USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 LYS NZ :NH3+ 176:sc= 0.141 (180deg=0) USER MOD Set 1.2: A 85 SER OG : rot 19:sc= 0.153 USER MOD Set 1.3: B 96 SER OG : rot 180:sc= -1.28 USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.221 X(o=-2.5,f=-2.3) USER MOD Set 2.2: A 24 GLN : amide:sc= -2.29 K(o=-2.5,f=-7.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -2.71 K(o=-2.7,f=-4.6!) USER MOD Single : A 9 HIS : no HD1:sc= -0.731 X(o=-0.73,f=-0.87) USER MOD Single : A 11 THR OG1 : rot -46:sc= 0.356 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HE2:sc= -0.419 F(o=-1.6,f=-0.42) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 140:sc= -1.03 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -114:sc= -0.768 (180deg=-3.95!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 150:sc= -0.911 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0301) USER MOD Single : A 54 MET CE :methyl -154:sc= -1.45 (180deg=-4.35!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 60 SER OG : rot 33:sc= 0.857 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -138:sc= -1.11 (180deg=-2.57) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= -0.0061 (180deg=-0.121) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 THR OG1 : rot 180:sc= 0 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 SER OG : rot -138:sc= 0.964 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 106 SER OG : rot -35:sc= 0.61 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.492 -29.856 -11.097 1.00 0.00 N ATOM 2 CA GLY A 1 -24.189 -28.661 -11.932 1.00 0.00 C ATOM 3 C GLY A 1 -22.745 -28.218 -11.809 1.00 0.00 C ATOM 4 O GLY A 1 -21.828 -28.966 -12.150 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.491 -30.119 -11.216 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.888 -30.649 -11.393 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.309 -29.636 -10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.409 -28.886 -12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.844 -27.841 -11.638 1.00 0.00 H new ATOM 10 N VAL A 2 -22.540 -26.998 -11.321 1.00 0.00 N ATOM 11 CA VAL A 2 -21.196 -26.456 -11.153 1.00 0.00 C ATOM 12 C VAL A 2 -20.936 -26.089 -9.696 1.00 0.00 C ATOM 13 O VAL A 2 -21.848 -26.099 -8.871 1.00 0.00 O ATOM 14 CB VAL A 2 -20.968 -25.208 -12.032 1.00 0.00 C ATOM 15 CG1 VAL A 2 -19.496 -25.071 -12.393 1.00 0.00 C ATOM 16 CG2 VAL A 2 -21.825 -25.261 -13.290 1.00 0.00 C ATOM 0 H VAL A 2 -23.288 -26.366 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 2 -20.502 -27.236 -11.465 1.00 0.00 H new ATOM 0 HB VAL A 2 -21.267 -24.331 -11.458 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.354 -24.186 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.905 -24.974 -11.482 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.173 -25.955 -12.943 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.645 -24.370 -13.891 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.567 -26.148 -13.869 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -22.878 -25.304 -13.011 1.00 0.00 H new ATOM 26 N ARG A 3 -19.684 -25.765 -9.386 1.00 0.00 N ATOM 27 CA ARG A 3 -19.306 -25.395 -8.027 1.00 0.00 C ATOM 28 C ARG A 3 -18.339 -24.216 -8.033 1.00 0.00 C ATOM 29 O ARG A 3 -17.414 -24.160 -7.222 1.00 0.00 O ATOM 30 CB ARG A 3 -18.668 -26.589 -7.309 1.00 0.00 C ATOM 31 CG ARG A 3 -19.492 -27.106 -6.140 1.00 0.00 C ATOM 32 CD ARG A 3 -19.176 -26.350 -4.859 1.00 0.00 C ATOM 33 NE ARG A 3 -20.033 -26.768 -3.752 1.00 0.00 N ATOM 34 CZ ARG A 3 -20.017 -26.199 -2.548 1.00 0.00 C ATOM 35 NH1 ARG A 3 -19.192 -25.192 -2.292 1.00 0.00 N ATOM 36 NH2 ARG A 3 -20.829 -26.640 -1.597 1.00 0.00 N ATOM 0 H ARG A 3 -18.916 -25.751 -10.057 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.209 -25.099 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.521 -27.397 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.681 -26.300 -6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -20.553 -27.008 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.294 -28.168 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.132 -26.512 -4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.299 -25.280 -5.029 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.681 -27.540 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.565 -24.849 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.185 -24.761 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.465 -27.414 -1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.818 -26.205 -0.674 1.00 0.00 H new ATOM 50 N LYS A 4 -18.551 -23.272 -8.948 1.00 0.00 N ATOM 51 CA LYS A 4 -17.692 -22.105 -9.043 1.00 0.00 C ATOM 52 C LYS A 4 -16.248 -22.490 -9.365 1.00 0.00 C ATOM 53 O LYS A 4 -15.370 -21.628 -9.327 1.00 0.00 O ATOM 54 CB LYS A 4 -17.713 -21.327 -7.721 1.00 0.00 C ATOM 55 CG LYS A 4 -18.890 -20.378 -7.568 1.00 0.00 C ATOM 56 CD LYS A 4 -18.495 -19.137 -6.780 1.00 0.00 C ATOM 57 CE LYS A 4 -18.725 -19.312 -5.288 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.078 -18.847 -4.875 1.00 0.00 N ATOM 0 H LYS A 4 -19.309 -23.297 -9.630 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.076 -21.485 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.726 -22.038 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.788 -20.756 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.256 -20.086 -8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.709 -20.889 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.444 -18.912 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.070 -18.283 -7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.606 -20.363 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.966 -18.757 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.194 -18.984 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.183 -17.838 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.803 -19.394 -5.382 1.00 0.00 H new ATOM 72 N GLY A 5 -15.981 -23.778 -9.655 1.00 0.00 N ATOM 73 CA GLY A 5 -14.605 -24.196 -9.934 1.00 0.00 C ATOM 74 C GLY A 5 -13.642 -23.356 -9.127 1.00 0.00 C ATOM 75 O GLY A 5 -12.672 -22.806 -9.647 1.00 0.00 O ATOM 0 H GLY A 5 -16.678 -24.521 -9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.478 -25.250 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.391 -24.090 -10.998 1.00 0.00 H new ATOM 79 N TRP A 6 -13.995 -23.195 -7.859 1.00 0.00 N ATOM 80 CA TRP A 6 -13.261 -22.342 -6.943 1.00 0.00 C ATOM 81 C TRP A 6 -12.014 -22.975 -6.338 1.00 0.00 C ATOM 82 O TRP A 6 -10.903 -22.492 -6.543 1.00 0.00 O ATOM 83 CB TRP A 6 -14.212 -21.946 -5.818 1.00 0.00 C ATOM 84 CG TRP A 6 -14.329 -20.478 -5.652 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.466 -19.731 -5.656 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.251 -19.582 -5.464 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.149 -18.408 -5.480 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.787 -18.294 -5.360 1.00 0.00 C ATOM 89 CE3 TRP A 6 -11.878 -19.758 -5.374 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -12.985 -17.177 -5.169 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.077 -18.663 -5.185 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.630 -17.379 -5.082 1.00 0.00 C ATOM 0 H TRP A 6 -14.802 -23.655 -7.438 1.00 0.00 H new ATOM 0 HA TRP A 6 -12.904 -21.489 -7.520 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.199 -22.364 -6.019 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -13.864 -22.386 -4.883 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.466 -20.120 -5.779 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.816 -17.637 -5.444 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.446 -20.745 -5.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.411 -16.187 -5.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.007 -18.790 -5.115 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -10.977 -16.532 -4.931 1.00 0.00 H new ATOM 103 N HIS A 7 -12.203 -24.021 -5.558 1.00 0.00 N ATOM 104 CA HIS A 7 -11.087 -24.669 -4.879 1.00 0.00 C ATOM 105 C HIS A 7 -10.247 -25.524 -5.819 1.00 0.00 C ATOM 106 O HIS A 7 -9.152 -25.958 -5.462 1.00 0.00 O ATOM 107 CB HIS A 7 -11.617 -25.541 -3.749 1.00 0.00 C ATOM 108 CG HIS A 7 -10.568 -25.981 -2.777 1.00 0.00 C ATOM 109 ND1 HIS A 7 -9.686 -27.009 -3.035 1.00 0.00 N ATOM 110 CD2 HIS A 7 -10.264 -25.529 -1.536 1.00 0.00 C ATOM 111 CE1 HIS A 7 -8.886 -27.172 -1.995 1.00 0.00 C ATOM 112 NE2 HIS A 7 -9.217 -26.286 -1.073 1.00 0.00 N ATOM 0 H HIS A 7 -13.114 -24.443 -5.376 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.444 -23.880 -4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.389 -24.991 -3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.094 -26.423 -4.177 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -9.655 -27.558 -3.894 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.754 -24.723 -1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.097 -27.905 -1.913 1.00 0.00 H new ATOM 121 N GLU A 8 -10.771 -25.785 -7.005 1.00 0.00 N ATOM 122 CA GLU A 8 -10.077 -26.618 -7.984 1.00 0.00 C ATOM 123 C GLU A 8 -8.597 -26.258 -8.097 1.00 0.00 C ATOM 124 O GLU A 8 -7.734 -27.129 -7.995 1.00 0.00 O ATOM 125 CB GLU A 8 -10.733 -26.488 -9.361 1.00 0.00 C ATOM 126 CG GLU A 8 -11.159 -25.071 -9.714 1.00 0.00 C ATOM 127 CD GLU A 8 -10.292 -24.453 -10.794 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.496 -24.784 -11.981 1.00 0.00 O ATOM 129 OE2 GLU A 8 -9.409 -23.638 -10.453 1.00 0.00 O ATOM 0 H GLU A 8 -11.676 -25.433 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.153 -27.647 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.036 -26.846 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.607 -27.139 -9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.197 -25.080 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.117 -24.449 -8.820 1.00 0.00 H new ATOM 136 N HIS A 9 -8.300 -24.982 -8.319 1.00 0.00 N ATOM 137 CA HIS A 9 -6.909 -24.551 -8.452 1.00 0.00 C ATOM 138 C HIS A 9 -6.561 -23.391 -7.521 1.00 0.00 C ATOM 139 O HIS A 9 -5.789 -22.505 -7.885 1.00 0.00 O ATOM 140 CB HIS A 9 -6.613 -24.167 -9.904 1.00 0.00 C ATOM 141 CG HIS A 9 -5.171 -23.864 -10.163 1.00 0.00 C ATOM 142 ND1 HIS A 9 -4.137 -24.504 -9.513 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.590 -22.981 -11.011 1.00 0.00 C ATOM 144 CE1 HIS A 9 -2.983 -24.029 -9.948 1.00 0.00 C ATOM 145 NE2 HIS A 9 -3.230 -23.104 -10.858 1.00 0.00 N ATOM 0 H HIS A 9 -8.990 -24.237 -8.410 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.284 -25.395 -8.159 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.927 -24.981 -10.557 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.212 -23.296 -10.170 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.101 -22.306 -11.682 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.005 -24.344 -9.616 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.526 -22.568 -11.365 1.00 0.00 H new ATOM 154 N VAL A 10 -7.096 -23.424 -6.308 1.00 0.00 N ATOM 155 CA VAL A 10 -6.798 -22.398 -5.316 1.00 0.00 C ATOM 156 C VAL A 10 -6.189 -23.051 -4.090 1.00 0.00 C ATOM 157 O VAL A 10 -5.072 -22.732 -3.688 1.00 0.00 O ATOM 158 CB VAL A 10 -8.044 -21.585 -4.911 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.670 -20.484 -3.932 1.00 0.00 C ATOM 160 CG2 VAL A 10 -8.711 -21.007 -6.144 1.00 0.00 C ATOM 0 H VAL A 10 -7.738 -24.149 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.094 -21.698 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.751 -22.250 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.563 -19.922 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.231 -20.926 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.947 -19.814 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.590 -20.435 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.011 -20.353 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.013 -21.817 -6.808 1.00 0.00 H new ATOM 170 N THR A 11 -6.924 -24.000 -3.523 1.00 0.00 N ATOM 171 CA THR A 11 -6.461 -24.748 -2.359 1.00 0.00 C ATOM 172 C THR A 11 -5.828 -23.835 -1.308 1.00 0.00 C ATOM 173 O THR A 11 -5.854 -22.611 -1.431 1.00 0.00 O ATOM 174 CB THR A 11 -5.460 -25.826 -2.802 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.130 -25.340 -2.741 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.698 -26.336 -4.215 1.00 0.00 C ATOM 0 H THR A 11 -7.850 -24.272 -3.853 1.00 0.00 H new ATOM 0 HA THR A 11 -7.328 -25.221 -1.897 1.00 0.00 H new ATOM 0 HB THR A 11 -5.612 -26.651 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.089 -24.448 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.954 -27.094 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.695 -26.772 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.616 -25.508 -4.919 1.00 0.00 H new ATOM 184 N GLN A 12 -5.267 -24.445 -0.271 1.00 0.00 N ATOM 185 CA GLN A 12 -4.628 -23.698 0.807 1.00 0.00 C ATOM 186 C GLN A 12 -3.269 -23.147 0.378 1.00 0.00 C ATOM 187 O GLN A 12 -2.960 -21.978 0.613 1.00 0.00 O ATOM 188 CB GLN A 12 -4.464 -24.587 2.041 1.00 0.00 C ATOM 189 CG GLN A 12 -3.572 -25.795 1.809 1.00 0.00 C ATOM 190 CD GLN A 12 -3.643 -26.799 2.943 1.00 0.00 C ATOM 191 OE1 GLN A 12 -3.076 -26.584 4.013 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.346 -27.902 2.713 1.00 0.00 N ATOM 0 H GLN A 12 -5.241 -25.458 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.272 -22.854 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.050 -23.991 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.447 -24.929 2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.862 -26.283 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.541 -25.463 1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.800 -28.038 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.432 -28.613 3.440 1.00 0.00 H new ATOM 201 N ASP A 13 -2.454 -24.003 -0.233 1.00 0.00 N ATOM 202 CA ASP A 13 -1.118 -23.612 -0.675 1.00 0.00 C ATOM 203 C ASP A 13 -1.161 -22.449 -1.663 1.00 0.00 C ATOM 204 O ASP A 13 -0.534 -21.414 -1.441 1.00 0.00 O ATOM 205 CB ASP A 13 -0.405 -24.806 -1.312 1.00 0.00 C ATOM 206 CG ASP A 13 -0.452 -26.042 -0.436 1.00 0.00 C ATOM 207 OD1 ASP A 13 -1.424 -26.818 -0.555 1.00 0.00 O ATOM 208 OD2 ASP A 13 0.482 -26.235 0.370 1.00 0.00 O ATOM 0 H ASP A 13 -2.696 -24.973 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.567 -23.281 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.865 -25.029 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.634 -24.543 -1.508 1.00 0.00 H new ATOM 213 N LEU A 14 -1.896 -22.625 -2.757 1.00 0.00 N ATOM 214 CA LEU A 14 -2.003 -21.583 -3.773 1.00 0.00 C ATOM 215 C LEU A 14 -2.646 -20.325 -3.199 1.00 0.00 C ATOM 216 O LEU A 14 -2.360 -19.213 -3.643 1.00 0.00 O ATOM 217 CB LEU A 14 -2.807 -22.088 -4.975 1.00 0.00 C ATOM 218 CG LEU A 14 -2.114 -21.933 -6.329 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.165 -23.095 -6.580 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.144 -21.833 -7.444 1.00 0.00 C ATOM 0 H LEU A 14 -2.423 -23.474 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.996 -21.331 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.038 -23.142 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.757 -21.555 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.531 -21.012 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.681 -22.967 -7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.408 -23.122 -5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.725 -24.030 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.634 -21.723 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.753 -22.737 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.784 -20.967 -7.272 1.00 0.00 H new ATOM 232 N ARG A 15 -3.514 -20.505 -2.209 1.00 0.00 N ATOM 233 CA ARG A 15 -4.192 -19.379 -1.575 1.00 0.00 C ATOM 234 C ARG A 15 -3.210 -18.552 -0.753 1.00 0.00 C ATOM 235 O ARG A 15 -3.106 -17.338 -0.931 1.00 0.00 O ATOM 236 CB ARG A 15 -5.332 -19.878 -0.685 1.00 0.00 C ATOM 237 CG ARG A 15 -6.062 -18.766 0.052 1.00 0.00 C ATOM 238 CD ARG A 15 -7.216 -19.310 0.878 1.00 0.00 C ATOM 239 NE ARG A 15 -8.277 -18.320 1.055 1.00 0.00 N ATOM 240 CZ ARG A 15 -9.340 -18.506 1.834 1.00 0.00 C ATOM 241 NH1 ARG A 15 -9.488 -19.638 2.510 1.00 0.00 N ATOM 242 NH2 ARG A 15 -10.259 -17.555 1.938 1.00 0.00 N ATOM 0 H ARG A 15 -3.765 -21.418 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.607 -18.745 -2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.047 -20.426 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.931 -20.583 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.364 -18.240 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.439 -18.038 -0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.624 -20.196 0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.847 -19.624 1.854 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.198 -17.436 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.785 -20.373 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.305 -19.774 3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.151 -16.682 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.074 -17.696 2.535 1.00 0.00 H new ATOM 256 N SER A 16 -2.490 -19.217 0.146 1.00 0.00 N ATOM 257 CA SER A 16 -1.513 -18.544 0.995 1.00 0.00 C ATOM 258 C SER A 16 -0.482 -17.800 0.153 1.00 0.00 C ATOM 259 O SER A 16 -0.047 -16.706 0.509 1.00 0.00 O ATOM 260 CB SER A 16 -0.812 -19.558 1.903 1.00 0.00 C ATOM 261 OG SER A 16 -1.494 -19.694 3.137 1.00 0.00 O ATOM 0 H SER A 16 -2.565 -20.222 0.305 1.00 0.00 H new ATOM 0 HA SER A 16 -2.043 -17.819 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.762 -20.525 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.215 -19.240 2.084 1.00 0.00 H new ATOM 0 HG SER A 16 -1.028 -20.348 3.698 1.00 0.00 H new ATOM 267 N HIS A 17 -0.099 -18.402 -0.968 1.00 0.00 N ATOM 268 CA HIS A 17 0.877 -17.795 -1.865 1.00 0.00 C ATOM 269 C HIS A 17 0.356 -16.472 -2.416 1.00 0.00 C ATOM 270 O HIS A 17 1.131 -15.564 -2.716 1.00 0.00 O ATOM 271 CB HIS A 17 1.206 -18.748 -3.016 1.00 0.00 C ATOM 272 CG HIS A 17 2.244 -18.218 -3.955 1.00 0.00 C ATOM 273 ND1 HIS A 17 2.234 -17.134 -4.768 1.00 0.00 N flip ATOM 274 CD2 HIS A 17 3.472 -18.819 -4.138 1.00 0.00 C flip ATOM 275 CE1 HIS A 17 3.441 -17.103 -5.420 1.00 0.00 C flip ATOM 276 NE2 HIS A 17 4.170 -18.129 -5.022 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.449 -19.309 -1.277 1.00 0.00 H new ATOM 0 HA HIS A 17 1.786 -17.599 -1.296 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.551 -19.696 -2.604 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.294 -18.957 -3.576 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.471 -16.465 -4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.810 -19.714 -3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.745 -16.360 -6.142 1.00 0.00 H new ATOM 285 N LEU A 18 -0.963 -16.371 -2.547 1.00 0.00 N ATOM 286 CA LEU A 18 -1.590 -15.160 -3.062 1.00 0.00 C ATOM 287 C LEU A 18 -1.714 -14.104 -1.968 1.00 0.00 C ATOM 288 O LEU A 18 -1.680 -12.904 -2.243 1.00 0.00 O ATOM 289 CB LEU A 18 -2.971 -15.481 -3.638 1.00 0.00 C ATOM 290 CG LEU A 18 -2.981 -15.849 -5.122 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.280 -16.553 -5.487 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.785 -14.609 -5.980 1.00 0.00 C ATOM 0 H LEU A 18 -1.618 -17.114 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.957 -14.762 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.402 -16.306 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.620 -14.618 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.154 -16.533 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.270 -16.808 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.379 -17.463 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.122 -15.893 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.795 -14.890 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.591 -13.901 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.829 -14.146 -5.737 1.00 0.00 H new ATOM 304 N VAL A 19 -1.853 -14.557 -0.724 1.00 0.00 N ATOM 305 CA VAL A 19 -1.978 -13.649 0.411 1.00 0.00 C ATOM 306 C VAL A 19 -0.795 -12.688 0.475 1.00 0.00 C ATOM 307 O VAL A 19 -0.962 -11.500 0.752 1.00 0.00 O ATOM 308 CB VAL A 19 -2.077 -14.424 1.741 1.00 0.00 C ATOM 309 CG1 VAL A 19 -2.254 -13.468 2.911 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.218 -15.428 1.689 1.00 0.00 C ATOM 0 H VAL A 19 -1.882 -15.546 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.896 -13.079 0.266 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.145 -14.970 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.322 -14.037 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.400 -12.792 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.167 -12.889 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.273 -15.966 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.157 -14.903 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.043 -16.136 0.879 1.00 0.00 H new ATOM 320 N HIS A 20 0.400 -13.208 0.212 1.00 0.00 N ATOM 321 CA HIS A 20 1.609 -12.392 0.235 1.00 0.00 C ATOM 322 C HIS A 20 1.519 -11.269 -0.794 1.00 0.00 C ATOM 323 O HIS A 20 1.780 -10.108 -0.482 1.00 0.00 O ATOM 324 CB HIS A 20 2.840 -13.257 -0.042 1.00 0.00 C ATOM 325 CG HIS A 20 4.102 -12.705 0.546 1.00 0.00 C ATOM 326 ND1 HIS A 20 5.354 -12.986 0.038 1.00 0.00 N ATOM 327 CD2 HIS A 20 4.302 -11.884 1.604 1.00 0.00 C ATOM 328 CE1 HIS A 20 6.268 -12.362 0.760 1.00 0.00 C ATOM 329 NE2 HIS A 20 5.656 -11.687 1.715 1.00 0.00 N ATOM 0 H HIS A 20 0.557 -14.189 -0.019 1.00 0.00 H new ATOM 0 HA HIS A 20 1.704 -11.949 1.227 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.669 -14.257 0.357 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.966 -13.362 -1.120 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.539 -11.463 2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.335 -12.398 0.596 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.115 -11.112 2.421 1.00 0.00 H new ATOM 338 N LYS A 21 1.140 -11.624 -2.018 1.00 0.00 N ATOM 339 CA LYS A 21 1.008 -10.644 -3.088 1.00 0.00 C ATOM 340 C LYS A 21 -0.013 -9.576 -2.711 1.00 0.00 C ATOM 341 O LYS A 21 0.121 -8.412 -3.088 1.00 0.00 O ATOM 342 CB LYS A 21 0.590 -11.329 -4.390 1.00 0.00 C ATOM 343 CG LYS A 21 1.079 -10.613 -5.639 1.00 0.00 C ATOM 344 CD LYS A 21 0.890 -11.468 -6.882 1.00 0.00 C ATOM 345 CE LYS A 21 -0.581 -11.645 -7.219 1.00 0.00 C ATOM 346 NZ LYS A 21 -1.107 -10.509 -8.025 1.00 0.00 N ATOM 0 H LYS A 21 0.920 -12.581 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 21 1.977 -10.167 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.973 -12.350 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.497 -11.397 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.538 -9.674 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.134 -10.362 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.404 -11.005 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.349 -12.445 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.718 -12.575 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.156 -11.733 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.113 -10.668 -8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.000 -9.624 -7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.575 -10.440 -8.916 1.00 0.00 H new ATOM 360 N LEU A 22 -1.029 -9.982 -1.957 1.00 0.00 N ATOM 361 CA LEU A 22 -2.073 -9.064 -1.517 1.00 0.00 C ATOM 362 C LEU A 22 -1.511 -8.058 -0.521 1.00 0.00 C ATOM 363 O LEU A 22 -1.925 -6.899 -0.490 1.00 0.00 O ATOM 364 CB LEU A 22 -3.227 -9.842 -0.881 1.00 0.00 C ATOM 365 CG LEU A 22 -4.395 -8.985 -0.391 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.275 -8.565 -1.559 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.209 -9.739 0.650 1.00 0.00 C ATOM 0 H LEU A 22 -1.152 -10.943 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.448 -8.523 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.604 -10.561 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.838 -10.414 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.992 -8.086 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.101 -7.956 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.685 -7.986 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.670 -9.452 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.036 -9.114 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.603 -10.655 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.572 -9.988 1.499 1.00 0.00 H new ATOM 379 N VAL A 23 -0.559 -8.511 0.290 1.00 0.00 N ATOM 380 CA VAL A 23 0.070 -7.655 1.288 1.00 0.00 C ATOM 381 C VAL A 23 1.092 -6.725 0.642 1.00 0.00 C ATOM 382 O VAL A 23 1.340 -5.624 1.131 1.00 0.00 O ATOM 383 CB VAL A 23 0.763 -8.489 2.383 1.00 0.00 C ATOM 384 CG1 VAL A 23 1.333 -7.587 3.468 1.00 0.00 C ATOM 385 CG2 VAL A 23 -0.208 -9.500 2.976 1.00 0.00 C ATOM 0 H VAL A 23 -0.207 -9.468 0.274 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.720 -7.059 1.745 1.00 0.00 H new ATOM 0 HB VAL A 23 1.590 -9.034 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.818 -8.197 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.063 -6.907 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.527 -7.010 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.297 -10.081 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.057 -8.975 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.561 -10.169 2.191 1.00 0.00 H new ATOM 395 N GLN A 24 1.683 -7.178 -0.460 1.00 0.00 N ATOM 396 CA GLN A 24 2.678 -6.388 -1.176 1.00 0.00 C ATOM 397 C GLN A 24 2.079 -5.076 -1.674 1.00 0.00 C ATOM 398 O GLN A 24 2.794 -4.092 -1.871 1.00 0.00 O ATOM 399 CB GLN A 24 3.243 -7.186 -2.352 1.00 0.00 C ATOM 400 CG GLN A 24 4.546 -7.902 -2.032 1.00 0.00 C ATOM 401 CD GLN A 24 4.349 -9.382 -1.776 1.00 0.00 C ATOM 402 OE1 GLN A 24 4.252 -9.819 -0.629 1.00 0.00 O ATOM 403 NE2 GLN A 24 4.290 -10.166 -2.847 1.00 0.00 N ATOM 0 H GLN A 24 1.489 -8.089 -0.876 1.00 0.00 H new ATOM 0 HA GLN A 24 3.487 -6.155 -0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.503 -7.920 -2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.406 -6.512 -3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.242 -7.770 -2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.003 -7.443 -1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.375 -9.762 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.160 -11.172 -2.736 1.00 0.00 H new ATOM 412 N ALA A 25 0.765 -5.065 -1.877 1.00 0.00 N ATOM 413 CA ALA A 25 0.072 -3.871 -2.354 1.00 0.00 C ATOM 414 C ALA A 25 0.401 -2.660 -1.486 1.00 0.00 C ATOM 415 O ALA A 25 0.685 -1.577 -1.997 1.00 0.00 O ATOM 416 CB ALA A 25 -1.430 -4.109 -2.383 1.00 0.00 C ATOM 0 H ALA A 25 0.158 -5.869 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 25 0.416 -3.663 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.934 -3.211 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.654 -4.941 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.780 -4.346 -1.378 1.00 0.00 H new ATOM 422 N ILE A 26 0.364 -2.853 -0.172 1.00 0.00 N ATOM 423 CA ILE A 26 0.661 -1.778 0.766 1.00 0.00 C ATOM 424 C ILE A 26 2.157 -1.706 1.056 1.00 0.00 C ATOM 425 O ILE A 26 2.700 -0.632 1.308 1.00 0.00 O ATOM 426 CB ILE A 26 -0.102 -1.962 2.093 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.590 -2.195 1.823 1.00 0.00 C ATOM 428 CG2 ILE A 26 0.095 -0.750 2.991 1.00 0.00 C ATOM 429 CD1 ILE A 26 -1.958 -3.656 1.685 1.00 0.00 C ATOM 0 H ILE A 26 0.131 -3.744 0.267 1.00 0.00 H new ATOM 0 HA ILE A 26 0.337 -0.848 0.298 1.00 0.00 H new ATOM 0 HB ILE A 26 0.297 -2.838 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.171 -1.758 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.872 -1.670 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.450 -0.896 3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.156 -0.625 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.280 0.141 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.028 -3.745 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.404 -4.094 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.708 -4.183 2.606 1.00 0.00 H new ATOM 441 N PHE A 27 2.817 -2.860 1.014 1.00 0.00 N ATOM 442 CA PHE A 27 4.251 -2.931 1.268 1.00 0.00 C ATOM 443 C PHE A 27 4.942 -3.813 0.229 1.00 0.00 C ATOM 444 O PHE A 27 5.296 -4.959 0.509 1.00 0.00 O ATOM 445 CB PHE A 27 4.514 -3.472 2.675 1.00 0.00 C ATOM 446 CG PHE A 27 5.689 -2.830 3.354 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.883 -2.648 2.676 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.598 -2.406 4.670 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.966 -2.057 3.298 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.678 -1.813 5.297 1.00 0.00 C ATOM 451 CZ PHE A 27 7.863 -1.639 4.610 1.00 0.00 C ATOM 0 H PHE A 27 2.381 -3.758 0.806 1.00 0.00 H new ATOM 0 HA PHE A 27 4.661 -1.924 1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.624 -3.321 3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.681 -4.547 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.968 -2.972 1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.673 -2.540 5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.892 -1.922 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.595 -1.486 6.323 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.708 -1.177 5.098 1.00 0.00 H new ATOM 461 N PRO A 28 5.136 -3.288 -0.994 1.00 0.00 N ATOM 462 CA PRO A 28 5.782 -4.031 -2.081 1.00 0.00 C ATOM 463 C PRO A 28 7.159 -4.560 -1.692 1.00 0.00 C ATOM 464 O PRO A 28 7.382 -5.771 -1.656 1.00 0.00 O ATOM 465 CB PRO A 28 5.906 -2.996 -3.203 1.00 0.00 C ATOM 466 CG PRO A 28 4.850 -1.987 -2.910 1.00 0.00 C ATOM 467 CD PRO A 28 4.738 -1.931 -1.412 1.00 0.00 C ATOM 0 HA PRO A 28 5.208 -4.915 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.896 -2.540 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.756 -3.453 -4.181 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.117 -1.012 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.900 -2.273 -3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.393 -1.170 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.724 -1.692 -1.093 1.00 0.00 H new ATOM 475 N THR A 29 8.082 -3.647 -1.405 1.00 0.00 N ATOM 476 CA THR A 29 9.439 -4.026 -1.026 1.00 0.00 C ATOM 477 C THR A 29 9.459 -4.682 0.354 1.00 0.00 C ATOM 478 O THR A 29 8.595 -4.418 1.188 1.00 0.00 O ATOM 479 CB THR A 29 10.358 -2.803 -1.033 1.00 0.00 C ATOM 480 OG1 THR A 29 10.162 -2.023 0.133 1.00 0.00 O ATOM 481 CG2 THR A 29 10.148 -1.901 -2.231 1.00 0.00 C ATOM 0 H THR A 29 7.915 -2.641 -1.428 1.00 0.00 H new ATOM 0 HA THR A 29 9.801 -4.748 -1.758 1.00 0.00 H new ATOM 0 HB THR A 29 11.371 -3.203 -1.075 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.028 -1.700 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.831 -1.054 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.341 -2.461 -3.146 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.120 -1.538 -2.238 1.00 0.00 H new ATOM 489 N PRO A 30 10.454 -5.551 0.612 1.00 0.00 N ATOM 490 CA PRO A 30 10.584 -6.246 1.896 1.00 0.00 C ATOM 491 C PRO A 30 10.882 -5.287 3.045 1.00 0.00 C ATOM 492 O PRO A 30 11.332 -4.162 2.826 1.00 0.00 O ATOM 493 CB PRO A 30 11.768 -7.202 1.683 1.00 0.00 C ATOM 494 CG PRO A 30 11.975 -7.256 0.207 1.00 0.00 C ATOM 495 CD PRO A 30 11.525 -5.926 -0.322 1.00 0.00 C ATOM 0 HA PRO A 30 9.659 -6.753 2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.661 -6.840 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.551 -8.191 2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.022 -7.438 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.400 -8.068 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.335 -5.196 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.161 -6.000 -1.347 1.00 0.00 H new ATOM 503 N ASP A 31 10.631 -5.740 4.268 1.00 0.00 N ATOM 504 CA ASP A 31 10.875 -4.925 5.452 1.00 0.00 C ATOM 505 C ASP A 31 10.897 -5.790 6.710 1.00 0.00 C ATOM 506 O ASP A 31 9.868 -5.978 7.358 1.00 0.00 O ATOM 507 CB ASP A 31 9.802 -3.843 5.580 1.00 0.00 C ATOM 508 CG ASP A 31 10.289 -2.639 6.363 1.00 0.00 C ATOM 509 OD1 ASP A 31 10.162 -2.647 7.605 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.798 -1.688 5.733 1.00 0.00 O ATOM 0 H ASP A 31 10.258 -6.669 4.466 1.00 0.00 H new ATOM 0 HA ASP A 31 11.849 -4.449 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.490 -3.525 4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.924 -4.262 6.071 1.00 0.00 H new ATOM 515 N PRO A 32 12.074 -6.328 7.074 1.00 0.00 N ATOM 516 CA PRO A 32 12.218 -7.173 8.264 1.00 0.00 C ATOM 517 C PRO A 32 11.863 -6.428 9.545 1.00 0.00 C ATOM 518 O PRO A 32 11.467 -7.035 10.540 1.00 0.00 O ATOM 519 CB PRO A 32 13.702 -7.563 8.261 1.00 0.00 C ATOM 520 CG PRO A 32 14.369 -6.549 7.395 1.00 0.00 C ATOM 521 CD PRO A 32 13.352 -6.154 6.364 1.00 0.00 C ATOM 0 HA PRO A 32 11.546 -8.030 8.235 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.114 -7.552 9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.844 -8.570 7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.688 -5.686 7.979 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.261 -6.963 6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.492 -5.125 6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.410 -6.785 5.477 1.00 0.00 H new ATOM 529 N ALA A 33 12.005 -5.107 9.513 1.00 0.00 N ATOM 530 CA ALA A 33 11.697 -4.277 10.670 1.00 0.00 C ATOM 531 C ALA A 33 10.194 -4.043 10.791 1.00 0.00 C ATOM 532 O ALA A 33 9.685 -3.773 11.878 1.00 0.00 O ATOM 533 CB ALA A 33 12.433 -2.949 10.577 1.00 0.00 C ATOM 0 H ALA A 33 12.332 -4.589 8.697 1.00 0.00 H new ATOM 0 HA ALA A 33 12.031 -4.803 11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.194 -2.339 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.507 -3.130 10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.126 -2.425 9.672 1.00 0.00 H new ATOM 539 N ALA A 34 9.488 -4.147 9.667 1.00 0.00 N ATOM 540 CA ALA A 34 8.045 -3.945 9.654 1.00 0.00 C ATOM 541 C ALA A 34 7.327 -5.057 10.409 1.00 0.00 C ATOM 542 O ALA A 34 6.331 -4.815 11.091 1.00 0.00 O ATOM 543 CB ALA A 34 7.537 -3.864 8.222 1.00 0.00 C ATOM 0 H ALA A 34 9.892 -4.369 8.757 1.00 0.00 H new ATOM 0 HA ALA A 34 7.831 -3.003 10.159 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.458 -3.713 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.018 -3.029 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.771 -4.792 7.700 1.00 0.00 H new ATOM 549 N LEU A 35 7.840 -6.277 10.286 1.00 0.00 N ATOM 550 CA LEU A 35 7.248 -7.428 10.960 1.00 0.00 C ATOM 551 C LEU A 35 7.167 -7.192 12.465 1.00 0.00 C ATOM 552 O LEU A 35 6.264 -7.693 13.135 1.00 0.00 O ATOM 553 CB LEU A 35 8.062 -8.692 10.672 1.00 0.00 C ATOM 554 CG LEU A 35 8.483 -8.875 9.212 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.104 -10.248 9.006 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.292 -8.684 8.284 1.00 0.00 C ATOM 0 H LEU A 35 8.664 -6.494 9.726 1.00 0.00 H new ATOM 0 HA LEU A 35 6.237 -7.563 10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.958 -8.678 11.293 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.477 -9.560 10.977 1.00 0.00 H new ATOM 0 HG LEU A 35 9.230 -8.118 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.398 -10.362 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.982 -10.349 9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.377 -11.018 9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.611 -8.818 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.522 -9.417 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.889 -7.680 8.412 1.00 0.00 H new ATOM 568 N LYS A 36 8.115 -6.422 12.987 1.00 0.00 N ATOM 569 CA LYS A 36 8.151 -6.113 14.411 1.00 0.00 C ATOM 570 C LYS A 36 7.265 -4.911 14.729 1.00 0.00 C ATOM 571 O LYS A 36 6.795 -4.756 15.856 1.00 0.00 O ATOM 572 CB LYS A 36 9.587 -5.836 14.859 1.00 0.00 C ATOM 573 CG LYS A 36 10.566 -6.933 14.472 1.00 0.00 C ATOM 574 CD LYS A 36 11.744 -6.991 15.432 1.00 0.00 C ATOM 575 CE LYS A 36 12.989 -7.540 14.753 1.00 0.00 C ATOM 576 NZ LYS A 36 13.093 -9.018 14.895 1.00 0.00 N ATOM 0 H LYS A 36 8.869 -6.000 12.445 1.00 0.00 H new ATOM 0 HA LYS A 36 7.770 -6.977 14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.919 -4.893 14.424 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.604 -5.711 15.942 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.053 -7.895 14.465 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.929 -6.758 13.459 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.949 -5.993 15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.488 -7.617 16.287 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.971 -7.277 13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.874 -7.071 15.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.955 -9.353 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.136 -9.268 15.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.261 -9.468 14.462 1.00 0.00 H new ATOM 590 N ASP A 37 7.043 -4.062 13.729 1.00 0.00 N ATOM 591 CA ASP A 37 6.214 -2.875 13.905 1.00 0.00 C ATOM 592 C ASP A 37 4.770 -3.261 14.211 1.00 0.00 C ATOM 593 O ASP A 37 4.196 -4.127 13.552 1.00 0.00 O ATOM 594 CB ASP A 37 6.266 -2.000 12.652 1.00 0.00 C ATOM 595 CG ASP A 37 6.139 -0.523 12.973 1.00 0.00 C ATOM 596 OD1 ASP A 37 4.996 -0.049 13.143 1.00 0.00 O ATOM 597 OD2 ASP A 37 7.183 0.159 13.053 1.00 0.00 O ATOM 0 H ASP A 37 7.425 -4.174 12.790 1.00 0.00 H new ATOM 0 HA ASP A 37 6.607 -2.310 14.750 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.206 -2.176 12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.464 -2.292 11.974 1.00 0.00 H new ATOM 602 N ARG A 38 4.189 -2.610 15.215 1.00 0.00 N ATOM 603 CA ARG A 38 2.812 -2.886 15.608 1.00 0.00 C ATOM 604 C ARG A 38 1.851 -2.614 14.455 1.00 0.00 C ATOM 605 O ARG A 38 0.797 -3.241 14.353 1.00 0.00 O ATOM 606 CB ARG A 38 2.427 -2.034 16.819 1.00 0.00 C ATOM 607 CG ARG A 38 2.921 -2.599 18.141 1.00 0.00 C ATOM 608 CD ARG A 38 2.418 -4.016 18.364 1.00 0.00 C ATOM 609 NE ARG A 38 3.408 -5.016 17.974 1.00 0.00 N ATOM 610 CZ ARG A 38 4.454 -5.357 18.724 1.00 0.00 C ATOM 611 NH1 ARG A 38 4.649 -4.781 19.903 1.00 0.00 N ATOM 612 NH2 ARG A 38 5.306 -6.276 18.293 1.00 0.00 N ATOM 0 H ARG A 38 4.650 -1.889 15.770 1.00 0.00 H new ATOM 0 HA ARG A 38 2.741 -3.940 15.875 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.830 -1.030 16.689 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.342 -1.940 16.856 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.011 -2.592 18.156 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.587 -1.960 18.959 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.163 -4.149 19.415 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.503 -4.170 17.792 1.00 0.00 H new ATOM 0 HE ARG A 38 3.291 -5.481 17.074 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.996 -4.073 20.239 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.452 -5.046 20.474 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.160 -6.722 17.387 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.107 -6.538 18.867 1.00 0.00 H new ATOM 626 N ARG A 39 2.221 -1.674 13.590 1.00 0.00 N ATOM 627 CA ARG A 39 1.390 -1.320 12.444 1.00 0.00 C ATOM 628 C ARG A 39 1.139 -2.535 11.554 1.00 0.00 C ATOM 629 O ARG A 39 0.043 -2.711 11.024 1.00 0.00 O ATOM 630 CB ARG A 39 2.053 -0.207 11.632 1.00 0.00 C ATOM 631 CG ARG A 39 1.236 0.239 10.429 1.00 0.00 C ATOM 632 CD ARG A 39 2.031 0.126 9.137 1.00 0.00 C ATOM 633 NE ARG A 39 2.594 -1.210 8.957 1.00 0.00 N ATOM 634 CZ ARG A 39 2.995 -1.695 7.783 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.899 -0.957 6.684 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.492 -2.922 7.710 1.00 0.00 N ATOM 0 H ARG A 39 3.090 -1.144 13.661 1.00 0.00 H new ATOM 0 HA ARG A 39 0.430 -0.965 12.820 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.226 0.651 12.281 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.029 -0.550 11.290 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.334 -0.369 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.914 1.271 10.570 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.385 0.364 8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.836 0.861 9.141 1.00 0.00 H new ATOM 0 HE ARG A 39 2.685 -1.807 9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.516 -0.013 6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.208 -1.334 5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.567 -3.493 8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.800 -3.295 6.812 1.00 0.00 H new ATOM 650 N MET A 40 2.163 -3.368 11.396 1.00 0.00 N ATOM 651 CA MET A 40 2.053 -4.566 10.570 1.00 0.00 C ATOM 652 C MET A 40 0.931 -5.472 11.069 1.00 0.00 C ATOM 653 O MET A 40 0.308 -6.192 10.289 1.00 0.00 O ATOM 654 CB MET A 40 3.377 -5.331 10.564 1.00 0.00 C ATOM 655 CG MET A 40 3.497 -6.332 9.424 1.00 0.00 C ATOM 656 SD MET A 40 4.746 -5.862 8.211 1.00 0.00 S ATOM 657 CE MET A 40 3.908 -6.277 6.684 1.00 0.00 C ATOM 0 H MET A 40 3.077 -3.236 11.828 1.00 0.00 H new ATOM 0 HA MET A 40 1.817 -4.254 9.553 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.199 -4.618 10.498 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.487 -5.858 11.512 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.744 -7.312 9.832 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.532 -6.427 8.927 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.432 -7.097 6.193 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.884 -6.579 6.902 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.898 -5.408 6.027 1.00 0.00 H new ATOM 667 N GLU A 41 0.674 -5.428 12.373 1.00 0.00 N ATOM 668 CA GLU A 41 -0.376 -6.242 12.972 1.00 0.00 C ATOM 669 C GLU A 41 -1.722 -5.956 12.315 1.00 0.00 C ATOM 670 O GLU A 41 -2.546 -6.854 12.145 1.00 0.00 O ATOM 671 CB GLU A 41 -0.463 -5.976 14.476 1.00 0.00 C ATOM 672 CG GLU A 41 -1.258 -7.026 15.235 1.00 0.00 C ATOM 673 CD GLU A 41 -0.377 -8.116 15.815 1.00 0.00 C ATOM 674 OE1 GLU A 41 0.152 -7.922 16.930 1.00 0.00 O ATOM 675 OE2 GLU A 41 -0.215 -9.163 15.154 1.00 0.00 O ATOM 0 H GLU A 41 1.179 -4.837 13.034 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.126 -7.291 12.811 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.545 -5.929 14.887 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.919 -4.999 14.638 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.813 -6.545 16.041 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.992 -7.475 14.566 1.00 0.00 H new ATOM 682 N ASN A 42 -1.935 -4.698 11.944 1.00 0.00 N ATOM 683 CA ASN A 42 -3.177 -4.291 11.299 1.00 0.00 C ATOM 684 C ASN A 42 -3.162 -4.650 9.816 1.00 0.00 C ATOM 685 O ASN A 42 -4.205 -4.922 9.223 1.00 0.00 O ATOM 686 CB ASN A 42 -3.395 -2.786 11.468 1.00 0.00 C ATOM 687 CG ASN A 42 -4.072 -2.444 12.781 1.00 0.00 C ATOM 688 OD1 ASN A 42 -3.449 -1.897 13.691 1.00 0.00 O ATOM 689 ND2 ASN A 42 -5.357 -2.766 12.886 1.00 0.00 N ATOM 0 H ASN A 42 -1.263 -3.943 12.079 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.998 -4.826 11.777 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.434 -2.274 11.414 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.001 -2.414 10.642 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.866 -2.561 13.746 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.835 -3.219 12.107 1.00 0.00 H new ATOM 696 N LEU A 43 -1.970 -4.651 9.225 1.00 0.00 N ATOM 697 CA LEU A 43 -1.819 -4.978 7.812 1.00 0.00 C ATOM 698 C LEU A 43 -2.345 -6.379 7.519 1.00 0.00 C ATOM 699 O LEU A 43 -3.075 -6.589 6.551 1.00 0.00 O ATOM 700 CB LEU A 43 -0.348 -4.873 7.399 1.00 0.00 C ATOM 701 CG LEU A 43 -0.094 -4.095 6.106 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.395 -4.046 5.797 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.862 -4.719 4.951 1.00 0.00 C ATOM 0 H LEU A 43 -1.096 -4.429 9.703 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.404 -4.263 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.208 -4.397 8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.055 -5.879 7.285 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.449 -3.073 6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.557 -3.489 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.920 -3.553 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.776 -5.061 5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.670 -4.154 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.538 -5.750 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.929 -4.701 5.172 1.00 0.00 H new ATOM 715 N VAL A 44 -1.973 -7.335 8.365 1.00 0.00 N ATOM 716 CA VAL A 44 -2.410 -8.716 8.200 1.00 0.00 C ATOM 717 C VAL A 44 -3.931 -8.815 8.234 1.00 0.00 C ATOM 718 O VAL A 44 -4.553 -9.297 7.288 1.00 0.00 O ATOM 719 CB VAL A 44 -1.822 -9.625 9.296 1.00 0.00 C ATOM 720 CG1 VAL A 44 -2.164 -11.081 9.024 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.317 -9.433 9.398 1.00 0.00 C ATOM 0 H VAL A 44 -1.369 -7.178 9.172 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.047 -9.051 7.228 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.266 -9.345 10.251 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.740 -11.707 9.809 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.247 -11.203 9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.751 -11.378 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.081 -10.083 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.147 -9.684 8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.099 -8.394 9.646 1.00 0.00 H new ATOM 731 N ALA A 45 -4.523 -8.353 9.331 1.00 0.00 N ATOM 732 CA ALA A 45 -5.972 -8.387 9.492 1.00 0.00 C ATOM 733 C ALA A 45 -6.671 -7.722 8.311 1.00 0.00 C ATOM 734 O ALA A 45 -7.765 -8.127 7.915 1.00 0.00 O ATOM 735 CB ALA A 45 -6.374 -7.711 10.794 1.00 0.00 C ATOM 0 H ALA A 45 -4.021 -7.950 10.122 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.285 -9.431 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.458 -7.744 10.901 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.911 -8.231 11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.042 -6.673 10.783 1.00 0.00 H new ATOM 741 N TYR A 46 -6.031 -6.702 7.749 1.00 0.00 N ATOM 742 CA TYR A 46 -6.590 -5.983 6.610 1.00 0.00 C ATOM 743 C TYR A 46 -6.631 -6.878 5.375 1.00 0.00 C ATOM 744 O TYR A 46 -7.681 -7.054 4.757 1.00 0.00 O ATOM 745 CB TYR A 46 -5.768 -4.727 6.318 1.00 0.00 C ATOM 746 CG TYR A 46 -6.300 -3.909 5.162 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.917 -4.187 3.856 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.185 -2.860 5.378 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.400 -3.442 2.797 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.673 -2.111 4.324 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.279 -2.405 3.037 1.00 0.00 C ATOM 752 OH TYR A 46 -7.762 -1.661 1.985 1.00 0.00 O ATOM 0 H TYR A 46 -5.125 -6.355 8.064 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.609 -5.689 6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.743 -4.104 7.212 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.740 -5.018 6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.231 -4.999 3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.496 -2.626 6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.092 -3.670 1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.360 -1.299 4.508 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.659 -1.331 2.202 1.00 0.00 H new ATOM 762 N ALA A 47 -5.481 -7.443 5.024 1.00 0.00 N ATOM 763 CA ALA A 47 -5.385 -8.322 3.866 1.00 0.00 C ATOM 764 C ALA A 47 -6.276 -9.548 4.037 1.00 0.00 C ATOM 765 O ALA A 47 -6.779 -10.104 3.060 1.00 0.00 O ATOM 766 CB ALA A 47 -3.940 -8.745 3.641 1.00 0.00 C ATOM 0 H ALA A 47 -4.603 -7.308 5.525 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.730 -7.771 2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.884 -9.401 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.325 -7.862 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.575 -9.275 4.521 1.00 0.00 H new ATOM 772 N LYS A 48 -6.468 -9.963 5.286 1.00 0.00 N ATOM 773 CA LYS A 48 -7.300 -11.122 5.587 1.00 0.00 C ATOM 774 C LYS A 48 -8.768 -10.825 5.303 1.00 0.00 C ATOM 775 O LYS A 48 -9.526 -11.709 4.905 1.00 0.00 O ATOM 776 CB LYS A 48 -7.125 -11.534 7.050 1.00 0.00 C ATOM 777 CG LYS A 48 -6.001 -12.534 7.269 1.00 0.00 C ATOM 778 CD LYS A 48 -5.811 -12.844 8.746 1.00 0.00 C ATOM 779 CE LYS A 48 -5.494 -14.313 8.971 1.00 0.00 C ATOM 780 NZ LYS A 48 -5.612 -14.693 10.406 1.00 0.00 N ATOM 0 H LYS A 48 -6.059 -9.514 6.105 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.983 -11.943 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.931 -10.644 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.059 -11.964 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.221 -13.454 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.073 -12.136 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.003 -12.231 9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.715 -12.578 9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.171 -14.926 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.483 -14.524 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.388 -15.702 10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.948 -14.126 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.583 -14.516 10.733 1.00 0.00 H new ATOM 794 N LYS A 49 -9.164 -9.573 5.510 1.00 0.00 N ATOM 795 CA LYS A 49 -10.541 -9.157 5.276 1.00 0.00 C ATOM 796 C LYS A 49 -10.824 -9.028 3.783 1.00 0.00 C ATOM 797 O LYS A 49 -11.899 -9.398 3.311 1.00 0.00 O ATOM 798 CB LYS A 49 -10.822 -7.826 5.977 1.00 0.00 C ATOM 799 CG LYS A 49 -10.968 -7.951 7.484 1.00 0.00 C ATOM 800 CD LYS A 49 -11.463 -6.655 8.105 1.00 0.00 C ATOM 801 CE LYS A 49 -10.501 -5.507 7.845 1.00 0.00 C ATOM 802 NZ LYS A 49 -10.966 -4.634 6.732 1.00 0.00 N ATOM 0 H LYS A 49 -8.549 -8.829 5.840 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.199 -9.922 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.013 -7.130 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.735 -7.394 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.664 -8.757 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.008 -8.222 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.444 -6.408 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.588 -6.790 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.392 -4.912 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.515 -5.906 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.146 -4.178 6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.471 -5.209 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.606 -3.905 7.107 1.00 0.00 H new ATOM 816 N VAL A 50 -9.853 -8.502 3.045 1.00 0.00 N ATOM 817 CA VAL A 50 -9.999 -8.323 1.604 1.00 0.00 C ATOM 818 C VAL A 50 -9.888 -9.656 0.875 1.00 0.00 C ATOM 819 O VAL A 50 -10.753 -10.003 0.070 1.00 0.00 O ATOM 820 CB VAL A 50 -8.943 -7.352 1.044 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.278 -6.967 -0.388 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.834 -6.114 1.924 1.00 0.00 C ATOM 0 H VAL A 50 -8.956 -8.192 3.420 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.989 -7.900 1.437 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.977 -7.856 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.521 -6.281 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.300 -7.862 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.254 -6.482 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.083 -5.440 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.798 -5.606 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.543 -6.409 2.932 1.00 0.00 H new ATOM 832 N GLU A 51 -8.827 -10.407 1.162 1.00 0.00 N ATOM 833 CA GLU A 51 -8.629 -11.707 0.528 1.00 0.00 C ATOM 834 C GLU A 51 -9.898 -12.542 0.644 1.00 0.00 C ATOM 835 O GLU A 51 -10.336 -13.164 -0.324 1.00 0.00 O ATOM 836 CB GLU A 51 -7.445 -12.445 1.162 1.00 0.00 C ATOM 837 CG GLU A 51 -7.700 -12.897 2.592 1.00 0.00 C ATOM 838 CD GLU A 51 -6.512 -13.625 3.191 1.00 0.00 C ATOM 839 OE1 GLU A 51 -5.374 -13.136 3.031 1.00 0.00 O ATOM 840 OE2 GLU A 51 -6.721 -14.684 3.819 1.00 0.00 O ATOM 0 H GLU A 51 -8.098 -10.141 1.823 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.405 -11.548 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.203 -13.316 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.572 -11.793 1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.938 -12.029 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.571 -13.551 2.613 1.00 0.00 H new ATOM 847 N GLY A 52 -10.501 -12.522 1.828 1.00 0.00 N ATOM 848 CA GLY A 52 -11.733 -13.252 2.036 1.00 0.00 C ATOM 849 C GLY A 52 -12.834 -12.706 1.153 1.00 0.00 C ATOM 850 O GLY A 52 -13.708 -13.445 0.701 1.00 0.00 O ATOM 0 H GLY A 52 -10.158 -12.014 2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.576 -14.309 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.031 -13.182 3.082 1.00 0.00 H new ATOM 854 N ASP A 53 -12.769 -11.402 0.894 1.00 0.00 N ATOM 855 CA ASP A 53 -13.742 -10.736 0.042 1.00 0.00 C ATOM 856 C ASP A 53 -13.450 -11.043 -1.422 1.00 0.00 C ATOM 857 O ASP A 53 -14.358 -11.123 -2.248 1.00 0.00 O ATOM 858 CB ASP A 53 -13.711 -9.225 0.276 1.00 0.00 C ATOM 859 CG ASP A 53 -14.676 -8.788 1.361 1.00 0.00 C ATOM 860 OD1 ASP A 53 -15.871 -8.597 1.051 1.00 0.00 O ATOM 861 OD2 ASP A 53 -14.237 -8.637 2.521 1.00 0.00 O ATOM 0 H ASP A 53 -12.047 -10.785 1.266 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.736 -11.107 0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.700 -8.923 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.957 -8.711 -0.653 1.00 0.00 H new ATOM 866 N MET A 54 -12.167 -11.222 -1.730 1.00 0.00 N ATOM 867 CA MET A 54 -11.739 -11.529 -3.088 1.00 0.00 C ATOM 868 C MET A 54 -12.147 -12.950 -3.469 1.00 0.00 C ATOM 869 O MET A 54 -12.434 -13.236 -4.631 1.00 0.00 O ATOM 870 CB MET A 54 -10.222 -11.369 -3.211 1.00 0.00 C ATOM 871 CG MET A 54 -9.741 -9.941 -3.007 1.00 0.00 C ATOM 872 SD MET A 54 -10.551 -8.768 -4.112 1.00 0.00 S ATOM 873 CE MET A 54 -11.065 -7.506 -2.951 1.00 0.00 C ATOM 0 H MET A 54 -11.406 -11.159 -1.054 1.00 0.00 H new ATOM 0 HA MET A 54 -12.226 -10.832 -3.770 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.737 -12.015 -2.479 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.908 -11.712 -4.197 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.923 -9.645 -1.974 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.663 -9.899 -3.166 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.932 -6.978 -3.348 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.327 -7.971 -2.000 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.249 -6.799 -2.797 1.00 0.00 H new ATOM 883 N TYR A 55 -12.175 -13.831 -2.475 1.00 0.00 N ATOM 884 CA TYR A 55 -12.551 -15.224 -2.687 1.00 0.00 C ATOM 885 C TYR A 55 -14.058 -15.355 -2.927 1.00 0.00 C ATOM 886 O TYR A 55 -14.530 -16.336 -3.493 1.00 0.00 O ATOM 887 CB TYR A 55 -12.124 -16.082 -1.490 1.00 0.00 C ATOM 888 CG TYR A 55 -12.224 -17.573 -1.737 1.00 0.00 C ATOM 889 CD1 TYR A 55 -13.406 -18.255 -1.483 1.00 0.00 C ATOM 890 CD2 TYR A 55 -11.135 -18.301 -2.215 1.00 0.00 C ATOM 891 CE1 TYR A 55 -13.506 -19.616 -1.699 1.00 0.00 C ATOM 892 CE2 TYR A 55 -11.230 -19.664 -2.434 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.416 -20.316 -2.175 1.00 0.00 C ATOM 894 OH TYR A 55 -12.515 -21.671 -2.390 1.00 0.00 O ATOM 0 H TYR A 55 -11.940 -13.603 -1.509 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.033 -15.583 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -11.095 -15.835 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.743 -15.824 -0.631 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -14.262 -17.712 -1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.203 -17.793 -2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.434 -20.130 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.378 -20.214 -2.806 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.660 -22.012 -2.727 1.00 0.00 H new ATOM 904 N GLU A 56 -14.816 -14.373 -2.469 1.00 0.00 N ATOM 905 CA GLU A 56 -16.262 -14.398 -2.635 1.00 0.00 C ATOM 906 C GLU A 56 -16.700 -13.723 -3.934 1.00 0.00 C ATOM 907 O GLU A 56 -17.790 -13.986 -4.440 1.00 0.00 O ATOM 908 CB GLU A 56 -16.915 -13.744 -1.430 1.00 0.00 C ATOM 909 CG GLU A 56 -16.427 -14.346 -0.127 1.00 0.00 C ATOM 910 CD GLU A 56 -17.557 -14.878 0.735 1.00 0.00 C ATOM 911 OE1 GLU A 56 -18.588 -15.295 0.168 1.00 0.00 O ATOM 912 OE2 GLU A 56 -17.409 -14.877 1.975 1.00 0.00 O ATOM 0 H GLU A 56 -14.458 -13.552 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.585 -15.437 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.703 -12.675 -1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.997 -13.855 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.730 -15.155 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.874 -13.591 0.432 1.00 0.00 H new ATOM 919 N SER A 57 -15.847 -12.854 -4.470 1.00 0.00 N ATOM 920 CA SER A 57 -16.157 -12.145 -5.709 1.00 0.00 C ATOM 921 C SER A 57 -15.919 -13.037 -6.926 1.00 0.00 C ATOM 922 O SER A 57 -16.720 -13.057 -7.861 1.00 0.00 O ATOM 923 CB SER A 57 -15.309 -10.877 -5.821 1.00 0.00 C ATOM 924 OG SER A 57 -15.992 -9.868 -6.545 1.00 0.00 O ATOM 0 H SER A 57 -14.938 -12.624 -4.068 1.00 0.00 H new ATOM 0 HA SER A 57 -17.212 -11.870 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.064 -10.511 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.366 -11.109 -6.316 1.00 0.00 H new ATOM 0 HG SER A 57 -15.429 -9.068 -6.601 1.00 0.00 H new ATOM 930 N ALA A 58 -14.814 -13.775 -6.903 1.00 0.00 N ATOM 931 CA ALA A 58 -14.465 -14.673 -7.999 1.00 0.00 C ATOM 932 C ALA A 58 -15.305 -15.924 -7.979 1.00 0.00 C ATOM 933 O ALA A 58 -15.335 -16.649 -6.991 1.00 0.00 O ATOM 934 CB ALA A 58 -12.996 -15.054 -7.930 1.00 0.00 C ATOM 0 H ALA A 58 -14.143 -13.769 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.661 -14.139 -8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.755 -15.724 -8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.383 -14.155 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.795 -15.557 -6.984 1.00 0.00 H new ATOM 940 N ASN A 59 -15.944 -16.204 -9.101 1.00 0.00 N ATOM 941 CA ASN A 59 -16.730 -17.414 -9.220 1.00 0.00 C ATOM 942 C ASN A 59 -15.843 -18.508 -9.786 1.00 0.00 C ATOM 943 O ASN A 59 -16.303 -19.609 -10.082 1.00 0.00 O ATOM 944 CB ASN A 59 -17.956 -17.222 -10.115 1.00 0.00 C ATOM 945 CG ASN A 59 -18.800 -16.032 -9.701 1.00 0.00 C ATOM 946 OD1 ASN A 59 -18.974 -15.854 -8.396 1.00 0.00 O flip ATOM 947 ND2 ASN A 59 -19.289 -15.280 -10.544 1.00 0.00 N flip ATOM 0 H ASN A 59 -15.934 -15.615 -9.934 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.098 -17.686 -8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.631 -17.091 -11.147 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.567 -18.124 -10.086 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.130 -15.454 -11.536 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -19.853 -14.483 -10.250 1.00 0.00 H new ATOM 954 N SER A 60 -14.557 -18.182 -9.934 1.00 0.00 N ATOM 955 CA SER A 60 -13.585 -19.130 -10.467 1.00 0.00 C ATOM 956 C SER A 60 -12.164 -18.695 -10.127 1.00 0.00 C ATOM 957 O SER A 60 -11.932 -17.547 -9.744 1.00 0.00 O ATOM 958 CB SER A 60 -13.743 -19.259 -11.983 1.00 0.00 C ATOM 959 OG SER A 60 -14.726 -20.224 -12.314 1.00 0.00 O ATOM 0 H SER A 60 -14.169 -17.270 -9.692 1.00 0.00 H new ATOM 0 HA SER A 60 -13.770 -20.101 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.020 -18.293 -12.406 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.789 -19.540 -12.428 1.00 0.00 H new ATOM 0 HG SER A 60 -15.430 -20.221 -11.632 1.00 0.00 H new ATOM 965 N ARG A 61 -11.215 -19.614 -10.266 1.00 0.00 N ATOM 966 CA ARG A 61 -9.818 -19.317 -9.969 1.00 0.00 C ATOM 967 C ARG A 61 -9.329 -18.130 -10.796 1.00 0.00 C ATOM 968 O ARG A 61 -8.804 -17.156 -10.256 1.00 0.00 O ATOM 969 CB ARG A 61 -8.940 -20.542 -10.249 1.00 0.00 C ATOM 970 CG ARG A 61 -7.617 -20.539 -9.492 1.00 0.00 C ATOM 971 CD ARG A 61 -6.846 -19.246 -9.713 1.00 0.00 C ATOM 972 NE ARG A 61 -5.481 -19.317 -9.197 1.00 0.00 N ATOM 973 CZ ARG A 61 -5.154 -19.074 -7.928 1.00 0.00 C ATOM 974 NH1 ARG A 61 -6.095 -18.801 -7.036 1.00 0.00 N ATOM 975 NH2 ARG A 61 -3.885 -19.114 -7.550 1.00 0.00 N ATOM 0 H ARG A 61 -11.387 -20.569 -10.582 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.744 -19.060 -8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.495 -21.443 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.735 -20.594 -11.318 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.807 -20.672 -8.427 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.010 -21.385 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.817 -19.021 -10.779 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.373 -18.424 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.735 -19.567 -9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.075 -18.776 -7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.840 -18.616 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.157 -19.331 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.636 -18.928 -6.579 1.00 0.00 H new ATOM 989 N ASP A 62 -9.502 -18.222 -12.113 1.00 0.00 N ATOM 990 CA ASP A 62 -9.075 -17.162 -13.026 1.00 0.00 C ATOM 991 C ASP A 62 -9.506 -15.787 -12.525 1.00 0.00 C ATOM 992 O ASP A 62 -8.690 -14.872 -12.414 1.00 0.00 O ATOM 993 CB ASP A 62 -9.645 -17.409 -14.424 1.00 0.00 C ATOM 994 CG ASP A 62 -9.129 -18.693 -15.040 1.00 0.00 C ATOM 995 OD1 ASP A 62 -7.908 -18.783 -15.293 1.00 0.00 O ATOM 996 OD2 ASP A 62 -9.944 -19.611 -15.271 1.00 0.00 O ATOM 0 H ASP A 62 -9.936 -19.022 -12.573 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.986 -17.179 -13.071 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.733 -17.448 -14.368 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.389 -16.570 -15.071 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.793 -15.646 -12.225 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.329 -14.379 -11.737 1.00 0.00 C ATOM 1003 C GLU A 63 -10.604 -13.933 -10.471 1.00 0.00 C ATOM 1004 O GLU A 63 -10.223 -12.770 -10.340 1.00 0.00 O ATOM 1005 CB GLU A 63 -12.829 -14.509 -11.463 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.593 -13.207 -11.640 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.308 -13.128 -12.974 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -13.767 -13.653 -13.970 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -15.410 -12.541 -13.024 1.00 0.00 O ATOM 0 H GLU A 63 -11.484 -16.392 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.172 -13.624 -12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.248 -15.261 -12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.974 -14.871 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.321 -13.105 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.901 -12.369 -11.552 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.417 -14.866 -9.544 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.738 -14.574 -8.286 1.00 0.00 C ATOM 1018 C TYR A 64 -8.325 -14.056 -8.536 1.00 0.00 C ATOM 1019 O TYR A 64 -7.826 -13.201 -7.804 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.686 -15.832 -7.415 1.00 0.00 C ATOM 1021 CG TYR A 64 -9.015 -15.625 -6.074 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.451 -14.637 -5.200 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.951 -16.426 -5.680 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.842 -14.452 -3.973 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.339 -16.247 -4.455 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.787 -15.259 -3.606 1.00 0.00 C ATOM 1027 OH TYR A 64 -7.180 -15.079 -2.385 1.00 0.00 O ATOM 0 H TYR A 64 -10.727 -15.833 -9.640 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.301 -13.798 -7.766 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.702 -16.189 -7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.157 -16.615 -7.957 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.279 -14.004 -5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.596 -17.202 -6.343 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.191 -13.679 -3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.513 -16.879 -4.164 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.455 -15.730 -2.281 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.683 -14.582 -9.574 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.326 -14.178 -9.923 1.00 0.00 C ATOM 1039 C TYR A 65 -6.317 -12.832 -10.645 1.00 0.00 C ATOM 1040 O TYR A 65 -5.350 -12.075 -10.555 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.667 -15.245 -10.802 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.328 -15.721 -10.284 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.410 -14.827 -9.747 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -3.982 -17.066 -10.333 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.186 -15.260 -9.273 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.760 -17.507 -9.861 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.866 -16.599 -9.332 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.648 -17.034 -8.862 1.00 0.00 O ATOM 0 H TYR A 65 -8.082 -15.291 -10.189 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.759 -14.072 -8.998 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.339 -16.100 -10.885 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.536 -14.844 -11.807 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.657 -13.777 -9.699 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.680 -17.779 -10.747 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.484 -14.552 -8.858 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.507 -18.556 -9.906 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.581 -18.005 -8.976 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.394 -12.545 -11.370 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.502 -11.296 -12.117 1.00 0.00 C ATOM 1060 C HIS A 66 -7.926 -10.139 -11.214 1.00 0.00 C ATOM 1061 O HIS A 66 -7.234 -9.125 -11.123 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.502 -11.451 -13.264 1.00 0.00 C ATOM 1063 CG HIS A 66 -7.877 -11.917 -14.542 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -7.137 -11.093 -15.364 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -7.884 -13.133 -15.141 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -6.718 -11.780 -16.412 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -7.158 -13.020 -16.300 1.00 0.00 N ATOM 0 H HIS A 66 -8.204 -13.160 -11.456 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.517 -11.066 -12.523 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.276 -12.159 -12.968 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.995 -10.494 -13.437 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.370 -14.025 -14.774 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.118 -11.393 -17.222 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.986 -13.772 -16.967 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.070 -10.293 -10.555 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.586 -9.254 -9.670 1.00 0.00 C ATOM 1078 C LEU A 67 -8.605 -8.951 -8.541 1.00 0.00 C ATOM 1079 O LEU A 67 -8.527 -7.819 -8.064 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.937 -9.674 -9.088 1.00 0.00 C ATOM 1081 CG LEU A 67 -10.902 -10.914 -8.193 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -10.674 -10.519 -6.743 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -12.191 -11.709 -8.335 1.00 0.00 C ATOM 0 H LEU A 67 -9.656 -11.125 -10.617 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.716 -8.347 -10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.342 -8.841 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.628 -9.858 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.072 -11.545 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.652 -11.414 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.724 -9.992 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.482 -9.867 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -12.149 -12.588 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.037 -11.086 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.312 -12.024 -9.372 1.00 0.00 H new ATOM 1095 N LEU A 68 -7.860 -9.965 -8.118 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.887 -9.800 -7.045 1.00 0.00 C ATOM 1097 C LEU A 68 -5.745 -8.885 -7.477 1.00 0.00 C ATOM 1098 O LEU A 68 -5.183 -8.151 -6.664 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.333 -11.160 -6.613 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.247 -11.105 -5.537 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -5.398 -12.266 -4.565 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -3.866 -11.117 -6.173 1.00 0.00 C ATOM 0 H LEU A 68 -7.911 -10.909 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.396 -9.338 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.157 -11.771 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.929 -11.666 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.361 -10.175 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.617 -12.210 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.375 -12.213 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.311 -13.208 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.106 -11.077 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.741 -12.030 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.759 -10.252 -6.828 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.403 -8.936 -8.760 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.326 -8.112 -9.297 1.00 0.00 C ATOM 1116 C ALA A 69 -4.783 -6.672 -9.511 1.00 0.00 C ATOM 1117 O ALA A 69 -3.976 -5.742 -9.467 1.00 0.00 O ATOM 1118 CB ALA A 69 -3.812 -8.703 -10.601 1.00 0.00 C ATOM 0 H ALA A 69 -5.856 -9.539 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.515 -8.101 -8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.008 -8.079 -10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.435 -9.709 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.624 -8.745 -11.327 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.078 -6.493 -9.749 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.640 -5.165 -9.975 1.00 0.00 C ATOM 1126 C GLU A 70 -6.534 -4.300 -8.723 1.00 0.00 C ATOM 1127 O GLU A 70 -6.004 -3.190 -8.767 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.102 -5.276 -10.410 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.504 -4.250 -11.457 1.00 0.00 C ATOM 1130 CD GLU A 70 -9.888 -3.680 -11.215 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -10.876 -4.334 -11.607 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -9.983 -2.580 -10.631 1.00 0.00 O ATOM 0 H GLU A 70 -6.759 -7.251 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.064 -4.688 -10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.280 -6.276 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.742 -5.161 -9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.777 -3.438 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.473 -4.712 -12.444 1.00 0.00 H new ATOM 1139 N LYS A 71 -7.046 -4.811 -7.606 1.00 0.00 N ATOM 1140 CA LYS A 71 -7.013 -4.077 -6.346 1.00 0.00 C ATOM 1141 C LYS A 71 -5.580 -3.735 -5.945 1.00 0.00 C ATOM 1142 O LYS A 71 -5.296 -2.613 -5.525 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.690 -4.886 -5.237 1.00 0.00 C ATOM 1144 CG LYS A 71 -7.221 -6.331 -5.159 1.00 0.00 C ATOM 1145 CD LYS A 71 -6.386 -6.581 -3.913 1.00 0.00 C ATOM 1146 CE LYS A 71 -7.181 -6.309 -2.645 1.00 0.00 C ATOM 1147 NZ LYS A 71 -6.372 -5.585 -1.626 1.00 0.00 N ATOM 0 H LYS A 71 -7.488 -5.729 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.560 -3.145 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.502 -4.400 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.768 -4.872 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.085 -6.995 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.634 -6.572 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.036 -7.613 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.502 -5.944 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.066 -5.721 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.531 -7.253 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.553 -5.992 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.362 -5.678 -1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.635 -4.579 -1.624 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.680 -4.705 -6.079 1.00 0.00 N ATOM 1162 CA ILE A 72 -3.279 -4.494 -5.731 1.00 0.00 C ATOM 1163 C ILE A 72 -2.633 -3.487 -6.678 1.00 0.00 C ATOM 1164 O ILE A 72 -1.744 -2.731 -6.285 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.480 -5.813 -5.776 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -3.166 -6.880 -4.920 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -1.051 -5.587 -5.301 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.661 -8.281 -5.185 1.00 0.00 C ATOM 0 H ILE A 72 -4.895 -5.640 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.257 -4.105 -4.713 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.448 -6.164 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.017 -6.641 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.240 -6.848 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.502 -6.528 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.564 -4.856 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.063 -5.215 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.190 -8.986 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.835 -8.539 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.593 -8.329 -4.973 1.00 0.00 H new ATOM 1180 N TYR A 73 -3.090 -3.483 -7.925 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.563 -2.570 -8.932 1.00 0.00 C ATOM 1182 C TYR A 73 -3.000 -1.136 -8.640 1.00 0.00 C ATOM 1183 O TYR A 73 -2.180 -0.218 -8.624 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.032 -3.008 -10.328 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.122 -1.884 -11.339 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -2.035 -1.055 -11.586 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.296 -1.654 -12.043 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -2.117 -0.028 -12.508 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.386 -0.631 -12.967 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.295 0.179 -13.196 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.380 1.201 -14.114 1.00 0.00 O ATOM 0 H TYR A 73 -3.826 -4.103 -8.263 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.474 -2.602 -8.902 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.347 -3.767 -10.707 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.011 -3.479 -10.238 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.112 -1.215 -11.049 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.154 -2.286 -11.865 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.264 0.609 -12.689 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.307 -0.467 -13.507 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.276 1.210 -14.511 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.296 -0.951 -8.414 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.841 0.372 -8.126 1.00 0.00 C ATOM 1203 C LYS A 74 -4.286 0.916 -6.812 1.00 0.00 C ATOM 1204 O LYS A 74 -3.843 2.063 -6.743 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.370 0.313 -8.068 1.00 0.00 C ATOM 1206 CG LYS A 74 -7.051 1.252 -9.051 1.00 0.00 C ATOM 1207 CD LYS A 74 -7.302 2.618 -8.434 1.00 0.00 C ATOM 1208 CE LYS A 74 -6.116 3.547 -8.638 1.00 0.00 C ATOM 1209 NZ LYS A 74 -6.460 4.963 -8.333 1.00 0.00 N ATOM 0 H LYS A 74 -4.989 -1.699 -8.424 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.542 1.046 -8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.694 -0.708 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.697 0.558 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.430 1.362 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.997 0.818 -9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.193 3.061 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.499 2.506 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.292 3.228 -8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.769 3.472 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.625 5.564 -8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.229 5.276 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.767 5.040 -7.342 1.00 0.00 H new ATOM 1223 N ILE A 75 -4.313 0.088 -5.774 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.813 0.490 -4.464 1.00 0.00 C ATOM 1225 C ILE A 75 -2.303 0.703 -4.494 1.00 0.00 C ATOM 1226 O ILE A 75 -1.768 1.519 -3.743 1.00 0.00 O ATOM 1227 CB ILE A 75 -4.154 -0.559 -3.386 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -5.650 -0.878 -3.406 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -3.734 -0.062 -2.010 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.980 -2.263 -2.894 1.00 0.00 C ATOM 0 H ILE A 75 -4.675 -0.865 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.304 1.430 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.603 -1.473 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.178 -0.141 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.021 -0.779 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.982 -0.814 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.659 0.119 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.260 0.865 -1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.058 -2.420 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.480 -3.008 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.640 -2.360 -1.863 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.620 -0.033 -5.365 1.00 0.00 N ATOM 1243 CA GLN A 76 -0.171 0.078 -5.490 1.00 0.00 C ATOM 1244 C GLN A 76 0.239 1.506 -5.840 1.00 0.00 C ATOM 1245 O GLN A 76 1.313 1.966 -5.453 1.00 0.00 O ATOM 1246 CB GLN A 76 0.346 -0.890 -6.559 1.00 0.00 C ATOM 1247 CG GLN A 76 0.927 -2.172 -5.987 1.00 0.00 C ATOM 1248 CD GLN A 76 2.443 -2.196 -6.031 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.098 -1.177 -5.813 1.00 0.00 O ATOM 1250 NE2 GLN A 76 3.008 -3.365 -6.315 1.00 0.00 N ATOM 0 H GLN A 76 -2.047 -0.713 -5.995 1.00 0.00 H new ATOM 0 HA GLN A 76 0.272 -0.182 -4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.471 -1.141 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.110 -0.388 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.595 -2.288 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.537 -3.024 -6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.426 -4.184 -6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.024 -3.443 -6.359 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.625 2.202 -6.571 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.353 3.578 -6.971 1.00 0.00 C ATOM 1261 C LYS A 77 -0.590 4.541 -5.812 1.00 0.00 C ATOM 1262 O LYS A 77 0.065 5.577 -5.709 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.230 3.967 -8.163 1.00 0.00 C ATOM 1264 CG LYS A 77 -0.562 3.740 -9.510 1.00 0.00 C ATOM 1265 CD LYS A 77 -1.555 3.242 -10.548 1.00 0.00 C ATOM 1266 CE LYS A 77 -2.449 4.366 -11.047 1.00 0.00 C ATOM 1267 NZ LYS A 77 -1.710 5.315 -11.927 1.00 0.00 N ATOM 0 H LYS A 77 -1.519 1.836 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 77 0.695 3.644 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.156 3.393 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.503 5.019 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.110 4.670 -9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.245 3.015 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.016 2.804 -11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.169 2.452 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.291 3.944 -11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.862 4.907 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.388 5.920 -12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.082 5.908 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.144 4.780 -12.616 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.531 4.191 -4.941 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.854 5.023 -3.789 1.00 0.00 C ATOM 1283 C GLU A 78 -0.638 5.197 -2.884 1.00 0.00 C ATOM 1284 O GLU A 78 -0.494 6.220 -2.212 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.011 4.410 -2.998 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.380 4.886 -3.454 1.00 0.00 C ATOM 1287 CD GLU A 78 -4.931 5.997 -2.582 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -4.555 7.167 -2.805 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -5.738 5.697 -1.677 1.00 0.00 O ATOM 0 H GLU A 78 -2.083 3.336 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.154 6.005 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.965 3.325 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.885 4.650 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.314 5.236 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.074 4.045 -3.447 1.00 0.00 H new ATOM 1296 N LEU A 79 0.233 4.193 -2.869 1.00 0.00 N ATOM 1297 CA LEU A 79 1.436 4.236 -2.045 1.00 0.00 C ATOM 1298 C LEU A 79 2.292 5.450 -2.390 1.00 0.00 C ATOM 1299 O LEU A 79 2.938 6.035 -1.520 1.00 0.00 O ATOM 1300 CB LEU A 79 2.251 2.954 -2.230 1.00 0.00 C ATOM 1301 CG LEU A 79 3.216 2.630 -1.089 1.00 0.00 C ATOM 1302 CD1 LEU A 79 3.731 1.205 -1.214 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.372 3.618 -1.072 1.00 0.00 C ATOM 0 H LEU A 79 0.128 3.340 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 79 1.128 4.317 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.562 2.118 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.821 3.034 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 79 2.676 2.717 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.416 0.993 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.892 0.510 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.254 1.089 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.049 3.372 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.911 3.563 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.986 4.628 -0.933 1.00 0.00 H new ATOM 1315 N GLU A 80 2.292 5.825 -3.665 1.00 0.00 N ATOM 1316 CA GLU A 80 3.069 6.970 -4.125 1.00 0.00 C ATOM 1317 C GLU A 80 2.493 8.274 -3.581 1.00 0.00 C ATOM 1318 O GLU A 80 3.223 9.235 -3.340 1.00 0.00 O ATOM 1319 CB GLU A 80 3.099 7.012 -5.654 1.00 0.00 C ATOM 1320 CG GLU A 80 4.255 6.235 -6.261 1.00 0.00 C ATOM 1321 CD GLU A 80 5.584 6.948 -6.103 1.00 0.00 C ATOM 1322 OE1 GLU A 80 6.160 6.892 -4.996 1.00 0.00 O ATOM 1323 OE2 GLU A 80 6.049 7.561 -7.086 1.00 0.00 O ATOM 0 H GLU A 80 1.763 5.353 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 80 4.087 6.859 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.161 6.611 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.159 8.050 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.315 5.254 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.060 6.069 -7.320 1.00 0.00 H new ATOM 1330 N GLU A 81 1.178 8.298 -3.388 1.00 0.00 N ATOM 1331 CA GLU A 81 0.503 9.483 -2.872 1.00 0.00 C ATOM 1332 C GLU A 81 1.021 9.845 -1.483 1.00 0.00 C ATOM 1333 O GLU A 81 1.056 11.016 -1.108 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.009 9.253 -2.820 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.814 10.534 -2.677 1.00 0.00 C ATOM 1336 CD GLU A 81 -2.435 10.981 -3.987 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -3.533 10.487 -4.322 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -1.825 11.824 -4.677 1.00 0.00 O ATOM 0 H GLU A 81 0.559 7.511 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 81 0.715 10.312 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.321 8.737 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.239 8.594 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.601 10.384 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.167 11.325 -2.297 1.00 0.00 H new ATOM 1345 N LYS A 82 1.424 8.830 -0.725 1.00 0.00 N ATOM 1346 CA LYS A 82 1.941 9.041 0.623 1.00 0.00 C ATOM 1347 C LYS A 82 3.250 9.824 0.587 1.00 0.00 C ATOM 1348 O LYS A 82 3.502 10.670 1.444 1.00 0.00 O ATOM 1349 CB LYS A 82 2.155 7.699 1.325 1.00 0.00 C ATOM 1350 CG LYS A 82 0.936 7.214 2.092 1.00 0.00 C ATOM 1351 CD LYS A 82 0.662 8.081 3.311 1.00 0.00 C ATOM 1352 CE LYS A 82 -0.829 8.304 3.512 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.293 9.565 2.871 1.00 0.00 N ATOM 0 H LYS A 82 1.403 7.854 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 82 1.206 9.622 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.429 6.949 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.996 7.788 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.066 7.222 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.090 6.182 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.083 7.607 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.162 9.042 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.381 7.461 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.051 8.336 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.325 9.647 2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.835 10.377 3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.044 9.553 1.861 1.00 0.00 H new ATOM 1367 N ARG A 83 4.080 9.535 -0.411 1.00 0.00 N ATOM 1368 CA ARG A 83 5.362 10.211 -0.558 1.00 0.00 C ATOM 1369 C ARG A 83 5.165 11.701 -0.814 1.00 0.00 C ATOM 1370 O ARG A 83 5.875 12.536 -0.254 1.00 0.00 O ATOM 1371 CB ARG A 83 6.166 9.585 -1.700 1.00 0.00 C ATOM 1372 CG ARG A 83 7.618 9.313 -1.343 1.00 0.00 C ATOM 1373 CD ARG A 83 8.490 10.535 -1.584 1.00 0.00 C ATOM 1374 NE ARG A 83 9.859 10.169 -1.938 1.00 0.00 N ATOM 1375 CZ ARG A 83 10.200 9.598 -3.091 1.00 0.00 C ATOM 1376 NH1 ARG A 83 9.275 9.327 -4.004 1.00 0.00 N ATOM 1377 NH2 ARG A 83 11.469 9.299 -3.332 1.00 0.00 N ATOM 0 H ARG A 83 3.886 8.837 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 83 5.916 10.092 0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.692 8.649 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.131 10.248 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.687 9.016 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.989 8.477 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.058 11.137 -2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.501 11.155 -0.688 1.00 0.00 H new ATOM 0 HE ARG A 83 10.598 10.362 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.298 9.556 -3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.542 8.889 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.183 9.507 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.731 8.861 -4.215 1.00 0.00 H new ATOM 1391 N ARG A 84 4.196 12.029 -1.662 1.00 0.00 N ATOM 1392 CA ARG A 84 3.908 13.422 -1.986 1.00 0.00 C ATOM 1393 C ARG A 84 2.986 14.054 -0.953 1.00 0.00 C ATOM 1394 O ARG A 84 2.699 15.249 -1.017 1.00 0.00 O ATOM 1395 CB ARG A 84 3.293 13.533 -3.382 1.00 0.00 C ATOM 1396 CG ARG A 84 1.928 12.873 -3.499 1.00 0.00 C ATOM 1397 CD ARG A 84 0.952 13.743 -4.276 1.00 0.00 C ATOM 1398 NE ARG A 84 0.600 14.958 -3.544 1.00 0.00 N ATOM 1399 CZ ARG A 84 -0.471 15.700 -3.812 1.00 0.00 C ATOM 1400 NH1 ARG A 84 -1.298 15.356 -4.793 1.00 0.00 N ATOM 1401 NH2 ARG A 84 -0.719 16.789 -3.098 1.00 0.00 N ATOM 0 H ARG A 84 3.598 11.352 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 84 4.852 13.966 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.202 14.586 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.970 13.079 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.031 11.908 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.530 12.679 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.392 14.013 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.048 13.173 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 84 1.211 15.254 -2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.113 14.519 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.118 15.929 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.088 17.058 -2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.540 17.358 -3.304 1.00 0.00 H new ATOM 1415 N SER A 85 2.540 13.258 0.013 1.00 0.00 N ATOM 1416 CA SER A 85 1.675 13.766 1.065 1.00 0.00 C ATOM 1417 C SER A 85 2.419 14.797 1.912 1.00 0.00 C ATOM 1418 O SER A 85 1.817 15.484 2.738 1.00 0.00 O ATOM 1419 CB SER A 85 1.179 12.621 1.949 1.00 0.00 C ATOM 1420 OG SER A 85 0.394 11.705 1.205 1.00 0.00 O ATOM 0 H SER A 85 2.763 12.265 0.087 1.00 0.00 H new ATOM 0 HA SER A 85 0.814 14.247 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.031 12.102 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.590 13.023 2.774 1.00 0.00 H new ATOM 0 HG SER A 85 0.579 11.816 0.249 1.00 0.00 H new ATOM 1426 N ARG A 86 3.735 14.901 1.705 1.00 0.00 N ATOM 1427 CA ARG A 86 4.552 15.851 2.458 1.00 0.00 C ATOM 1428 C ARG A 86 5.657 16.454 1.607 1.00 0.00 C ATOM 1429 O ARG A 86 6.285 17.444 1.981 1.00 0.00 O ATOM 1430 CB ARG A 86 5.158 15.169 3.678 1.00 0.00 C ATOM 1431 CG ARG A 86 4.126 14.659 4.670 1.00 0.00 C ATOM 1432 CD ARG A 86 3.377 15.804 5.332 1.00 0.00 C ATOM 1433 NE ARG A 86 4.212 16.524 6.290 1.00 0.00 N ATOM 1434 CZ ARG A 86 3.934 17.744 6.746 1.00 0.00 C ATOM 1435 NH1 ARG A 86 2.846 18.381 6.334 1.00 0.00 N ATOM 1436 NH2 ARG A 86 4.748 18.327 7.616 1.00 0.00 N ATOM 0 H ARG A 86 4.253 14.342 1.027 1.00 0.00 H new ATOM 0 HA ARG A 86 3.897 16.662 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.774 14.333 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.819 15.872 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.418 14.008 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.619 14.056 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.024 16.496 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.495 15.414 5.841 1.00 0.00 H new ATOM 0 HE ARG A 86 5.058 16.066 6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.218 17.937 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.638 19.315 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.586 17.841 7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.536 19.261 7.966 1.00 0.00 H new ATOM 1450 N LEU A 87 5.881 15.845 0.469 1.00 0.00 N ATOM 1451 CA LEU A 87 6.906 16.295 -0.466 1.00 0.00 C ATOM 1452 C LEU A 87 8.289 16.240 0.177 1.00 0.00 C ATOM 1453 O LEU A 87 9.286 16.435 -0.549 1.00 0.00 O ATOM 1454 CB LEU A 87 6.606 17.720 -0.939 1.00 0.00 C ATOM 1455 CG LEU A 87 5.772 17.815 -2.217 1.00 0.00 C ATOM 1456 CD1 LEU A 87 4.287 17.856 -1.883 1.00 0.00 C ATOM 1457 CD2 LEU A 87 6.174 19.040 -3.026 1.00 0.00 C ATOM 1458 OXT LEU A 87 8.362 16.001 1.401 1.00 0.00 O ATOM 0 H LEU A 87 5.364 15.023 0.156 1.00 0.00 H new ATOM 0 HA LEU A 87 6.897 15.626 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.083 18.249 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.551 18.240 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 87 5.963 16.928 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.709 17.924 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.010 16.949 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.078 18.725 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.570 19.092 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.012 19.938 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.228 18.968 -3.296 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -20.030 10.979 2.840 1.00 0.00 N ATOM 1472 CA GLY B 88 -20.640 9.911 2.001 1.00 0.00 C ATOM 1473 C GLY B 88 -19.723 8.717 1.828 1.00 0.00 C ATOM 1474 O GLY B 88 -20.172 7.570 1.862 1.00 0.00 O ATOM 0 HA2 GLY B 88 -21.575 9.585 2.457 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -20.888 10.320 1.022 1.00 0.00 H new ATOM 1480 N SER B 89 -18.435 8.984 1.639 1.00 0.00 N ATOM 1481 CA SER B 89 -17.452 7.922 1.459 1.00 0.00 C ATOM 1482 C SER B 89 -16.227 8.160 2.334 1.00 0.00 C ATOM 1483 O SER B 89 -15.777 9.295 2.495 1.00 0.00 O ATOM 1484 CB SER B 89 -17.033 7.830 -0.010 1.00 0.00 C ATOM 1485 OG SER B 89 -16.951 9.116 -0.599 1.00 0.00 O ATOM 0 H SER B 89 -18.048 9.927 1.607 1.00 0.00 H new ATOM 0 HA SER B 89 -17.913 6.981 1.759 1.00 0.00 H new ATOM 0 HB2 SER B 89 -16.067 7.330 -0.085 1.00 0.00 H new ATOM 0 HB3 SER B 89 -17.751 7.221 -0.559 1.00 0.00 H new ATOM 0 HG SER B 89 -16.680 9.030 -1.537 1.00 0.00 H new ATOM 1491 N GLY B 90 -15.690 7.083 2.899 1.00 0.00 N ATOM 1492 CA GLY B 90 -14.522 7.197 3.751 1.00 0.00 C ATOM 1493 C GLY B 90 -14.861 7.054 5.222 1.00 0.00 C ATOM 1494 O GLY B 90 -14.849 8.033 5.967 1.00 0.00 O ATOM 0 H GLY B 90 -16.044 6.133 2.781 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -13.797 6.432 3.472 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -14.047 8.163 3.583 1.00 0.00 H new ATOM 1498 N THR B 91 -15.164 5.829 5.642 1.00 0.00 N ATOM 1499 CA THR B 91 -15.508 5.560 7.033 1.00 0.00 C ATOM 1500 C THR B 91 -14.262 5.569 7.913 1.00 0.00 C ATOM 1501 O THR B 91 -14.174 6.334 8.873 1.00 0.00 O ATOM 1502 CB THR B 91 -16.222 4.213 7.153 1.00 0.00 C ATOM 1503 OG1 THR B 91 -17.046 3.981 6.024 1.00 0.00 O ATOM 1504 CG2 THR B 91 -17.091 4.104 8.386 1.00 0.00 C ATOM 0 H THR B 91 -15.178 5.007 5.038 1.00 0.00 H new ATOM 0 HA THR B 91 -16.178 6.349 7.375 1.00 0.00 H new ATOM 0 HB THR B 91 -15.428 3.470 7.222 1.00 0.00 H new ATOM 0 HG1 THR B 91 -17.493 3.114 6.118 1.00 0.00 H new ATOM 0 HG21 THR B 91 -17.568 3.124 8.409 1.00 0.00 H new ATOM 0 HG22 THR B 91 -16.476 4.229 9.277 1.00 0.00 H new ATOM 0 HG23 THR B 91 -17.856 4.880 8.361 1.00 0.00 H new ATOM 1512 N ASP B 92 -13.301 4.714 7.578 1.00 0.00 N ATOM 1513 CA ASP B 92 -12.060 4.623 8.338 1.00 0.00 C ATOM 1514 C ASP B 92 -10.897 5.224 7.554 1.00 0.00 C ATOM 1515 O ASP B 92 -10.897 5.219 6.323 1.00 0.00 O ATOM 1516 CB ASP B 92 -11.757 3.165 8.685 1.00 0.00 C ATOM 1517 CG ASP B 92 -12.822 2.547 9.569 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -12.907 2.932 10.754 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -13.571 1.677 9.077 1.00 0.00 O ATOM 0 H ASP B 92 -13.358 4.075 6.785 1.00 0.00 H new ATOM 0 HA ASP B 92 -12.185 5.191 9.260 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -11.671 2.586 7.765 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -10.792 3.107 9.189 1.00 0.00 H new ATOM 1524 N LYS B 93 -9.908 5.740 8.276 1.00 0.00 N ATOM 1525 CA LYS B 93 -8.738 6.344 7.649 1.00 0.00 C ATOM 1526 C LYS B 93 -7.464 5.609 8.051 1.00 0.00 C ATOM 1527 O LYS B 93 -6.393 6.209 8.144 1.00 0.00 O ATOM 1528 CB LYS B 93 -8.633 7.821 8.035 1.00 0.00 C ATOM 1529 CG LYS B 93 -9.461 8.742 7.153 1.00 0.00 C ATOM 1530 CD LYS B 93 -10.809 9.052 7.784 1.00 0.00 C ATOM 1531 CE LYS B 93 -11.220 10.494 7.536 1.00 0.00 C ATOM 1532 NZ LYS B 93 -11.472 10.762 6.094 1.00 0.00 N ATOM 0 H LYS B 93 -9.893 5.752 9.296 1.00 0.00 H new ATOM 0 HA LYS B 93 -8.854 6.265 6.568 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.952 7.941 9.071 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -7.588 8.127 7.986 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -8.916 9.670 6.981 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.612 8.276 6.179 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.566 8.381 7.377 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.762 8.865 8.857 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.120 10.718 8.109 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.438 11.161 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.750 11.756 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -10.606 10.573 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.236 10.144 5.754 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.587 4.308 8.288 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.445 3.491 8.680 1.00 0.00 C ATOM 1548 C GLU B 94 -5.594 3.123 7.469 1.00 0.00 C ATOM 1549 O GLU B 94 -4.386 2.922 7.585 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.918 2.221 9.391 1.00 0.00 C ATOM 1551 CG GLU B 94 -7.237 2.430 10.862 1.00 0.00 C ATOM 1552 CD GLU B 94 -6.008 2.773 11.681 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -5.112 1.910 11.798 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -5.942 3.905 12.207 1.00 0.00 O ATOM 0 H GLU B 94 -8.466 3.796 8.215 1.00 0.00 H new ATOM 0 HA GLU B 94 -5.832 4.076 9.366 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.806 1.841 8.886 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -6.147 1.455 9.300 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -7.970 3.230 10.961 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -7.696 1.526 11.263 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.233 3.038 6.305 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.532 2.696 5.072 1.00 0.00 C ATOM 1563 C LEU B 95 -4.368 3.651 4.827 1.00 0.00 C ATOM 1564 O LEU B 95 -3.307 3.245 4.354 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.496 2.733 3.885 1.00 0.00 C ATOM 1566 CG LEU B 95 -6.096 1.856 2.697 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -4.698 2.213 2.218 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.174 0.384 3.074 1.00 0.00 C ATOM 0 H LEU B 95 -7.233 3.201 6.190 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.135 1.686 5.176 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.483 2.424 4.229 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.586 3.764 3.542 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.795 2.039 1.881 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -4.430 1.579 1.373 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -4.675 3.258 1.910 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -3.985 2.058 3.028 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.886 -0.227 2.218 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.498 0.185 3.905 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -7.194 0.138 3.369 1.00 0.00 H new ATOM 1580 N SER B 96 -4.577 4.922 5.156 1.00 0.00 N ATOM 1581 CA SER B 96 -3.546 5.937 4.975 1.00 0.00 C ATOM 1582 C SER B 96 -2.504 5.857 6.087 1.00 0.00 C ATOM 1583 O SER B 96 -1.333 6.171 5.876 1.00 0.00 O ATOM 1584 CB SER B 96 -4.174 7.332 4.948 1.00 0.00 C ATOM 1585 OG SER B 96 -3.526 8.166 4.003 1.00 0.00 O ATOM 0 H SER B 96 -5.450 5.273 5.549 1.00 0.00 H new ATOM 0 HA SER B 96 -3.050 5.751 4.022 1.00 0.00 H new ATOM 0 HB2 SER B 96 -5.233 7.253 4.702 1.00 0.00 H new ATOM 0 HB3 SER B 96 -4.110 7.782 5.939 1.00 0.00 H new ATOM 0 HG SER B 96 -3.947 9.051 4.004 1.00 0.00 H new ATOM 1591 N ASP B 97 -2.938 5.434 7.270 1.00 0.00 N ATOM 1592 CA ASP B 97 -2.042 5.313 8.414 1.00 0.00 C ATOM 1593 C ASP B 97 -1.002 4.223 8.179 1.00 0.00 C ATOM 1594 O ASP B 97 0.161 4.370 8.553 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.839 5.008 9.683 1.00 0.00 C ATOM 1596 CG ASP B 97 -1.995 5.119 10.937 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -0.753 5.043 10.825 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -2.575 5.282 12.031 1.00 0.00 O ATOM 0 H ASP B 97 -3.904 5.169 7.461 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.523 6.264 8.538 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.682 5.696 9.754 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -3.254 4.002 9.615 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.430 3.129 7.557 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.534 2.013 7.272 1.00 0.00 C ATOM 1605 C LEU B 98 0.311 2.295 6.034 1.00 0.00 C ATOM 1606 O LEU B 98 1.454 1.847 5.936 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.338 0.726 7.073 1.00 0.00 C ATOM 1608 CG LEU B 98 -1.876 0.093 8.357 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.237 0.672 8.708 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.958 -1.418 8.210 1.00 0.00 C ATOM 0 H LEU B 98 -2.390 2.991 7.241 1.00 0.00 H new ATOM 0 HA LEU B 98 0.134 1.889 8.124 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.178 0.939 6.412 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.708 -0.003 6.563 1.00 0.00 H new ATOM 0 HG LEU B 98 -1.187 0.322 9.170 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -3.604 0.210 9.624 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.148 1.748 8.855 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.937 0.474 7.896 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.343 -1.853 9.132 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -2.625 -1.668 7.385 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.965 -1.818 8.007 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.258 3.040 5.092 1.00 0.00 N ATOM 1623 CA LEU B 99 0.445 3.381 3.860 1.00 0.00 C ATOM 1624 C LEU B 99 1.634 4.293 4.145 1.00 0.00 C ATOM 1625 O LEU B 99 2.634 4.267 3.428 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.510 4.059 2.875 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.224 3.777 1.400 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -0.848 2.456 0.978 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -0.741 4.915 0.531 1.00 0.00 C ATOM 0 H LEU B 99 -1.203 3.419 5.158 1.00 0.00 H new ATOM 0 HA LEU B 99 0.818 2.458 3.417 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.527 3.739 3.100 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.471 5.136 3.038 1.00 0.00 H new ATOM 0 HG LEU B 99 0.855 3.704 1.266 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -0.634 2.272 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -0.431 1.648 1.579 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -1.927 2.499 1.127 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.529 4.698 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.817 5.019 0.670 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.247 5.844 0.816 1.00 0.00 H new ATOM 1641 N ASP B 100 1.519 5.099 5.196 1.00 0.00 N ATOM 1642 CA ASP B 100 2.584 6.020 5.575 1.00 0.00 C ATOM 1643 C ASP B 100 3.877 5.265 5.870 1.00 0.00 C ATOM 1644 O ASP B 100 4.932 5.583 5.321 1.00 0.00 O ATOM 1645 CB ASP B 100 2.168 6.841 6.797 1.00 0.00 C ATOM 1646 CG ASP B 100 2.723 8.251 6.762 1.00 0.00 C ATOM 1647 OD1 ASP B 100 2.348 9.015 5.847 1.00 0.00 O ATOM 1648 OD2 ASP B 100 3.532 8.593 7.650 1.00 0.00 O ATOM 0 H ASP B 100 0.698 5.133 5.801 1.00 0.00 H new ATOM 0 HA ASP B 100 2.761 6.695 4.737 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.080 6.883 6.850 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.512 6.340 7.702 1.00 0.00 H new ATOM 1653 N PHE B 101 3.786 4.267 6.742 1.00 0.00 N ATOM 1654 CA PHE B 101 4.948 3.466 7.111 1.00 0.00 C ATOM 1655 C PHE B 101 5.545 2.778 5.888 1.00 0.00 C ATOM 1656 O PHE B 101 6.752 2.550 5.819 1.00 0.00 O ATOM 1657 CB PHE B 101 4.561 2.422 8.160 1.00 0.00 C ATOM 1658 CG PHE B 101 5.738 1.700 8.753 1.00 0.00 C ATOM 1659 CD1 PHE B 101 6.867 2.398 9.150 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.713 0.325 8.914 1.00 0.00 C ATOM 1661 CE1 PHE B 101 7.951 1.735 9.696 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.793 -0.343 9.459 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.914 0.363 9.851 1.00 0.00 C ATOM 0 H PHE B 101 2.920 3.993 7.207 1.00 0.00 H new ATOM 0 HA PHE B 101 5.699 4.134 7.533 1.00 0.00 H new ATOM 0 HB2 PHE B 101 4.005 2.911 8.960 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.890 1.693 7.705 1.00 0.00 H new ATOM 0 HD1 PHE B 101 6.901 3.471 9.032 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.839 -0.232 8.610 1.00 0.00 H new ATOM 0 HE1 PHE B 101 8.826 2.290 10.001 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.761 -1.416 9.578 1.00 0.00 H new ATOM 0 HZ PHE B 101 8.759 -0.157 10.278 1.00 0.00 H new ATOM 1673 N SER B 102 4.691 2.450 4.924 1.00 0.00 N ATOM 1674 CA SER B 102 5.133 1.787 3.703 1.00 0.00 C ATOM 1675 C SER B 102 5.832 2.771 2.769 1.00 0.00 C ATOM 1676 O SER B 102 6.676 2.383 1.962 1.00 0.00 O ATOM 1677 CB SER B 102 3.944 1.146 2.987 1.00 0.00 C ATOM 1678 OG SER B 102 3.611 -0.103 3.567 1.00 0.00 O ATOM 0 H SER B 102 3.688 2.633 4.965 1.00 0.00 H new ATOM 0 HA SER B 102 5.845 1.010 3.981 1.00 0.00 H new ATOM 0 HB2 SER B 102 3.084 1.814 3.035 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.182 1.009 1.932 1.00 0.00 H new ATOM 0 HG SER B 102 3.413 -0.750 2.858 1.00 0.00 H new ATOM 1684 N ALA B 103 5.476 4.048 2.885 1.00 0.00 N ATOM 1685 CA ALA B 103 6.069 5.088 2.051 1.00 0.00 C ATOM 1686 C ALA B 103 7.592 5.079 2.154 1.00 0.00 C ATOM 1687 O ALA B 103 8.289 5.485 1.223 1.00 0.00 O ATOM 1688 CB ALA B 103 5.521 6.452 2.440 1.00 0.00 C ATOM 0 H ALA B 103 4.780 4.387 3.549 1.00 0.00 H new ATOM 0 HA ALA B 103 5.802 4.881 1.015 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.972 7.219 1.810 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.439 6.462 2.305 1.00 0.00 H new ATOM 0 HB3 ALA B 103 5.758 6.655 3.484 1.00 0.00 H new ATOM 1694 N MET B 104 8.104 4.616 3.291 1.00 0.00 N ATOM 1695 CA MET B 104 9.543 4.555 3.512 1.00 0.00 C ATOM 1696 C MET B 104 10.151 3.346 2.811 1.00 0.00 C ATOM 1697 O MET B 104 11.282 3.401 2.327 1.00 0.00 O ATOM 1698 CB MET B 104 9.848 4.499 5.010 1.00 0.00 C ATOM 1699 CG MET B 104 9.706 5.840 5.712 1.00 0.00 C ATOM 1700 SD MET B 104 9.604 5.678 7.505 1.00 0.00 S ATOM 1701 CE MET B 104 9.295 7.376 7.981 1.00 0.00 C ATOM 0 H MET B 104 7.543 4.278 4.073 1.00 0.00 H new ATOM 0 HA MET B 104 9.988 5.457 3.091 1.00 0.00 H new ATOM 0 HB2 MET B 104 9.179 3.779 5.482 1.00 0.00 H new ATOM 0 HB3 MET B 104 10.864 4.130 5.152 1.00 0.00 H new ATOM 0 HG2 MET B 104 10.557 6.472 5.456 1.00 0.00 H new ATOM 0 HG3 MET B 104 8.812 6.345 5.345 1.00 0.00 H new ATOM 0 HE1 MET B 104 9.207 7.440 9.066 1.00 0.00 H new ATOM 0 HE2 MET B 104 10.121 8.004 7.646 1.00 0.00 H new ATOM 0 HE3 MET B 104 8.369 7.720 7.521 1.00 0.00 H new ATOM 1711 N PHE B 105 9.392 2.252 2.763 1.00 0.00 N ATOM 1712 CA PHE B 105 9.845 1.018 2.124 1.00 0.00 C ATOM 1713 C PHE B 105 11.289 0.692 2.497 1.00 0.00 C ATOM 1714 O PHE B 105 12.028 0.103 1.707 1.00 0.00 O ATOM 1715 CB PHE B 105 9.709 1.123 0.602 1.00 0.00 C ATOM 1716 CG PHE B 105 10.447 2.288 0.008 1.00 0.00 C ATOM 1717 CD1 PHE B 105 11.777 2.167 -0.359 1.00 0.00 C ATOM 1718 CD2 PHE B 105 9.810 3.503 -0.184 1.00 0.00 C ATOM 1719 CE1 PHE B 105 12.460 3.238 -0.906 1.00 0.00 C ATOM 1720 CE2 PHE B 105 10.486 4.577 -0.730 1.00 0.00 C ATOM 1721 CZ PHE B 105 11.812 4.444 -1.092 1.00 0.00 C ATOM 0 H PHE B 105 8.455 2.196 3.162 1.00 0.00 H new ATOM 0 HA PHE B 105 9.211 0.208 2.486 1.00 0.00 H new ATOM 0 HB2 PHE B 105 10.077 0.202 0.149 1.00 0.00 H new ATOM 0 HB3 PHE B 105 8.653 1.205 0.345 1.00 0.00 H new ATOM 0 HD1 PHE B 105 12.287 1.226 -0.216 1.00 0.00 H new ATOM 0 HD2 PHE B 105 8.773 3.612 0.096 1.00 0.00 H new ATOM 0 HE1 PHE B 105 13.497 3.132 -1.187 1.00 0.00 H new ATOM 0 HE2 PHE B 105 9.978 5.519 -0.874 1.00 0.00 H new ATOM 0 HZ PHE B 105 12.342 5.282 -1.520 1.00 0.00 H new ATOM 1731 N SER B 106 11.684 1.080 3.705 1.00 0.00 N ATOM 1732 CA SER B 106 13.039 0.829 4.184 1.00 0.00 C ATOM 1733 C SER B 106 13.203 1.299 5.625 1.00 0.00 C ATOM 1734 O SER B 106 14.314 1.144 6.174 1.00 0.00 O ATOM 1735 CB SER B 106 14.057 1.536 3.286 1.00 0.00 C ATOM 1736 OG SER B 106 15.381 1.150 3.614 1.00 0.00 O ATOM 1737 OXT SER B 106 12.219 1.819 6.193 1.00 0.00 O ATOM 0 H SER B 106 11.085 1.569 4.370 1.00 0.00 H new ATOM 0 HA SER B 106 13.217 -0.246 4.150 1.00 0.00 H new ATOM 0 HB2 SER B 106 13.853 1.297 2.242 1.00 0.00 H new ATOM 0 HB3 SER B 106 13.953 2.616 3.393 1.00 0.00 H new ATOM 0 HG SER B 106 15.450 1.008 4.581 1.00 0.00 H new TER 1743 SER B 106