52 0.774 -17.733 -6.218 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.786 -17.900 -3.747 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.952 -20.251 -4.358 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.512 -20.162 -3.400 1.00 62.44 H new ATOM 839 N GLN A 53 1.482 -18.051 -2.416 1.00 45.12 N ATOM 840 CA GLN A 53 2.693 -17.662 -1.703 1.00 63.05 C ATOM 841 C GLN A 53 3.680 -18.823 -1.632 1.00 31.52 C ATOM 842 O GLN A 53 3.308 -19.979 -1.828 1.00 43.42 O ATOM 843 CB GLN A 53 2.349 -17.182 -0.293 1.00 21.35 C ATOM 844 CG GLN A 53 2.124 -18.315 0.697 1.00 51.34 C ATOM 845 CD GLN A 53 0.851 -19.088 0.419 1.00 13.11 C ATOM 846 OE1 GLN A 53 -0.199 -18.810 1.002 1.00 31.44 O ATOM 847 NE2 GLN A 53 0.935 -20.066 -0.474 1.00 1.42 N ATOM 0 H GLN A 53 0.765 -18.477 -1.829 1.00 45.12 H new ATOM 0 HA GLN A 53 3.161 -16.845 -2.252 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.155 -16.546 0.072 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.451 -16.565 -0.337 1.00 21.35 H new ATOM 0 HG2 GLN A 53 2.974 -18.997 0.662 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.084 -17.907 1.707 1.00 51.34 H new ATOM 0 HE21 GLN A 53 1.824 -20.262 -0.933 1.00 1.42 H new ATOM 0 HE22 GLN A 53 0.110 -20.621 -0.701 1.00 1.42 H new ATOM 856 N GLY A 54 4.941 -18.506 -1.351 1.00 60.23 N ATOM 857 CA GLY A 54 5.961 -19.534 -1.258 1.00 32.11 C ATOM 858 C GLY A 54 6.529 -19.910 -2.613 1.00 61.12 C ATOM 859 O GLY A 54 6.436 -19.139 -3.568 1.00 34.53 O ATOM 0 H GLY A 54 5.274 -17.556 -1.186 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.767 -19.184 -0.613 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.537 -20.421 -0.786 1.00 32.11 H new ATOM 863 N VAL A 55 7.122 -21.096 -2.696 1.00 63.32 N ATOM 864 CA VAL A 55 7.707 -21.573 -3.943 1.00 0.23 C ATOM 865 C VAL A 55 7.032 -22.856 -4.413 1.00 31.05 C ATOM 866 O VAL A 55 6.631 -23.692 -3.603 1.00 13.53 O ATOM 867 CB VAL A 55 9.219 -21.827 -3.791 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.483 -22.831 -2.680 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.812 -22.308 -5.107 1.00 61.54 C ATOM 0 H VAL A 55 7.210 -21.745 -1.914 1.00 63.32 H new ATOM 0 HA VAL A 55 7.549 -20.791 -4.686 1.00 0.23 H new ATOM 0 HB VAL A 55 9.703 -20.888 -3.521 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.556 -22.998 -2.588 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.094 -22.443 -1.739 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.989 -23.773 -2.916 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.881 -22.483 -4.982 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.325 -23.236 -5.408 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.655 -21.551 -5.875 1.00 61.54 H new ATOM 879 N PHE A 56 6.910 -23.007 -5.727 1.00 21.01 N ATOM 880 CA PHE A 56 6.283 -24.188 -6.307 1.00 21.13 C ATOM 881 C PHE A 56 7.217 -25.392 -6.232 1.00 72.32 C ATOM 882 O PHE A 56 8.422 -25.245 -6.029 1.00 54.15 O ATOM 883 CB PHE A 56 5.891 -23.923 -7.762 1.00 15.22 C ATOM 884 CG PHE A 56 4.970 -24.962 -8.334 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.810 -25.323 -7.668 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.266 -25.580 -9.539 1.00 11.02 C ATOM 887 CE1 PHE A 56 2.961 -26.279 -8.192 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.420 -26.537 -10.069 1.00 40.34 C ATOM 889 CZ PHE A 56 3.267 -26.888 -9.394 1.00 32.22 C ATOM 0 H PHE A 56 7.238 -22.325 -6.411 1.00 21.01 H new ATOM 0 HA PHE A 56 5.385 -24.410 -5.731 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.410 -22.947 -7.828 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.794 -23.875 -8.370 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.566 -24.851 -6.728 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.167 -25.311 -10.070 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.059 -26.550 -7.663 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.661 -27.010 -11.010 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.606 -27.637 -9.805 1.00 32.22 H new ATOM 899 N ALA A 57 6.651 -26.584 -6.397 1.00 32.10 N ATOM 900 CA ALA A 57 7.433 -27.813 -6.350 1.00 4.40 C ATOM 901 C ALA A 57 8.511 -27.820 -7.428 1.00 45.14 C ATOM 902 O ALA A 57 9.583 -28.396 -7.244 1.00 5.11 O ATOM 903 CB ALA A 57 6.523 -29.023 -6.502 1.00 15.14 C ATOM 0 H ALA A 57 5.655 -26.724 -6.564 1.00 32.10 H new ATOM 0 HA ALA A 57 7.927 -27.863 -5.380 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.120 -29.934 -6.465 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.794 -29.034 -5.692 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.002 -28.969 -7.458 1.00 15.14 H new ATOM 909 N SER A 58 8.219 -27.177 -8.553 1.00 54.32 N ATOM 910 CA SER A 58 9.163 -27.114 -9.664 1.00 12.25 C ATOM 911 C SER A 58 8.599 -26.277 -10.810 1.00 23.03 C ATOM 912 O SER A 58 8.028 -26.797 -11.768 1.00 74.33 O ATOM 913 CB SER A 58 9.494 -28.522 -10.161 1.00 24.15 C ATOM 914 OG SER A 58 10.836 -28.602 -10.610 1.00 63.33 O ATOM 0 H SER A 58 7.337 -26.692 -8.720 1.00 54.32 H new ATOM 0 HA SER A 58 10.076 -26.639 -9.305 1.00 12.25 H new ATOM 0 HB2 SER A 58 9.332 -29.242 -9.359 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.819 -28.793 -10.973 1.00 24.15 H new ATOM 0 HG SER A 58 11.023 -29.512 -10.921 1.00 63.33 H new ATOM 920 N PRO A 59 8.761 -24.950 -10.708 1.00 64.12 N ATOM 921 CA PRO A 59 8.277 -24.013 -11.725 1.00 73.32 C ATOM 922 C PRO A 59 9.067 -24.109 -13.026 1.00 23.22 C ATOM 923 O PRO A 59 10.257 -24.423 -13.019 1.00 4.44 O ATOM 924 CB PRO A 59 8.484 -22.643 -11.074 1.00 61.42 C ATOM 925 CG PRO A 59 9.587 -22.853 -10.094 1.00 4.13 C ATOM 926 CD PRO A 59 9.433 -24.262 -9.592 1.00 10.03 C ATOM 0 HA PRO A 59 7.243 -24.215 -12.005 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.750 -21.889 -11.815 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.576 -22.298 -10.580 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.560 -22.711 -10.565 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.522 -22.137 -9.274 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.398 -24.715 -9.363 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.838 -24.301 -8.679 1.00 10.03 H new ATOM 934 N ASP A 60 8.397 -23.837 -14.140 1.00 20.31 N ATOM 935 CA ASP A 60 9.038 -23.892 -15.450 1.00 71.05 C ATOM 936 C ASP A 60 9.956 -22.692 -15.655 1.00 72.31 C ATOM 937 O ASP A 60 10.815 -22.698 -16.538 1.00 5.43 O ATOM 938 CB ASP A 60 7.982 -23.938 -16.556 1.00 60.31 C ATOM 939 CG ASP A 60 8.087 -25.190 -17.404 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.088 -25.937 -17.485 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.166 -25.423 -17.987 1.00 72.43 O1- ATOM 0 H ASP A 60 7.411 -23.576 -14.163 1.00 20.31 H new ATOM 0 HA ASP A 60 9.640 -24.799 -15.496 1.00 71.05 H new ATOM 0 HB2 ASP A 60 6.989 -23.888 -16.109 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.089 -23.061 -17.194 1.00 60.31 H new ATOM 946 N VAL A 61 9.770 -21.662 -14.835 1.00 23.13 N ATOM 947 CA VAL A 61 10.582 -20.454 -14.927 1.00 4.42 C ATOM 948 C VAL A 61 10.722 -19.782 -13.567 1.00 2.01 C ATOM 949 O VAL A 61 9.817 -19.845 -12.733 1.00 3.25 O ATOM 950 CB VAL A 61 9.980 -19.448 -15.926 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.787 -18.160 -15.938 1.00 0.55 C ATOM 952 CG2 VAL A 61 9.909 -20.057 -17.318 1.00 33.43 C ATOM 0 H VAL A 61 9.064 -21.640 -14.099 1.00 23.13 H new ATOM 0 HA VAL A 61 11.567 -20.760 -15.281 1.00 4.42 H new ATOM 0 HB VAL A 61 8.965 -19.209 -15.608 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.347 -17.461 -16.650 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.780 -17.717 -14.942 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.814 -18.377 -16.231 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.481 -19.332 -18.011 1.00 33.43 H new ATOM 0 HG22 VAL A 61 10.912 -20.327 -17.649 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.283 -20.949 -17.293 1.00 33.43 H new ATOM 962 N THR A 62 11.863 -19.136 -13.347 1.00 50.24 N ATOM 963 CA THR A 62 12.123 -18.451 -12.086 1.00 14.23 C ATOM 964 C THR A 62 12.314 -16.954 -12.303 1.00 31.34 C ATOM 965 O THR A 62 13.315 -16.522 -12.875 1.00 52.43 O ATOM 966 CB THR A 62 13.370 -19.020 -11.385 1.00 64.24 C ATOM 967 OG1 THR A 62 13.747 -20.262 -11.989 1.00 4.13 O ATOM 968 CG2 THR A 62 13.108 -19.231 -9.901 1.00 53.40 C ATOM 0 H THR A 62 12.622 -19.073 -14.026 1.00 50.24 H new ATOM 0 HA THR A 62 11.252 -18.615 -11.451 1.00 14.23 H new ATOM 0 HB THR A 62 14.182 -18.301 -11.496 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.038 -20.102 -12.911 1.00 4.13 H new ATOM 0 HG21 THR A 62 14.003 -19.634 -9.427 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.849 -18.279 -9.438 1.00 53.40 H new ATOM 0 HG23 THR A 62 12.283 -19.932 -9.773 1.00 53.40 H new ATOM 976 N VAL A 63 11.348 -16.166 -11.843 1.00 71.42 N ATOM 977 CA VAL A 63 11.412 -14.716 -11.985 1.00 52.44 C ATOM 978 C VAL A 63 11.935 -14.061 -10.712 1.00 12.25 C ATOM 979 O VAL A 63 11.396 -14.273 -9.624 1.00 15.12 O ATOM 980 CB VAL A 63 10.030 -14.124 -12.323 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.089 -12.604 -12.334 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.536 -14.657 -13.660 1.00 54.53 C ATOM 0 H VAL A 63 10.512 -16.507 -11.369 1.00 71.42 H new ATOM 0 HA VAL A 63 12.099 -14.509 -12.805 1.00 52.44 H new ATOM 0 HB VAL A 63 9.323 -14.430 -11.552 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.104 -12.203 -12.575 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.397 -12.245 -11.352 1.00 23.22 H new ATOM 0 HG13 VAL A 63 10.808 -12.273 -13.083 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.559 -14.229 -13.884 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.241 -14.382 -14.444 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.454 -15.743 -13.611 1.00 54.53 H new ATOM 992 N THR A 64 12.989 -13.264 -10.853 1.00 21.22 N ATOM 993 CA THR A 64 13.587 -12.579 -9.714 1.00 44.01 C ATOM 994 C THR A 64 13.586 -11.067 -9.919 1.00 25.10 C ATOM 995 O THR A 64 14.181 -10.560 -10.869 1.00 72.04 O ATOM 996 CB THR A 64 15.032 -13.050 -9.469 1.00 34.33 C ATOM 997 OG1 THR A 64 15.400 -14.031 -10.445 1.00 1.35 O ATOM 998 CG2 THR A 64 15.180 -13.637 -8.073 1.00 73.53 C ATOM 0 H THR A 64 13.446 -13.077 -11.745 1.00 21.22 H new ATOM 0 HA THR A 64 12.980 -12.826 -8.843 1.00 44.01 H new ATOM 0 HB THR A 64 15.692 -12.187 -9.556 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.254 -14.439 -10.192 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.209 -13.963 -7.923 1.00 73.53 H new ATOM 0 HG22 THR A 64 14.927 -12.880 -7.331 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.510 -14.490 -7.964 1.00 73.53 H new ATOM 1006 N VAL A 65 12.914 -10.354 -9.021 1.00 24.10 N ATOM 1007 CA VAL A 65 12.837 -8.900 -9.103 1.00 44.40 C ATOM 1008 C VAL A 65 12.794 -8.273 -7.714 1.00 72.43 C ATOM 1009 O VAL A 65 11.936 -8.603 -6.899 1.00 51.43 O ATOM 1010 CB VAL A 65 11.597 -8.447 -9.897 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.325 -8.954 -9.235 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.573 -6.932 -10.028 1.00 61.51 C ATOM 0 H VAL A 65 12.415 -10.759 -8.229 1.00 24.10 H new ATOM 0 HA VAL A 65 13.734 -8.565 -9.623 1.00 44.40 H new ATOM 0 HB VAL A 65 11.652 -8.874 -10.898 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.459 -8.624 -9.810 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.343 -10.043 -9.199 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.260 -8.558 -8.221 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.690 -6.629 -10.592 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.542 -6.481 -9.036 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.469 -6.598 -10.550 1.00 61.51 H new ATOM 1022 N GLY A 66 13.730 -7.364 -7.453 1.00 71.14 N ATOM 1023 CA GLY A 66 13.781 -6.704 -6.161 1.00 41.23 C ATOM 1024 C GLY A 66 12.476 -6.018 -5.808 1.00 23.54 C ATOM 1025 O GLY A 66 11.595 -5.870 -6.655 1.00 73.14 O ATOM 0 H GLY A 66 14.452 -7.074 -8.112 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.022 -7.437 -5.391 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.585 -5.968 -6.164 1.00 41.23 H new ATOM 1029 N LEU A 67 12.350 -5.600 -4.553 1.00 13.24 N ATOM 1030 CA LEU A 67 11.142 -4.928 -4.089 1.00 45.22 C ATOM 1031 C LEU A 67 10.956 -3.591 -4.799 1.00 21.23 C ATOM 1032 O LEU A 67 9.964 -3.382 -5.498 1.00 45.23 O ATOM 1033 CB LEU A 67 11.206 -4.710 -2.576 1.00 52.23 C ATOM 1034 CG LEU A 67 9.878 -4.818 -1.825 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.453 -6.272 -1.700 1.00 15.22 C ATOM 1036 CD2 LEU A 67 9.987 -4.171 -0.452 1.00 21.12 C ATOM 0 H LEU A 67 13.069 -5.715 -3.839 1.00 13.24 H new ATOM 0 HA LEU A 67 10.289 -5.565 -4.323 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.899 -5.437 -2.153 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.627 -3.722 -2.389 1.00 52.23 H new ATOM 0 HG LEU A 67 9.116 -4.286 -2.395 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.506 -6.329 -1.163 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.333 -6.703 -2.694 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.215 -6.828 -1.153 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.033 -4.257 0.068 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.762 -4.674 0.127 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.244 -3.118 -0.565 1.00 21.12 H new ATOM 1048 N GLU A 68 11.916 -2.690 -4.616 1.00 23.10 N ATOM 1049 CA GLU A 68 11.857 -1.374 -5.242 1.00 24.34 C ATOM 1050 C GLU A 68 11.563 -1.494 -6.734 1.00 61.31 C ATOM 1051 O GLU A 68 10.903 -0.633 -7.318 1.00 21.23 O ATOM 1052 CB GLU A 68 13.174 -0.625 -5.029 1.00 2.03 C ATOM 1053 CG GLU A 68 13.552 -0.458 -3.567 1.00 62.33 C ATOM 1054 CD GLU A 68 14.159 0.898 -3.271 1.00 54.24 C ATOM 1055 OE1 GLU A 68 14.593 1.575 -4.227 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.200 1.285 -2.085 1.00 60.41 O1- ATOM 0 H GLU A 68 12.743 -2.847 -4.040 1.00 23.10 H new ATOM 0 HA GLU A 68 11.048 -0.813 -4.774 1.00 24.34 H new ATOM 0 HB2 GLU A 68 13.973 -1.159 -5.543 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.101 0.360 -5.491 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.665 -0.597 -2.949 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.261 -1.238 -3.288 1.00 62.33 H new ATOM 1063 N ASP A 69 12.055 -2.565 -7.345 1.00 20.45 N ATOM 1064 CA ASP A 69 11.844 -2.799 -8.769 1.00 42.22 C ATOM 1065 C ASP A 69 10.362 -2.975 -9.077 1.00 43.43 C ATOM 1066 O ASP A 69 9.829 -2.351 -9.995 1.00 14.14 O ATOM 1067 CB ASP A 69 12.624 -4.033 -9.226 1.00 71.20 C ATOM 1068 CG ASP A 69 14.124 -3.847 -9.110 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.576 -2.683 -9.061 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.847 -4.864 -9.066 1.00 23.21 O1- ATOM 0 H ASP A 69 12.603 -3.286 -6.876 1.00 20.45 H new ATOM 0 HA ASP A 69 12.208 -1.927 -9.313 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.320 -4.893 -8.629 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.368 -4.258 -10.261 1.00 71.20 H new ATOM 1075 N MET A 70 9.699 -3.830 -8.304 1.00 54.02 N ATOM 1076 CA MET A 70 8.277 -4.089 -8.496 1.00 40.11 C ATOM 1077 C MET A 70 7.455 -2.832 -8.227 1.00 33.44 C ATOM 1078 O MET A 70 6.580 -2.471 -9.016 1.00 2.01 O ATOM 1079 CB MET A 70 7.814 -5.220 -7.575 1.00 64.44 C ATOM 1080 CG MET A 70 8.063 -6.607 -8.145 1.00 53.12 C ATOM 1081 SD MET A 70 6.646 -7.704 -7.950 1.00 44.35 S ATOM 1082 CE MET A 70 6.592 -8.478 -9.564 1.00 74.02 C ATOM 0 H MET A 70 10.124 -4.355 -7.539 1.00 54.02 H new ATOM 0 HA MET A 70 8.124 -4.388 -9.533 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.328 -5.132 -6.618 1.00 64.44 H new ATOM 0 HB3 MET A 70 6.749 -5.103 -7.377 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.308 -6.522 -9.204 1.00 53.12 H new ATOM 0 HG3 MET A 70 8.929 -7.048 -7.652 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.568 -8.772 -9.792 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.944 -7.773 -10.317 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.232 -9.360 -9.566 1.00 74.02 H new ATOM 1092 N LEU A 71 7.742 -2.170 -7.113 1.00 4.41 N ATOM 1093 CA LEU A 71 7.029 -0.952 -6.741 1.00 52.32 C ATOM 1094 C LEU A 71 7.024 0.049 -7.891 1.00 50.24 C ATOM 1095 O LEU A 71 6.029 0.732 -8.130 1.00 51.41 O ATOM 1096 CB LEU A 71 7.669 -0.321 -5.503 1.00 73.33 C ATOM 1097 CG LEU A 71 7.843 -1.242 -4.295 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.894 -0.683 -3.346 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.518 -1.430 -3.572 1.00 30.51 C ATOM 0 H LEU A 71 8.463 -2.455 -6.451 1.00 4.41 H new ATOM 0 HA LEU A 71 5.997 -1.220 -6.513 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.648 0.067 -5.783 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.062 0.532 -5.200 1.00 73.33 H new ATOM 0 HG LEU A 71 8.182 -2.215 -4.650 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.005 -1.351 -2.492 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.847 -0.599 -3.868 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.583 0.302 -2.998 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.661 -2.088 -2.715 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.150 -0.463 -3.229 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.792 -1.874 -4.253 1.00 30.51 H new ATOM 1111 N ALA A 72 8.144 0.129 -8.604 1.00 72.12 N ATOM 1112 CA ALA A 72 8.267 1.044 -9.732 1.00 10.33 C ATOM 1113 C ALA A 72 7.262 0.702 -10.828 1.00 3.31 C ATOM 1114 O ALA A 72 6.568 1.580 -11.342 1.00 20.22 O ATOM 1115 CB ALA A 72 9.685 1.012 -10.284 1.00 1.25 C ATOM 0 H ALA A 72 8.978 -0.429 -8.420 1.00 72.12 H new ATOM 0 HA ALA A 72 8.049 2.051 -9.378 1.00 10.33 H new ATOM 0 HB1 ALA A 72 9.763 1.700 -11.126 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.386 1.311 -9.505 1.00 1.25 H new ATOM 0 HB3 ALA A 72 9.923 0.002 -10.617 1.00 1.25 H new ATOM 1121 N ILE A 73 7.191 -0.577 -11.181 1.00 10.35 N ATOM 1122 CA ILE A 73 6.271 -1.033 -12.215 1.00 70.44 C ATOM 1123 C ILE A 73 4.822 -0.910 -11.755 1.00 3.41 C ATOM 1124 O ILE A 73 4.029 -0.187 -12.356 1.00 51.33 O ATOM 1125 CB ILE A 73 6.550 -2.495 -12.611 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.051 -2.718 -12.800 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.791 -2.853 -13.881 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.397 -4.092 -13.328 1.00 20.44 C ATOM 0 H ILE A 73 7.759 -1.315 -10.766 1.00 10.35 H new ATOM 0 HA ILE A 73 6.429 -0.393 -13.083 1.00 70.44 H new ATOM 0 HB ILE A 73 6.204 -3.146 -11.808 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.438 -1.966 -13.487 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.555 -2.567 -11.846 1.00 5.34 H new ATOM 0 HG21 ILE A 73 5.998 -3.889 -14.149 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.721 -2.728 -13.713 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.110 -2.198 -14.692 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.478 -4.178 -13.437 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.041 -4.850 -12.630 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.922 -4.239 -14.298 1.00 20.44 H new ATOM 1140 N SER A 74 4.485 -1.622 -10.684 1.00 34.22 N ATOM 1141 CA SER A 74 3.131 -1.594 -10.143 1.00 34.44 C ATOM 1142 C SER A 74 2.702 -0.165 -9.824 1.00 12.00 C ATOM 1143 O SER A 74 1.516 0.161 -9.856 1.00 4.54 O ATOM 1144 CB SER A 74 3.043 -2.458 -8.884 1.00 32.15 C ATOM 1145 OG SER A 74 2.344 -1.785 -7.851 1.00 43.53 O ATOM 0 H SER A 74 5.131 -2.225 -10.174 1.00 34.22 H new ATOM 0 HA SER A 74 2.457 -1.997 -10.899 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.539 -3.396 -9.117 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.047 -2.712 -8.543 1.00 32.15 H new ATOM 0 HG SER A 74 1.476 -2.217 -7.709 1.00 43.53 H new ATOM 1151 N GLY A 75 3.678 0.685 -9.517 1.00 30.23 N ATOM 1152 CA GLY A 75 3.383 2.069 -9.196 1.00 71.54 C ATOM 1153 C GLY A 75 3.061 2.893 -10.426 1.00 52.41 C ATOM 1154 O GLY A 75 2.744 4.078 -10.323 1.00 72.55 O ATOM 0 H GLY A 75 4.667 0.439 -9.485 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.540 2.107 -8.506 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.237 2.509 -8.681 1.00 71.54 H new ATOM 1158 N LYS A 76 3.144 2.266 -11.594 1.00 72.22 N ATOM 1159 CA LYS A 76 2.859 2.948 -12.851 1.00 63.32 C ATOM 1160 C LYS A 76 3.917 4.007 -13.146 1.00 4.25 C ATOM 1161 O LYS A 76 3.782 4.790 -14.087 1.00 51.51 O ATOM 1162 CB LYS A 76 1.474 3.597 -12.801 1.00 43.21 C ATOM 1163 CG LYS A 76 1.515 5.111 -12.678 1.00 10.13 C ATOM 1164 CD LYS A 76 0.216 5.660 -12.113 1.00 41.34 C ATOM 1165 CE LYS A 76 0.299 7.161 -11.884 1.00 40.22 C ATOM 1166 NZ LYS A 76 -0.395 7.571 -10.632 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.407 1.286 -11.697 1.00 72.22 H new ATOM 0 HA LYS A 76 2.877 2.207 -13.650 1.00 63.32 H new ATOM 0 HB2 LYS A 76 0.924 3.329 -13.703 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.920 3.187 -11.956 1.00 43.21 H new ATOM 0 HG2 LYS A 76 2.345 5.402 -12.034 1.00 10.13 H new ATOM 0 HG3 LYS A 76 1.702 5.552 -13.657 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.602 5.440 -12.799 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.013 5.159 -11.172 1.00 41.34 H new ATOM 0 HE2 LYS A 76 1.345 7.463 -11.835 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -0.144 7.683 -12.732 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -0.315 8.601 -10.512 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -1.399 7.306 -10.689 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 0.044 7.093 -9.819 1.00 53.25 H new ATOM 1180 N THR A 77 4.973 4.024 -12.338 1.00 13.43 N ATOM 1181 CA THR A 77 6.054 4.986 -12.513 1.00 43.43 C ATOM 1182 C THR A 77 7.100 4.464 -13.493 1.00 63.21 C ATOM 1183 O THR A 77 7.659 5.226 -14.282 1.00 21.54 O ATOM 1184 CB THR A 77 6.740 5.310 -11.173 1.00 71.41 C ATOM 1185 OG1 THR A 77 5.905 6.175 -10.394 1.00 24.34 O ATOM 1186 CG2 THR A 77 8.091 5.971 -11.402 1.00 61.23 C ATOM 0 H THR A 77 5.102 3.382 -11.556 1.00 13.43 H new ATOM 0 HA THR A 77 5.606 5.896 -12.913 1.00 43.43 H new ATOM 0 HB THR A 77 6.898 4.376 -10.635 1.00 71.41 H new ATOM 0 HG1 THR A 77 6.346 6.376 -9.542 1.00 24.34 H new ATOM 0 HG21 THR A 77 8.556 6.190 -10.441 1.00 61.23 H new ATOM 0 HG22 THR A 77 8.733 5.299 -11.971 1.00 61.23 H new ATOM 0 HG23 THR A 77 7.953 6.898 -11.958 1.00 61.23 H new ATOM 1194 N LEU A 78 7.358 3.163 -13.437 1.00 61.23 N ATOM 1195 CA LEU A 78 8.337 2.539 -14.321 1.00 64.41 C ATOM 1196 C LEU A 78 7.700 1.414 -15.132 1.00 4.21 C ATOM 1197 O LEU A 78 6.568 1.008 -14.868 1.00 64.35 O ATOM 1198 CB LEU A 78 9.513 1.993 -13.508 1.00 40.00 C ATOM 1199 CG LEU A 78 10.834 1.836 -14.262 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.988 2.384 -13.436 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.075 0.377 -14.616 1.00 52.03 C ATOM 0 H LEU A 78 6.904 2.519 -12.789 1.00 61.23 H new ATOM 0 HA LEU A 78 8.702 3.299 -15.012 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.679 2.654 -12.658 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.230 1.021 -13.105 1.00 40.00 H new ATOM 0 HG LEU A 78 10.773 2.408 -15.188 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.920 2.264 -13.988 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.820 3.442 -13.233 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.052 1.840 -12.494 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.019 0.284 -15.152 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.116 -0.217 -13.703 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.263 0.017 -15.247 1.00 52.03 H new ATOM 1213 N THR A 79 8.436 0.914 -16.120 1.00 53.44 N ATOM 1214 CA THR A 79 7.945 -0.164 -16.968 1.00 2.24 C ATOM 1215 C THR A 79 8.942 -1.316 -17.028 1.00 31.21 C ATOM 1216 O THR A 79 10.151 -1.109 -16.924 1.00 53.42 O ATOM 1217 CB THR A 79 7.664 0.332 -18.399 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.872 0.814 -18.996 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.619 1.437 -18.395 1.00 71.32 C ATOM 0 H THR A 79 9.375 1.239 -16.352 1.00 53.44 H new ATOM 0 HA THR A 79 7.014 -0.517 -16.523 1.00 2.24 H new ATOM 0 HB THR A 79 7.280 -0.506 -18.981 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.685 1.126 -19.906 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.438 1.770 -19.417 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.691 1.058 -17.967 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.978 2.275 -17.798 1.00 71.32 H new ATOM 1227 N VAL A 80 8.427 -2.529 -17.197 1.00 5.33 N ATOM 1228 CA VAL A 80 9.273 -3.714 -17.272 1.00 10.20 C ATOM 1229 C VAL A 80 10.392 -3.527 -18.291 1.00 63.11 C ATOM 1230 O VAL A 80 11.527 -3.945 -18.067 1.00 72.02 O ATOM 1231 CB VAL A 80 8.456 -4.965 -17.647 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.360 -6.184 -17.748 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.345 -5.198 -16.634 1.00 54.23 C ATOM 0 H VAL A 80 7.428 -2.717 -17.285 1.00 5.33 H new ATOM 0 HA VAL A 80 9.707 -3.856 -16.282 1.00 10.20 H new ATOM 0 HB VAL A 80 7.999 -4.800 -18.623 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.765 -7.058 -18.014 1.00 32.31 H new ATOM 0 HG12 VAL A 80 10.116 -6.014 -18.514 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.848 -6.356 -16.789 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.778 -6.086 -16.914 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.779 -5.342 -15.645 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.681 -4.334 -16.617 1.00 54.23 H new ATOM 1243 N GLY A 81 10.062 -2.896 -19.413 1.00 1.42 N ATOM 1244 CA GLY A 81 11.049 -2.664 -20.452 1.00 4.53 C ATOM 1245 C GLY A 81 12.217 -1.829 -19.964 1.00 72.43 C ATOM 1246 O GLY A 81 13.364 -2.075 -20.340 1.00 54.32 O ATOM 0 H GLY A 81 9.129 -2.541 -19.622 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.419 -3.622 -20.819 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.574 -2.162 -21.295 1.00 4.53 H new ATOM 1250 N ASP A 82 11.927 -0.839 -19.127 1.00 14.13 N ATOM 1251 CA ASP A 82 12.961 0.035 -18.589 1.00 21.43 C ATOM 1252 C ASP A 82 13.869 -0.726 -17.626 1.00 23.42 C ATOM 1253 O ASP A 82 15.089 -0.566 -17.652 1.00 72.21 O ATOM 1254 CB ASP A 82 12.328 1.231 -17.875 1.00 22.14 C ATOM 1255 CG ASP A 82 12.420 2.505 -18.690 1.00 13.02 C ATOM 1256 OD1 ASP A 82 11.382 2.937 -19.235 1.00 14.15 O ATOM 1257 OD2 ASP A 82 13.528 3.072 -18.782 1.00 41.32 O1- ATOM 0 H ASP A 82 10.983 -0.622 -18.807 1.00 14.13 H new ATOM 0 HA ASP A 82 13.565 0.397 -19.421 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.281 1.012 -17.664 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.822 1.381 -16.915 1.00 22.14 H new ATOM 1262 N ALA A 83 13.264 -1.552 -16.779 1.00 45.42 N ATOM 1263 CA ALA A 83 14.018 -2.338 -15.810 1.00 21.54 C ATOM 1264 C ALA A 83 14.806 -3.448 -16.497 1.00 74.42 C ATOM 1265 O ALA A 83 15.912 -3.790 -16.075 1.00 71.11 O ATOM 1266 CB ALA A 83 13.081 -2.922 -14.763 1.00 12.34 C ATOM 0 H ALA A 83 12.255 -1.694 -16.744 1.00 45.42 H new ATOM 0 HA ALA A 83 14.730 -1.676 -15.317 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.656 -3.507 -14.045 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.567 -2.113 -14.243 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.347 -3.565 -15.249 1.00 12.34 H new ATOM 1272 N LEU A 84 14.231 -4.007 -17.555 1.00 41.30 N ATOM 1273 CA LEU A 84 14.880 -5.080 -18.301 1.00 72.41 C ATOM 1274 C LEU A 84 16.245 -4.635 -18.818 1.00 23.24 C ATOM 1275 O LEU A 84 17.251 -5.312 -18.606 1.00 61.34 O ATOM 1276 CB LEU A 84 13.998 -5.521 -19.470 1.00 54.12 C ATOM 1277 CG LEU A 84 13.644 -7.008 -19.520 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.879 -7.841 -19.826 1.00 35.23 C ATOM 1279 CD2 LEU A 84 13.013 -7.449 -18.208 1.00 24.15 C ATOM 0 H LEU A 84 13.317 -3.736 -17.916 1.00 41.30 H new ATOM 0 HA LEU A 84 15.025 -5.923 -17.625 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.071 -4.948 -19.436 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.502 -5.257 -20.399 1.00 54.12 H new ATOM 0 HG LEU A 84 12.920 -7.163 -20.320 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.608 -8.896 -19.858 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.289 -7.543 -20.791 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.627 -7.682 -19.049 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.767 -8.510 -18.261 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.715 -7.279 -17.392 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.104 -6.874 -18.030 1.00 24.15 H new ATOM 1291 N LYS A 85 16.271 -3.493 -19.496 1.00 13.23 N ATOM 1292 CA LYS A 85 17.512 -2.955 -20.041 1.00 53.44 C ATOM 1293 C LYS A 85 18.585 -2.859 -18.960 1.00 73.11 C ATOM 1294 O LYS A 85 19.724 -3.273 -19.167 1.00 1.12 O ATOM 1295 CB LYS A 85 17.268 -1.575 -20.656 1.00 25.42 C ATOM 1296 CG LYS A 85 17.794 -1.438 -22.074 1.00 52.24 C ATOM 1297 CD LYS A 85 17.734 0.001 -22.555 1.00 12.13 C ATOM 1298 CE LYS A 85 16.301 0.506 -22.625 1.00 30.01 C ATOM 1299 NZ LYS A 85 15.891 0.822 -24.022 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.447 -2.922 -19.681 1.00 13.23 H new ATOM 0 HA LYS A 85 17.863 -3.635 -20.817 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.197 -1.370 -20.653 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.739 -0.819 -20.028 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.823 -1.794 -22.117 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.210 -2.070 -22.742 1.00 52.24 H new ATOM 0 HD2 LYS A 85 18.312 0.635 -21.882 1.00 12.13 H new ATOM 0 HD3 LYS A 85 18.196 0.076 -23.539 1.00 12.13 H new ATOM 0 HE2 LYS A 85 15.630 -0.247 -22.211 1.00 30.01 H new ATOM 0 HE3 LYS A 85 16.200 1.398 -22.006 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 14.908 1.163 -24.027 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 16.515 1.559 -24.409 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 15.963 -0.035 -24.607 1.00 0.02 H new ATOM 1313 N GLN A 86 18.210 -2.311 -17.808 1.00 11.43 N ATOM 1314 CA GLN A 86 19.140 -2.163 -16.696 1.00 53.23 C ATOM 1315 C GLN A 86 19.530 -3.522 -16.127 1.00 21.22 C ATOM 1316 O GLN A 86 20.667 -3.725 -15.700 1.00 41.42 O ATOM 1317 CB GLN A 86 18.521 -1.295 -15.598 1.00 12.42 C ATOM 1318 CG GLN A 86 18.011 0.046 -16.098 1.00 73.05 C ATOM 1319 CD GLN A 86 17.823 1.053 -14.981 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.782 1.675 -14.523 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.584 1.219 -14.535 1.00 61.43 N ATOM 0 H GLN A 86 17.270 -1.963 -17.621 1.00 11.43 H new ATOM 0 HA GLN A 86 20.040 -1.676 -17.071 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.696 -1.839 -15.138 1.00 12.42 H new ATOM 0 HB3 GLN A 86 19.264 -1.124 -14.819 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.713 0.447 -16.829 1.00 73.05 H new ATOM 0 HG3 GLN A 86 17.062 -0.100 -16.614 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.819 0.682 -14.944 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.397 1.883 -13.784 1.00 61.43 H new ATOM 1330 N GLY A 87 18.579 -4.452 -16.122 1.00 0.43 N ATOM 1331 CA GLY A 87 18.843 -5.780 -15.603 1.00 2.32 C ATOM 1332 C GLY A 87 18.312 -5.968 -14.194 1.00 44.42 C ATOM 1333 O GLY A 87 18.952 -6.613 -13.362 1.00 32.22 O ATOM 0 H GLY A 87 17.630 -4.308 -16.468 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.389 -6.521 -16.261 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.918 -5.963 -15.611 1.00 2.32 H new ATOM 1337 N LYS A 88 17.141 -5.402 -13.926 1.00 21.33 N ATOM 1338 CA LYS A 88 16.523 -5.510 -12.609 1.00 11.34 C ATOM 1339 C LYS A 88 15.883 -6.881 -12.419 1.00 1.12 C ATOM 1340 O LYS A 88 15.859 -7.416 -11.310 1.00 61.44 O ATOM 1341 CB LYS A 88 15.472 -4.413 -12.425 1.00 75.34 C ATOM 1342 CG LYS A 88 16.013 -3.010 -12.633 1.00 24.51 C ATOM 1343 CD LYS A 88 16.588 -2.438 -11.347 1.00 73.13 C ATOM 1344 CE LYS A 88 18.084 -2.191 -11.468 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.630 -1.499 -10.267 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.600 -4.864 -14.603 1.00 21.33 H new ATOM 0 HA LYS A 88 17.303 -5.386 -11.858 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.654 -4.585 -13.124 1.00 75.34 H new ATOM 0 HB3 LYS A 88 15.054 -4.487 -11.421 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.785 -3.027 -13.402 1.00 24.51 H new ATOM 0 HG3 LYS A 88 15.216 -2.362 -12.996 1.00 24.51 H new ATOM 0 HD2 LYS A 88 16.082 -1.503 -11.105 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.397 -3.126 -10.524 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.599 -3.142 -11.605 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.282 -1.590 -12.355 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 19.652 -1.349 -10.388 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 18.156 -0.581 -10.150 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.463 -2.084 -9.424 1.00 30.44 H new ATOM 1359 N ILE A 89 15.367 -7.443 -13.505 1.00 4.34 N ATOM 1360 CA ILE A 89 14.729 -8.753 -13.458 1.00 61.10 C ATOM 1361 C ILE A 89 15.700 -9.853 -13.874 1.00 40.34 C ATOM 1362 O ILE A 89 16.333 -9.769 -14.926 1.00 73.31 O ATOM 1363 CB ILE A 89 13.487 -8.808 -14.366 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.576 -7.609 -14.095 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.732 -10.112 -14.153 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.479 -7.440 -15.122 1.00 63.11 C ATOM 0 H ILE A 89 15.378 -7.012 -14.429 1.00 4.34 H new ATOM 0 HA ILE A 89 14.420 -8.916 -12.425 1.00 61.10 H new ATOM 0 HB ILE A 89 13.813 -8.765 -15.405 1.00 34.53 H new ATOM 0 HG12 ILE A 89 12.125 -7.721 -13.109 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.180 -6.702 -14.068 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.857 -10.136 -14.802 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.383 -10.953 -14.391 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.414 -10.183 -13.113 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.872 -6.571 -14.867 1.00 63.11 H new ATOM 0 HD12 ILE A 89 11.922 -7.296 -16.107 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.851 -8.331 -15.133 1.00 63.11 H new ATOM 1378 N GLU A 90 15.809 -10.885 -13.042 1.00 44.31 N ATOM 1379 CA GLU A 90 16.702 -12.002 -13.326 1.00 3.44 C ATOM 1380 C GLU A 90 15.961 -13.120 -14.053 1.00 63.21 C ATOM 1381 O GLU A 90 14.759 -13.312 -13.861 1.00 12.42 O ATOM 1382 CB GLU A 90 17.312 -12.539 -12.029 1.00 21.54 C ATOM 1383 CG GLU A 90 18.794 -12.237 -11.882 1.00 21.32 C ATOM 1384 CD GLU A 90 19.641 -13.492 -11.810 1.00 53.14 C ATOM 1385 OE1 GLU A 90 20.648 -13.486 -11.072 1.00 2.24 O ATOM 1386 OE2 GLU A 90 19.298 -14.479 -12.493 1.00 73.11 O1- ATOM 0 H GLU A 90 15.291 -10.970 -12.168 1.00 44.31 H new ATOM 0 HA GLU A 90 17.501 -11.639 -13.972 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.777 -12.111 -11.181 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.164 -13.618 -11.987 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.122 -11.629 -12.725 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.952 -11.644 -10.981 1.00 21.32 H new ATOM 1393 N LEU A 91 16.684 -13.855 -14.890 1.00 41.35 N ATOM 1394 CA LEU A 91 16.097 -14.955 -15.648 1.00 12.31 C ATOM 1395 C LEU A 91 16.726 -16.286 -15.252 1.00 71.23 C ATOM 1396 O LEU A 91 17.941 -16.463 -15.349 1.00 24.34 O ATOM 1397 CB LEU A 91 16.275 -14.719 -17.149 1.00 34.35 C ATOM 1398 CG LEU A 91 15.783 -13.371 -17.679 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.196 -13.187 -19.131 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.272 -13.261 -17.535 1.00 15.23 C ATOM 0 H LEU A 91 17.679 -13.709 -15.061 1.00 41.35 H new ATOM 0 HA LEU A 91 15.032 -14.995 -15.417 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.334 -14.817 -17.389 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.752 -15.511 -17.686 1.00 34.35 H new ATOM 0 HG LEU A 91 16.243 -12.579 -17.088 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.838 -12.223 -19.492 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.283 -13.222 -19.207 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.764 -13.984 -19.736 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.939 -12.296 -17.917 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.793 -14.060 -18.101 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.999 -13.348 -16.483 1.00 15.23 H new ATOM 1412 N SER A 92 15.892 -17.221 -14.810 1.00 62.30 N ATOM 1413 CA SER A 92 16.367 -18.538 -14.398 1.00 12.01 C ATOM 1414 C SER A 92 15.439 -19.634 -14.912 1.00 53.43 C ATOM 1415 O SER A 92 14.295 -19.749 -14.477 1.00 42.11 O ATOM 1416 CB SER A 92 16.470 -18.612 -12.874 1.00 32.04 C ATOM 1417 OG SER A 92 16.124 -17.374 -12.278 1.00 24.24 O ATOM 0 H SER A 92 14.884 -17.092 -14.728 1.00 62.30 H new ATOM 0 HA SER A 92 17.356 -18.693 -14.829 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.812 -19.396 -12.500 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.486 -18.885 -12.588 1.00 32.04 H new ATOM 0 HG SER A 92 16.196 -17.449 -11.304 1.00 24.24 H new ATOM 1423 N GLY A 93 15.944 -20.441 -15.841 1.00 72.14 N ATOM 1424 CA GLY A 93 15.148 -21.518 -16.399 1.00 41.14 C ATOM 1425 C GLY A 93 14.799 -21.287 -17.856 1.00 52.41 C ATOM 1426 O GLY A 93 15.574 -21.626 -18.750 1.00 72.03 O ATOM 0 H GLY A 93 16.890 -20.368 -16.216 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.695 -22.456 -16.304 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.230 -21.624 -15.821 1.00 41.14 H new ATOM 1430 N ASP A 94 13.626 -20.709 -18.096 1.00 50.01 N ATOM 1431 CA ASP A 94 13.175 -20.432 -19.455 1.00 42.00 C ATOM 1432 C ASP A 94 12.889 -18.945 -19.641 1.00 61.22 C ATOM 1433 O ASP A 94 11.791 -18.473 -19.345 1.00 24.31 O ATOM 1434 CB ASP A 94 11.922 -21.250 -19.775 1.00 44.20 C ATOM 1435 CG ASP A 94 12.112 -22.152 -20.978 1.00 62.13 C ATOM 1436 OD1 ASP A 94 11.261 -22.109 -21.892 1.00 22.23 O ATOM 1437 OD2 ASP A 94 13.110 -22.901 -21.007 1.00 42.01 O1- ATOM 0 H ASP A 94 12.971 -20.424 -17.368 1.00 50.01 H new ATOM 0 HA ASP A 94 13.972 -20.718 -20.142 1.00 42.00 H new ATOM 0 HB2 ASP A 94 11.656 -21.856 -18.909 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.087 -20.574 -19.960 1.00 44.20 H new ATOM 1442 N ALA A 95 13.883 -18.213 -20.131 1.00 52.22 N ATOM 1443 CA ALA A 95 13.738 -16.780 -20.356 1.00 61.03 C ATOM 1444 C ALA A 95 12.645 -16.495 -21.380 1.00 63.24 C ATOM 1445 O ALA A 95 12.046 -15.418 -21.379 1.00 24.01 O ATOM 1446 CB ALA A 95 15.061 -16.181 -20.811 1.00 22.22 C ATOM 0 H ALA A 95 14.798 -18.589 -20.380 1.00 52.22 H new ATOM 0 HA ALA A 95 13.447 -16.315 -19.414 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.938 -15.110 -20.975 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.818 -16.346 -20.044 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.376 -16.657 -21.740 1.00 22.22 H new ATOM 1452 N ASP A 96 12.390 -17.463 -22.253 1.00 31.21 N ATOM 1453 CA ASP A 96 11.369 -17.315 -23.283 1.00 63.04 C ATOM 1454 C ASP A 96 9.979 -17.220 -22.661 1.00 71.11 C ATOM 1455 O ASP A 96 9.205 -16.316 -22.980 1.00 42.54 O ATOM 1456 CB ASP A 96 11.424 -18.491 -24.259 1.00 13.52 C ATOM 1457 CG ASP A 96 11.509 -18.041 -25.704 1.00 14.13 C ATOM 1458 OD1 ASP A 96 12.633 -17.985 -26.244 1.00 42.02 O ATOM 1459 OD2 ASP A 96 10.449 -17.746 -26.296 1.00 51.14 O1- ATOM 0 H ASP A 96 12.877 -18.359 -22.268 1.00 31.21 H new ATOM 0 HA ASP A 96 11.569 -16.392 -23.827 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.287 -19.114 -24.024 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.538 -19.111 -24.126 1.00 13.52 H new ATOM 1464 N LEU A 97 9.669 -18.156 -21.772 1.00 21.24 N ATOM 1465 CA LEU A 97 8.371 -18.179 -21.105 1.00 53.03 C ATOM 1466 C LEU A 97 8.127 -16.879 -20.347 1.00 34.03 C ATOM 1467 O LEU A 97 7.063 -16.271 -20.465 1.00 22.40 O ATOM 1468 CB LEU A 97 8.290 -19.366 -20.144 1.00 23.04 C ATOM 1469 CG LEU A 97 7.302 -20.469 -20.521 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.348 -21.599 -19.504 1.00 33.50 C ATOM 1471 CD2 LEU A 97 5.892 -19.907 -20.632 1.00 13.34 C ATOM 0 H LEU A 97 10.298 -18.910 -21.496 1.00 21.24 H new ATOM 0 HA LEU A 97 7.599 -18.284 -21.868 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.283 -19.808 -20.060 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.024 -18.990 -19.156 1.00 23.04 H new ATOM 0 HG LEU A 97 7.590 -20.871 -21.493 1.00 32.22 H new ATOM 0 HD11 LEU A 97 6.638 -22.375 -19.790 1.00 33.50 H new ATOM 0 HD12 LEU A 97 8.353 -22.020 -19.474 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.087 -21.213 -18.519 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.202 -20.707 -20.901 1.00 13.34 H new ATOM 0 HD22 LEU A 97 5.595 -19.478 -19.675 1.00 13.34 H new ATOM 0 HD23 LEU A 97 5.868 -19.133 -21.399 1.00 13.34 H new ATOM 1483 N ALA A 98 9.119 -16.456 -19.570 1.00 51.02 N ATOM 1484 CA ALA A 98 9.013 -15.226 -18.796 1.00 72.21 C ATOM 1485 C ALA A 98 8.953 -14.007 -19.710 1.00 74.34 C ATOM 1486 O ALA A 98 8.109 -13.128 -19.533 1.00 70.15 O ATOM 1487 CB ALA A 98 10.182 -15.107 -17.830 1.00 43.44 C ATOM 0 H ALA A 98 10.006 -16.948 -19.460 1.00 51.02 H new ATOM 0 HA ALA A 98 8.086 -15.265 -18.223 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.089 -14.183 -17.259 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.179 -15.957 -17.148 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.117 -15.095 -18.390 1.00 43.44 H new ATOM 1493 N ALA A 99 9.854 -13.958 -20.685 1.00 41.25 N ATOM 1494 CA ALA A 99 9.902 -12.847 -21.627 1.00 41.24 C ATOM 1495 C ALA A 99 8.532 -12.590 -22.243 1.00 64.45 C ATOM 1496 O ALA A 99 8.112 -11.442 -22.396 1.00 63.22 O ATOM 1497 CB ALA A 99 10.930 -13.121 -22.715 1.00 14.33 C ATOM 0 H ALA A 99 10.561 -14.676 -20.843 1.00 41.25 H new ATOM 0 HA ALA A 99 10.199 -11.952 -21.080 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.955 -12.283 -23.411 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.914 -13.246 -22.263 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.659 -14.030 -23.251 1.00 14.33 H new ATOM 1503 N LYS A 100 7.836 -13.666 -22.596 1.00 1.23 N ATOM 1504 CA LYS A 100 6.511 -13.558 -23.196 1.00 72.44 C ATOM 1505 C LYS A 100 5.572 -12.755 -22.301 1.00 13.34 C ATOM 1506 O LYS A 100 4.803 -11.921 -22.780 1.00 61.21 O ATOM 1507 CB LYS A 100 5.927 -14.949 -23.448 1.00 31.43 C ATOM 1508 CG LYS A 100 6.366 -15.564 -24.765 1.00 4.53 C ATOM 1509 CD LYS A 100 5.226 -16.311 -25.439 1.00 22.41 C ATOM 1510 CE LYS A 100 5.591 -16.724 -26.857 1.00 35.11 C ATOM 1511 NZ LYS A 100 4.510 -17.521 -27.498 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.168 -14.623 -22.477 1.00 1.23 H new ATOM 0 HA LYS A 100 6.612 -13.036 -24.147 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.220 -15.610 -22.632 1.00 31.43 H new ATOM 0 HB3 LYS A 100 4.839 -14.885 -23.431 1.00 31.43 H new ATOM 0 HG2 LYS A 100 6.732 -14.781 -25.429 1.00 4.53 H new ATOM 0 HG3 LYS A 100 7.197 -16.248 -24.590 1.00 4.53 H new ATOM 0 HD2 LYS A 100 4.974 -17.196 -24.855 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.338 -15.679 -25.460 1.00 22.41 H new ATOM 0 HE2 LYS A 100 5.789 -15.834 -27.455 1.00 35.11 H new ATOM 0 HE3 LYS A 100 6.511 -17.308 -26.840 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 4.797 -17.783 -28.463 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 4.338 -18.383 -26.942 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.638 -16.955 -27.538 1.00 40.13 H new ATOM 1525 N LEU A 101 5.641 -13.011 -20.999 1.00 12.30 N ATOM 1526 CA LEU A 101 4.798 -12.310 -20.036 1.00 3.23 C ATOM 1527 C LEU A 101 4.955 -10.799 -20.173 1.00 62.45 C ATOM 1528 O LEU A 101 3.969 -10.064 -20.221 1.00 14.21 O ATOM 1529 CB LEU A 101 5.148 -12.744 -18.612 1.00 62.20 C ATOM 1530 CG LEU A 101 4.048 -13.479 -17.845 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.475 -13.725 -16.406 1.00 50.44 C ATOM 1532 CD2 LEU A 101 2.748 -12.690 -17.892 1.00 34.24 C ATOM 0 H LEU A 101 6.271 -13.698 -20.586 1.00 12.30 H new ATOM 0 HA LEU A 101 3.760 -12.569 -20.243 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.026 -13.389 -18.655 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.431 -11.858 -18.043 1.00 62.20 H new ATOM 0 HG LEU A 101 3.880 -14.445 -18.322 1.00 45.40 H new ATOM 0 HD11 LEU A 101 3.680 -14.249 -15.875 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.381 -14.332 -16.394 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.671 -12.771 -15.916 1.00 50.44 H new ATOM 0 HD21 LEU A 101 1.976 -13.228 -17.341 1.00 34.24 H new ATOM 0 HD22 LEU A 101 2.901 -11.710 -17.440 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.435 -12.566 -18.929 1.00 34.24 H new ATOM 1544 N ALA A 102 6.202 -10.343 -20.237 1.00 31.42 N ATOM 1545 CA ALA A 102 6.488 -8.919 -20.372 1.00 1.32 C ATOM 1546 C ALA A 102 5.670 -8.300 -21.501 1.00 62.44 C ATOM 1547 O ALA A 102 5.172 -7.182 -21.377 1.00 20.35 O ATOM 1548 CB ALA A 102 7.974 -8.700 -20.612 1.00 64.24 C ATOM 0 H ALA A 102 7.030 -10.938 -20.198 1.00 31.42 H new ATOM 0 HA ALA A 102 6.205 -8.426 -19.442 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.173 -7.633 -20.711 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.541 -9.099 -19.771 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.274 -9.211 -21.527 1.00 64.24 H new ATOM 1554 N GLU A 103 5.539 -9.034 -22.602 1.00 45.13 N ATOM 1555 CA GLU A 103 4.783 -8.555 -23.753 1.00 0.13 C ATOM 1556 C GLU A 103 3.383 -8.112 -23.338 1.00 54.13 C ATOM 1557 O GLU A 103 2.817 -7.182 -23.914 1.00 43.44 O ATOM 1558 CB GLU A 103 4.689 -9.647 -24.820 1.00 65.34 C ATOM 1559 CG GLU A 103 3.391 -10.435 -24.772 1.00 71.40 C ATOM 1560 CD GLU A 103 3.451 -11.708 -25.593 1.00 43.23 C ATOM 1561 OE1 GLU A 103 3.613 -11.610 -26.828 1.00 35.33 O ATOM 1562 OE2 GLU A 103 3.336 -12.803 -25.003 1.00 44.42 O1- ATOM 0 H GLU A 103 5.946 -9.962 -22.721 1.00 45.13 H new ATOM 0 HA GLU A 103 5.309 -7.696 -24.169 1.00 0.13 H new ATOM 0 HB2 GLU A 103 4.791 -9.191 -25.805 1.00 65.34 H new ATOM 0 HB3 GLU A 103 5.526 -10.334 -24.699 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.160 -10.685 -23.737 1.00 71.40 H new ATOM 0 HG3 GLU A 103 2.577 -9.809 -25.138 1.00 71.40 H new ATOM 1569 N VAL A 104 2.828 -8.785 -22.335 1.00 33.41 N ATOM 1570 CA VAL A 104 1.495 -8.462 -21.842 1.00 23.33 C ATOM 1571 C VAL A 104 1.526 -7.236 -20.937 1.00 20.50 C ATOM 1572 O VAL A 104 0.546 -6.496 -20.844 1.00 4.15 O ATOM 1573 CB VAL A 104 0.881 -9.644 -21.067 1.00 33.51 C ATOM 1574 CG1 VAL A 104 -0.621 -9.460 -20.916 1.00 74.10 C ATOM 1575 CG2 VAL A 104 1.199 -10.959 -21.762 1.00 43.11 C ATOM 0 H VAL A 104 3.282 -9.558 -21.848 1.00 33.41 H new ATOM 0 HA VAL A 104 0.878 -8.250 -22.715 1.00 23.33 H new ATOM 0 HB VAL A 104 1.321 -9.671 -20.070 1.00 33.51 H new ATOM 0 HG11 VAL A 104 -1.038 -10.304 -20.366 1.00 74.10 H new ATOM 0 HG12 VAL A 104 -0.822 -8.538 -20.371 1.00 74.10 H new ATOM 0 HG13 VAL A 104 -1.082 -9.406 -21.902 1.00 74.10 H new ATOM 0 HG21 VAL A 104 0.758 -11.783 -21.201 1.00 43.11 H new ATOM 0 HG22 VAL A 104 0.788 -10.946 -22.771 1.00 43.11 H new ATOM 0 HG23 VAL A 104 2.280 -11.092 -21.812 1.00 43.11 H new ATOM 1585 N ILE A 105 2.656 -7.027 -20.271 1.00 64.50 N ATOM 1586 CA ILE A 105 2.815 -5.889 -19.374 1.00 64.45 C ATOM 1587 C ILE A 105 3.115 -4.613 -20.153 1.00 25.40 C ATOM 1588 O ILE A 105 2.646 -3.531 -19.797 1.00 74.01 O ATOM 1589 CB ILE A 105 3.943 -6.130 -18.354 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.592 -7.308 -17.442 1.00 71.41 C ATOM 1591 CG2 ILE A 105 4.192 -4.874 -17.532 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.699 -7.679 -16.481 1.00 20.20 C ATOM 0 H ILE A 105 3.475 -7.631 -20.335 1.00 64.50 H new ATOM 0 HA ILE A 105 1.872 -5.774 -18.841 1.00 64.45 H new ATOM 0 HB ILE A 105 4.857 -6.373 -18.896 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.695 -7.062 -16.873 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.351 -8.174 -18.058 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.992 -5.061 -16.816 1.00 10.31 H new ATOM 0 HG22 ILE A 105 4.481 -4.057 -18.194 1.00 10.31 H new ATOM 0 HG23 ILE A 105 3.282 -4.603 -16.997 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.380 -8.521 -15.867 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.591 -7.957 -17.043 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.925 -6.827 -15.840 1.00 20.20 H new ATOM 1604 N HIS A 106 3.897 -4.747 -21.220 1.00 4.44 N ATOM 1605 CA HIS A 106 4.257 -3.604 -22.052 1.00 52.41 C ATOM 1606 C HIS A 106 3.011 -2.855 -22.515 1.00 72.24 C ATOM 1607 O HIS A 106 2.312 -3.297 -23.428 1.00 4.11 O ATOM 1608 CB HIS A 106 5.070 -4.064 -23.262 1.00 33.32 C ATOM 1609 CG HIS A 106 6.548 -4.076 -23.022 1.00 62.22 C ATOM 1610 ND1 HIS A 106 7.161 -4.950 -22.150 1.00 53.42 N ATOM 1611 CD2 HIS A 106 7.537 -3.315 -23.546 1.00 33.43 C ATOM 1612 CE1 HIS A 106 8.463 -4.726 -22.147 1.00 21.21 C ATOM 1613 NE2 HIS A 106 8.717 -3.738 -22.986 1.00 23.34 N ATOM 0 H HIS A 106 4.293 -5.635 -21.529 1.00 4.44 H new ATOM 0 HA HIS A 106 4.864 -2.926 -21.452 1.00 52.41 H new ATOM 0 HB2 HIS A 106 4.748 -5.066 -23.546 1.00 33.32 H new ATOM 0 HB3 HIS A 106 4.853 -3.409 -24.106 1.00 33.32 H new ATOM 0 HD1 HIS A 106 6.684 -5.659 -21.594 1.00 53.42 H new ATOM 0 HD2 HIS A 106 7.420 -2.522 -24.270 1.00 33.43 H new ATOM 0 HE1 HIS A 106 9.195 -5.260 -21.559 1.00 21.21 H new ATOM 1621 N HIS A 107 2.738 -1.719 -21.880 1.00 10.53 N ATOM 1622 CA HIS A 107 1.575 -0.910 -22.227 1.00 31.12 C ATOM 1623 C HIS A 107 1.971 0.241 -23.147 1.00 63.22 C ATOM 1624 O HIS A 107 1.439 1.347 -23.040 1.00 44.22 O ATOM 1625 CB HIS A 107 0.913 -0.362 -20.963 1.00 2.41 C ATOM 1626 CG HIS A 107 1.823 0.484 -20.128 1.00 35.31 C ATOM 1627 ND1 HIS A 107 1.882 1.858 -20.234 1.00 74.24 N ATOM 1628 CD2 HIS A 107 2.715 0.145 -19.167 1.00 40.51 C ATOM 1629 CE1 HIS A 107 2.771 2.327 -19.376 1.00 60.13 C ATOM 1630 NE2 HIS A 107 3.290 1.307 -18.716 1.00 32.02 N ATOM 0 H HIS A 107 3.306 -1.338 -21.123 1.00 10.53 H new ATOM 0 HA HIS A 107 0.864 -1.546 -22.754 1.00 31.12 H new ATOM 0 HB2 HIS A 107 0.041 0.227 -21.246 1.00 2.41 H new ATOM 0 HB3 HIS A 107 0.552 -1.196 -20.361 1.00 2.41 H new ATOM 0 HD1 HIS A 107 1.326 2.424 -20.875 1.00 74.24 H new ATOM 0 HD2 HIS A 107 2.933 -0.854 -18.820 1.00 40.51 H new ATOM 0 HE1 HIS A 107 3.029 3.367 -19.238 1.00 60.13 H new ATOM 1638 N HIS A 108 2.907 -0.026 -24.053 1.00 45.32 N ATOM 1639 CA HIS A 108 3.374 0.987 -24.993 1.00 4.03 C ATOM 1640 C HIS A 108 2.215 1.537 -25.819 1.00 72.22 C ATOM 1641 O HIS A 108 1.123 0.968 -25.830 1.00 3.23 O ATOM 1642 CB HIS A 108 4.443 0.403 -25.917 1.00 41.24 C ATOM 1643 CG HIS A 108 5.798 1.010 -25.724 1.00 54.24 C ATOM 1644 ND1 HIS A 108 6.127 2.273 -26.171 1.00 72.21 N ATOM 1645 CD2 HIS A 108 6.911 0.522 -25.127 1.00 62.05 C ATOM 1646 CE1 HIS A 108 7.384 2.534 -25.860 1.00 12.10 C ATOM 1647 NE2 HIS A 108 7.882 1.488 -25.224 1.00 53.45 N ATOM 0 H HIS A 108 3.357 -0.936 -24.156 1.00 45.32 H new ATOM 0 HA HIS A 108 3.809 1.806 -24.420 1.00 4.03 H new ATOM 0 HB2 HIS A 108 4.508 -0.672 -25.749 1.00 41.24 H new ATOM 0 HB3 HIS A 108 4.134 0.546 -26.952 1.00 41.24 H new ATOM 0 HD2 HIS A 108 7.016 -0.447 -24.661 1.00 62.05 H new ATOM 0 HE1 HIS A 108 7.915 3.447 -26.087 1.00 12.10 H new ATOM 0 HE2 HIS A 108 8.833 1.411 -24.864 1.00 53.45 H new ATOM 1655 N HIS A 109 2.460 2.646 -26.510 1.00 52.35 N ATOM 1656 CA HIS A 109 1.437 3.271 -27.338 1.00 11.14 C ATOM 1657 C HIS A 109 1.573 2.832 -28.794 1.00 61.53 C ATOM 1658 O HIS A 109 1.189 3.559 -29.711 1.00 23.40 O ATOM 1659 CB HIS A 109 1.533 4.795 -27.242 1.00 3.42 C ATOM 1660 CG HIS A 109 2.880 5.334 -27.618 1.00 63.42 C ATOM 1661 ND1 HIS A 109 3.352 5.340 -28.912 1.00 45.04 N ATOM 1662 CD2 HIS A 109 3.853 5.890 -26.860 1.00 32.11 C ATOM 1663 CE1 HIS A 109 4.560 5.875 -28.935 1.00 34.32 C ATOM 1664 NE2 HIS A 109 4.887 6.217 -27.701 1.00 11.45 N ATOM 0 H HIS A 109 3.358 3.129 -26.512 1.00 52.35 H new ATOM 0 HA HIS A 109 0.462 2.952 -26.970 1.00 11.14 H new ATOM 0 HB2 HIS A 109 0.778 5.240 -27.890 1.00 3.42 H new ATOM 0 HB3 HIS A 109 1.299 5.102 -26.223 1.00 3.42 H new ATOM 0 HD1 HIS A 109 2.848 4.987 -29.725 1.00 45.04 H new ATOM 0 HD2 HIS A 109 3.822 6.047 -25.792 1.00 32.11 H new ATOM 0 HE1 HIS A 109 5.175 6.010 -29.812 1.00 34.32 H new ATOM 1672 N HIS A 110 2.123 1.640 -28.998 1.00 63.25 N ATOM 1673 CA HIS A 110 2.309 1.104 -30.342 1.00 60.44 C ATOM 1674 C HIS A 110 3.051 2.103 -31.226 1.00 41.24 C ATOM 1675 O HIS A 110 3.565 3.113 -30.744 1.00 3.33 O ATOM 1676 CB HIS A 110 0.959 0.756 -30.967 1.00 25.35 C ATOM 1677 CG HIS A 110 0.866 -0.662 -31.439 1.00 31.33 C ATOM 1678 ND1 HIS A 110 0.305 -1.019 -32.648 1.00 3.51 N ATOM 1679 CD2 HIS A 110 1.267 -1.817 -30.858 1.00 15.11 C ATOM 1680 CE1 HIS A 110 0.364 -2.330 -32.789 1.00 32.02 C ATOM 1681 NE2 HIS A 110 0.944 -2.839 -31.716 1.00 44.22 N ATOM 0 H HIS A 110 2.448 1.027 -28.251 1.00 63.25 H new ATOM 0 HA HIS A 110 2.909 0.197 -30.266 1.00 60.44 H new ATOM 0 HB2 HIS A 110 0.171 0.940 -30.236 1.00 25.35 H new ATOM 0 HB3 HIS A 110 0.775 1.423 -31.809 1.00 25.35 H new ATOM 0 HD2 HIS A 110 1.751 -1.916 -29.898 1.00 15.11 H new ATOM 0 HE1 HIS A 110 0.000 -2.891 -33.637 1.00 32.02 H new ATOM 0 HE2 HIS A 110 1.123 -3.830 -31.552 1.00 44.22 H new ATOM 1689 N HIS A 111 3.102 1.813 -32.522 1.00 71.21 N ATOM 1690 CA HIS A 111 3.781 2.686 -33.474 1.00 52.02 C ATOM 1691 C HIS A 111 2.935 2.885 -34.727 1.00 34.54 C ATOM 1692 O HIS A 111 1.735 2.614 -34.694 1.00 65.33 O ATOM 1693 CB HIS A 111 5.143 2.103 -33.852 1.00 34.45 C ATOM 1694 CG HIS A 111 6.198 3.141 -34.077 1.00 61.54 C ATOM 1695 ND1 HIS A 111 7.535 2.837 -34.219 1.00 13.21 N ATOM 1696 CD2 HIS A 111 6.105 4.488 -34.188 1.00 3.44 C ATOM 1697 CE1 HIS A 111 8.220 3.952 -34.405 1.00 13.33 C ATOM 1698 NE2 HIS A 111 7.376 4.967 -34.391 1.00 25.24 N ATOM 0 H HIS A 111 2.682 0.981 -32.937 1.00 71.21 H new ATOM 0 HA HIS A 111 3.929 3.656 -32.998 1.00 52.02 H new ATOM 0 HB2 HIS A 111 5.472 1.428 -33.062 1.00 34.45 H new ATOM 0 HB3 HIS A 111 5.034 1.505 -34.757 1.00 34.45 H new ATOM 0 HD2 HIS A 111 5.201 5.075 -34.128 1.00 3.44 H new ATOM 0 HE1 HIS A 111 9.289 4.021 -34.545 1.00 13.33 H new ATOM 0 HE2 HIS A 111 7.627 5.948 -34.511 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -1.015 -16.695 -19.432 1.00 11.25 C HETATM 1708 O1 PLM A 201 0.087 -16.531 -18.646 1.00 30.44 O HETATM 1709 O2 PLM A 201 -2.000 -17.338 -19.083 1.00 43.03 O HETATM 1710 C2 PLM A 201 -0.892 -15.993 -20.810 1.00 21.42 C HETATM 1711 C3 PLM A 201 -0.952 -14.435 -20.626 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.099 -13.884 -19.460 1.00 40.30 C HETATM 1713 C5 PLM A 201 -0.897 -13.794 -18.145 1.00 45.00 C HETATM 1714 C6 PLM A 201 -0.021 -13.335 -16.965 1.00 34.21 C HETATM 1715 C7 PLM A 201 -0.795 -13.329 -15.632 1.00 23.23 C HETATM 1716 C8 PLM A 201 -1.172 -11.905 -15.183 1.00 50.35 C HETATM 1717 C9 PLM A 201 0.024 -11.147 -14.574 1.00 13.45 C HETATM 1718 CA PLM A 201 1.177 -12.055 -14.098 1.00 44.10 C HETATM 1719 CB PLM A 201 2.304 -11.196 -13.494 1.00 71.52 C HETATM 1720 CC PLM A 201 3.488 -12.261 -13.017 1.00 61.21 C HETATM 1721 CD PLM A 201 3.900 -12.005 -11.554 1.00 62.02 C HETATM 1722 CE PLM A 201 5.345 -12.454 -11.268 1.00 10.40 C HETATM 1723 CF PLM A 201 5.893 -13.384 -12.365 1.00 25.23 C HETATM 1724 CG PLM A 201 6.736 -14.524 -11.778 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.581 -14.107 -11.230 1.00 45.31 H new HETATM 0 HG2 PLM A 201 6.123 -15.119 -11.101 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.104 -15.157 -12.585 1.00 45.31 H new HETATM 0 HF2 PLM A 201 5.063 -13.802 -12.935 1.00 25.23 H new HETATM 0 HF1 PLM A 201 6.499 -12.806 -13.062 1.00 25.23 H new HETATM 0 HE2 PLM A 201 5.986 -11.577 -11.184 1.00 10.40 H new HETATM 0 HE1 PLM A 201 5.381 -12.968 -10.307 1.00 10.40 H new HETATM 0 HD2 PLM A 201 3.801 -10.943 -11.331 1.00 62.02 H new HETATM 0 HD1 PLM A 201 3.219 -12.535 -10.889 1.00 62.02 H new HETATM 0 HC2 PLM A 201 3.127 -13.284 -13.124 1.00 61.21 H new HETATM 0 HC1 PLM A 201 4.357 -12.160 -13.667 1.00 61.21 H new HETATM 0 HB2 PLM A 201 2.689 -10.487 -14.227 1.00 71.52 H new HETATM 0 HB1 PLM A 201 1.940 -10.613 -12.648 1.00 71.52 H new HETATM 0 HA2 PLM A 201 0.811 -12.764 -13.356 1.00 44.10 H new HETATM 0 HA1 PLM A 201 1.561 -12.639 -14.934 1.00 44.10 H new HETATM 0 H92 PLM A 201 0.411 -10.447 -15.315 1.00 13.45 H new HETATM 0 H91 PLM A 201 -0.328 -10.555 -13.730 1.00 13.45 H new HETATM 0 H82 PLM A 201 -1.556 -11.347 -16.037 1.00 50.35 H new HETATM 0 H81 PLM A 201 -1.977 -11.959 -14.450 1.00 50.35 H new HETATM 0 H72 PLM A 201 -1.701 -13.926 -15.737 1.00 23.23 H new HETATM 0 H71 PLM A 201 -0.189 -13.803 -14.860 1.00 23.23 H new HETATM 0 H62 PLM A 201 0.843 -13.994 -16.878 1.00 34.21 H new HETATM 0 H61 PLM A 201 0.361 -12.334 -17.166 1.00 34.21 H new HETATM 0 H52 PLM A 201 -1.726 -13.098 -18.272 1.00 45.00 H new HETATM 0 H51 PLM A 201 -1.330 -14.768 -17.917 1.00 45.00 H new HETATM 0 H42 PLM A 201 0.769 -14.526 -19.313 1.00 40.30 H new HETATM 0 H41 PLM A 201 0.277 -12.895 -19.723 1.00 40.30 H new HETATM 0 H32 PLM A 201 -0.625 -13.962 -21.552 1.00 43.24 H new HETATM 0 H31 PLM A 201 -1.990 -14.142 -20.468 1.00 43.24 H new HETATM 0 H22 PLM A 201 0.046 -16.275 -21.289 1.00 21.42 H new HETATM 0 H21 PLM A 201 -1.697 -16.321 -21.468 1.00 21.42 H new HETATM 0 H PLM A 201 0.891 -16.754 -19.160 1.00 30.44 H new HETATM 1757 C1 PLM A 202 1.683 -6.359 -14.279 1.00 15.44 C HETATM 1758 O1 PLM A 202 1.193 -5.434 -15.151 1.00 73.20 O HETATM 1759 O2 PLM A 202 2.607 -7.120 -14.554 1.00 74.42 O HETATM 1760 C2 PLM A 202 0.951 -6.357 -12.911 1.00 5.04 C HETATM 1761 C3 PLM A 202 1.311 -5.054 -12.114 1.00 32.23 C HETATM 1762 C4 PLM A 202 2.825 -4.781 -11.959 1.00 44.01 C HETATM 1763 C5 PLM A 202 3.450 -5.592 -10.809 1.00 2.30 C HETATM 1764 C6 PLM A 202 4.951 -5.857 -11.033 1.00 64.43 C HETATM 1765 C7 PLM A 202 5.202 -6.861 -12.174 1.00 32.51 C HETATM 1766 C8 PLM A 202 6.685 -6.909 -12.591 1.00 51.45 C HETATM 1767 C9 PLM A 202 7.151 -8.340 -12.929 1.00 51.43 C HETATM 1768 CA PLM A 202 8.416 -8.406 -13.809 1.00 44.42 C HETATM 1769 CB PLM A 202 8.018 -8.398 -15.297 1.00 34.24 C HETATM 1770 CC PLM A 202 8.782 -9.705 -15.984 1.00 0.42 C HETATM 1771 CD PLM A 202 8.707 -9.639 -17.522 1.00 12.51 C HETATM 1772 CE PLM A 202 10.079 -9.347 -18.160 1.00 22.43 C HETATM 1773 CF PLM A 202 10.607 -10.544 -18.973 1.00 30.40 C HETATM 1774 CG PLM A 202 11.596 -11.391 -18.164 1.00 53.12 C HETATM 0 HG3 PLM A 202 12.447 -10.776 -17.870 1.00 53.12 H new HETATM 0 HG2 PLM A 202 11.101 -11.776 -17.272 1.00 53.12 H new HETATM 0 HG1 PLM A 202 11.945 -12.225 -18.774 1.00 53.12 H new HETATM 0 HF2 PLM A 202 9.770 -11.166 -19.289 1.00 30.40 H new HETATM 0 HF1 PLM A 202 11.094 -10.182 -19.878 1.00 30.40 H new HETATM 0 HE2 PLM A 202 9.998 -8.476 -18.810 1.00 22.43 H new HETATM 0 HE1 PLM A 202 10.796 -9.096 -17.378 1.00 22.43 H new HETATM 0 HD2 PLM A 202 8.323 -10.584 -17.906 1.00 12.51 H new HETATM 0 HD1 PLM A 202 7.999 -8.864 -17.817 1.00 12.51 H new HETATM 0 HC2 PLM A 202 9.825 -9.730 -15.667 1.00 0.42 H new HETATM 0 HC1 PLM A 202 8.320 -10.628 -15.632 1.00 0.42 H new HETATM 0 HB2 PLM A 202 6.937 -8.474 -15.412 1.00 34.24 H new HETATM 0 HB1 PLM A 202 8.325 -7.469 -15.778 1.00 34.24 H new HETATM 0 HA2 PLM A 202 9.065 -7.558 -13.592 1.00 44.42 H new HETATM 0 HA1 PLM A 202 8.983 -9.308 -13.580 1.00 44.42 H new HETATM 0 H92 PLM A 202 7.341 -8.876 -11.999 1.00 51.43 H new HETATM 0 H91 PLM A 202 6.341 -8.862 -13.438 1.00 51.43 H new HETATM 0 H82 PLM A 202 6.838 -6.265 -13.457 1.00 51.45 H new HETATM 0 H81 PLM A 202 7.300 -6.510 -11.785 1.00 51.45 H new HETATM 0 H72 PLM A 202 4.883 -7.854 -11.859 1.00 32.51 H new HETATM 0 H71 PLM A 202 4.593 -6.589 -13.036 1.00 32.51 H new HETATM 0 H62 PLM A 202 5.454 -4.917 -11.261 1.00 64.43 H new HETATM 0 H61 PLM A 202 5.392 -6.239 -10.112 1.00 64.43 H new HETATM 0 H52 PLM A 202 3.314 -5.054 -9.871 1.00 2.30 H new HETATM 0 H51 PLM A 202 2.926 -6.542 -10.710 1.00 2.30 H new HETATM 0 H42 PLM A 202 3.333 -5.026 -12.892 1.00 44.01 H new HETATM 0 H41 PLM A 202 2.984 -3.718 -11.779 1.00 44.01 H new HETATM 0 H32 PLM A 202 0.853 -4.201 -12.615 1.00 32.23 H new HETATM 0 H31 PLM A 202 0.865 -5.118 -11.121 1.00 32.23 H new HETATM 0 H22 PLM A 202 -0.127 -6.413 -13.065 1.00 5.04 H new HETATM 0 H21 PLM A 202 1.237 -7.237 -12.335 1.00 5.04 H new HETATM 0 H PLM A 202 0.461 -4.939 -14.726 1.00 73.20 H new