USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 996 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 129 SER OG : rot 151:sc= 0.582 USER MOD Set 1.2: A 130 SER OG : rot 47:sc= 0.432 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -148:sc= 1.07 (180deg=-0.824) USER MOD Set 2.2: A 46 SER OG : rot -52:sc= -1.44 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0936 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.11) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.0912 K(o=0.091,f=-1.3) USER MOD Single : A 11 SER OG : rot 56:sc= 0.822 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -5.78! C(o=-8.1!,f=-5.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -4.64! C(o=-4.6!,f=-14!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 149:sc= -1.36 (180deg=-2.53) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 136:sc= -5.16! (180deg=-10.3!) USER MOD Single : A 60 THR OG1 : rot -96:sc= -0.82! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 23:sc= -0.467 USER MOD Single : A 70 THR OG1 : rot 120:sc= -0.983 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -68:sc= 0.463 USER MOD Single : A 80 THR OG1 : rot -82:sc= 0.113 USER MOD Single : A 83 HIS : no HE2:sc= -4.89! C(o=-4.9!,f=-6.8!) USER MOD Single : A 94 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 99 GLN :FLIP amide:sc= -1.12! C(o=-1.7!,f=-1.1!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.3) USER MOD Single : A 113 SER OG : rot -28:sc= 1.23 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.933 12.664 -33.482 1.00 0.00 N ATOM 2 CA GLY A 1 -33.918 11.450 -32.684 1.00 0.00 C ATOM 3 C GLY A 1 -32.976 11.592 -31.487 1.00 0.00 C ATOM 4 O GLY A 1 -32.503 12.689 -31.192 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.899 12.843 -33.824 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.618 13.466 -32.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.293 12.553 -34.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.926 11.228 -32.334 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.603 10.609 -33.301 1.00 0.00 H new ATOM 8 N SER A 2 -32.731 10.468 -30.830 1.00 0.00 N ATOM 9 CA SER A 2 -31.855 10.454 -29.672 1.00 0.00 C ATOM 10 C SER A 2 -30.457 9.983 -30.079 1.00 0.00 C ATOM 11 O SER A 2 -30.307 9.233 -31.043 1.00 0.00 O ATOM 12 CB SER A 2 -32.416 9.556 -28.567 1.00 0.00 C ATOM 13 OG SER A 2 -32.597 8.214 -29.010 1.00 0.00 O ATOM 0 H SER A 2 -33.124 9.560 -31.078 1.00 0.00 H new ATOM 0 HA SER A 2 -31.790 11.469 -29.280 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.740 9.567 -27.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.370 9.956 -28.224 1.00 0.00 H new ATOM 0 HG SER A 2 -32.955 7.673 -28.276 1.00 0.00 H new ATOM 19 N SER A 3 -29.469 10.442 -29.325 1.00 0.00 N ATOM 20 CA SER A 3 -28.089 10.077 -29.595 1.00 0.00 C ATOM 21 C SER A 3 -27.371 9.740 -28.287 1.00 0.00 C ATOM 22 O SER A 3 -26.868 8.630 -28.119 1.00 0.00 O ATOM 23 CB SER A 3 -27.356 11.202 -30.329 1.00 0.00 C ATOM 24 OG SER A 3 -27.414 11.043 -31.744 1.00 0.00 O ATOM 0 H SER A 3 -29.597 11.064 -28.527 1.00 0.00 H new ATOM 0 HA SER A 3 -28.087 9.198 -30.239 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.795 12.161 -30.054 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.314 11.225 -30.009 1.00 0.00 H new ATOM 0 HG SER A 3 -26.936 11.782 -32.176 1.00 0.00 H new ATOM 30 N GLY A 4 -27.345 10.718 -27.394 1.00 0.00 N ATOM 31 CA GLY A 4 -26.697 10.539 -26.106 1.00 0.00 C ATOM 32 C GLY A 4 -25.206 10.246 -26.279 1.00 0.00 C ATOM 33 O GLY A 4 -24.785 9.742 -27.320 1.00 0.00 O ATOM 0 H GLY A 4 -27.763 11.638 -27.537 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.827 11.437 -25.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.172 9.720 -25.567 1.00 0.00 H new ATOM 37 N SER A 5 -24.447 10.573 -25.244 1.00 0.00 N ATOM 38 CA SER A 5 -23.011 10.351 -25.268 1.00 0.00 C ATOM 39 C SER A 5 -22.633 9.261 -24.263 1.00 0.00 C ATOM 40 O SER A 5 -22.108 8.216 -24.644 1.00 0.00 O ATOM 41 CB SER A 5 -22.248 11.642 -24.963 1.00 0.00 C ATOM 42 OG SER A 5 -20.861 11.527 -25.268 1.00 0.00 O ATOM 0 H SER A 5 -24.799 10.990 -24.383 1.00 0.00 H new ATOM 0 HA SER A 5 -22.733 10.025 -26.270 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.679 12.462 -25.538 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.368 11.894 -23.909 1.00 0.00 H new ATOM 0 HG SER A 5 -20.409 12.372 -25.061 1.00 0.00 H new ATOM 48 N SER A 6 -22.915 9.542 -23.000 1.00 0.00 N ATOM 49 CA SER A 6 -22.611 8.598 -21.937 1.00 0.00 C ATOM 50 C SER A 6 -23.159 7.215 -22.294 1.00 0.00 C ATOM 51 O SER A 6 -22.406 6.246 -22.370 1.00 0.00 O ATOM 52 CB SER A 6 -23.188 9.069 -20.601 1.00 0.00 C ATOM 53 OG SER A 6 -22.841 10.422 -20.316 1.00 0.00 O ATOM 0 H SER A 6 -23.351 10.410 -22.688 1.00 0.00 H new ATOM 0 HA SER A 6 -21.528 8.537 -21.833 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.273 8.969 -20.620 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.823 8.425 -19.801 1.00 0.00 H new ATOM 0 HG SER A 6 -23.230 10.685 -19.456 1.00 0.00 H new ATOM 59 N GLY A 7 -24.467 7.167 -22.502 1.00 0.00 N ATOM 60 CA GLY A 7 -25.124 5.918 -22.848 1.00 0.00 C ATOM 61 C GLY A 7 -25.056 4.923 -21.689 1.00 0.00 C ATOM 62 O GLY A 7 -24.152 4.090 -21.634 1.00 0.00 O ATOM 0 H GLY A 7 -25.089 7.973 -22.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.165 6.110 -23.106 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.651 5.487 -23.730 1.00 0.00 H new ATOM 66 N HIS A 8 -26.023 5.041 -20.791 1.00 0.00 N ATOM 67 CA HIS A 8 -26.083 4.162 -19.636 1.00 0.00 C ATOM 68 C HIS A 8 -26.536 2.768 -20.075 1.00 0.00 C ATOM 69 O HIS A 8 -27.597 2.617 -20.680 1.00 0.00 O ATOM 70 CB HIS A 8 -26.975 4.758 -18.545 1.00 0.00 C ATOM 71 CG HIS A 8 -26.237 5.629 -17.557 1.00 0.00 C ATOM 72 ND1 HIS A 8 -26.823 6.716 -16.932 1.00 0.00 N ATOM 73 CD2 HIS A 8 -24.957 5.561 -17.091 1.00 0.00 C ATOM 74 CE1 HIS A 8 -25.926 7.271 -16.130 1.00 0.00 C ATOM 75 NE2 HIS A 8 -24.770 6.554 -16.230 1.00 0.00 N ATOM 0 H HIS A 8 -26.771 5.732 -20.840 1.00 0.00 H new ATOM 0 HA HIS A 8 -25.090 4.063 -19.198 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -27.763 5.347 -19.015 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -27.463 3.946 -18.005 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -24.220 4.824 -17.374 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -26.083 8.139 -15.507 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -23.905 6.749 -15.726 1.00 0.00 H new ATOM 83 N SER A 9 -25.709 1.784 -19.755 1.00 0.00 N ATOM 84 CA SER A 9 -26.011 0.407 -20.109 1.00 0.00 C ATOM 85 C SER A 9 -26.287 -0.410 -18.845 1.00 0.00 C ATOM 86 O SER A 9 -27.413 -0.851 -18.621 1.00 0.00 O ATOM 87 CB SER A 9 -24.865 -0.220 -20.906 1.00 0.00 C ATOM 88 OG SER A 9 -23.599 0.318 -20.536 1.00 0.00 O ATOM 0 H SER A 9 -24.830 1.913 -19.254 1.00 0.00 H new ATOM 0 HA SER A 9 -26.901 0.403 -20.738 1.00 0.00 H new ATOM 0 HB2 SER A 9 -24.861 -1.298 -20.747 1.00 0.00 H new ATOM 0 HB3 SER A 9 -25.031 -0.055 -21.971 1.00 0.00 H new ATOM 0 HG SER A 9 -22.894 -0.109 -21.066 1.00 0.00 H new ATOM 94 N HIS A 10 -25.241 -0.586 -18.052 1.00 0.00 N ATOM 95 CA HIS A 10 -25.357 -1.342 -16.817 1.00 0.00 C ATOM 96 C HIS A 10 -24.370 -0.793 -15.784 1.00 0.00 C ATOM 97 O HIS A 10 -24.771 -0.126 -14.832 1.00 0.00 O ATOM 98 CB HIS A 10 -25.172 -2.839 -17.076 1.00 0.00 C ATOM 99 CG HIS A 10 -26.354 -3.684 -16.666 1.00 0.00 C ATOM 100 ND1 HIS A 10 -27.664 -3.300 -16.891 1.00 0.00 N ATOM 101 CD2 HIS A 10 -26.409 -4.896 -16.043 1.00 0.00 C ATOM 102 CE1 HIS A 10 -28.464 -4.246 -16.421 1.00 0.00 C ATOM 103 NE2 HIS A 10 -27.684 -5.234 -15.895 1.00 0.00 N ATOM 0 H HIS A 10 -24.309 -0.218 -18.241 1.00 0.00 H new ATOM 0 HA HIS A 10 -26.361 -1.224 -16.408 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -24.980 -2.992 -18.138 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -24.288 -3.184 -16.539 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -27.963 -2.435 -17.342 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -25.559 -5.481 -15.724 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -29.544 -4.237 -16.449 1.00 0.00 H new ATOM 111 N SER A 11 -23.100 -1.094 -16.008 1.00 0.00 N ATOM 112 CA SER A 11 -22.053 -0.639 -15.109 1.00 0.00 C ATOM 113 C SER A 11 -20.682 -1.035 -15.660 1.00 0.00 C ATOM 114 O SER A 11 -20.070 -1.990 -15.184 1.00 0.00 O ATOM 115 CB SER A 11 -22.246 -1.212 -13.704 1.00 0.00 C ATOM 116 OG SER A 11 -22.157 -2.635 -13.690 1.00 0.00 O ATOM 0 H SER A 11 -22.772 -1.648 -16.799 1.00 0.00 H new ATOM 0 HA SER A 11 -22.110 0.447 -15.040 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.492 -0.795 -13.036 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.218 -0.906 -13.318 1.00 0.00 H new ATOM 0 HG SER A 11 -21.302 -2.913 -14.079 1.00 0.00 H new ATOM 122 N ASP A 12 -20.239 -0.281 -16.656 1.00 0.00 N ATOM 123 CA ASP A 12 -18.951 -0.542 -17.276 1.00 0.00 C ATOM 124 C ASP A 12 -18.012 0.635 -17.004 1.00 0.00 C ATOM 125 O ASP A 12 -17.698 1.405 -17.910 1.00 0.00 O ATOM 126 CB ASP A 12 -19.091 -0.694 -18.792 1.00 0.00 C ATOM 127 CG ASP A 12 -20.023 -1.820 -19.245 1.00 0.00 C ATOM 128 OD1 ASP A 12 -20.390 -2.638 -18.375 1.00 0.00 O ATOM 129 OD2 ASP A 12 -20.348 -1.836 -20.452 1.00 0.00 O ATOM 0 H ASP A 12 -20.749 0.510 -17.049 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.555 -1.466 -16.856 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.455 0.247 -19.204 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -18.103 -0.867 -19.218 1.00 0.00 H new ATOM 134 N LYS A 13 -17.590 0.736 -15.753 1.00 0.00 N ATOM 135 CA LYS A 13 -16.692 1.806 -15.350 1.00 0.00 C ATOM 136 C LYS A 13 -15.276 1.248 -15.198 1.00 0.00 C ATOM 137 O LYS A 13 -14.957 0.622 -14.188 1.00 0.00 O ATOM 138 CB LYS A 13 -17.218 2.502 -14.093 1.00 0.00 C ATOM 139 CG LYS A 13 -17.363 1.509 -12.937 1.00 0.00 C ATOM 140 CD LYS A 13 -16.543 1.954 -11.725 1.00 0.00 C ATOM 141 CE LYS A 13 -17.338 1.779 -10.430 1.00 0.00 C ATOM 142 NZ LYS A 13 -18.061 3.026 -10.093 1.00 0.00 N ATOM 0 H LYS A 13 -17.853 0.095 -15.004 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.649 2.577 -16.119 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.538 3.304 -13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.183 2.963 -14.305 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.413 1.422 -12.658 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.035 0.520 -13.259 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.622 1.373 -11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.255 2.999 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.047 0.959 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.664 1.511 -9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.596 2.890 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.378 3.800 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.718 3.265 -10.863 1.00 0.00 H new ATOM 156 N HIS A 14 -14.464 1.494 -16.215 1.00 0.00 N ATOM 157 CA HIS A 14 -13.089 1.024 -16.207 1.00 0.00 C ATOM 158 C HIS A 14 -12.456 1.313 -14.845 1.00 0.00 C ATOM 159 O HIS A 14 -12.269 2.471 -14.476 1.00 0.00 O ATOM 160 CB HIS A 14 -12.300 1.632 -17.368 1.00 0.00 C ATOM 161 CG HIS A 14 -12.216 3.139 -17.332 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.841 4.047 -16.528 1.00 0.00 N flip ATOM 163 CD2 HIS A 14 -11.416 3.866 -18.195 1.00 0.00 C flip ATOM 164 CE1 HIS A 14 -12.443 5.263 -16.881 1.00 0.00 C flip ATOM 165 NE2 HIS A 14 -11.560 5.153 -17.914 1.00 0.00 N flip ATOM 0 H HIS A 14 -14.732 2.013 -17.051 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.069 -0.056 -16.357 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.290 1.222 -17.361 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -12.762 1.327 -18.307 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -13.502 3.828 -15.782 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.782 3.455 -18.967 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.766 6.187 -16.425 1.00 0.00 H new ATOM 173 N PRO A 15 -12.136 0.211 -14.114 1.00 0.00 N ATOM 174 CA PRO A 15 -11.528 0.335 -12.801 1.00 0.00 C ATOM 175 C PRO A 15 -10.054 0.731 -12.914 1.00 0.00 C ATOM 176 O PRO A 15 -9.486 1.295 -11.980 1.00 0.00 O ATOM 177 CB PRO A 15 -11.730 -1.022 -12.144 1.00 0.00 C ATOM 178 CG PRO A 15 -12.026 -1.992 -13.276 1.00 0.00 C ATOM 179 CD PRO A 15 -12.343 -1.176 -14.519 1.00 0.00 C ATOM 0 HA PRO A 15 -11.980 1.125 -12.201 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.840 -1.325 -11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.553 -0.992 -11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.170 -2.643 -13.455 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.867 -2.635 -13.017 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.690 -1.448 -15.348 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.368 -1.343 -14.852 1.00 0.00 H new ATOM 187 N VAL A 16 -9.477 0.419 -14.065 1.00 0.00 N ATOM 188 CA VAL A 16 -8.081 0.735 -14.312 1.00 0.00 C ATOM 189 C VAL A 16 -7.990 1.801 -15.406 1.00 0.00 C ATOM 190 O VAL A 16 -8.763 1.782 -16.362 1.00 0.00 O ATOM 191 CB VAL A 16 -7.308 -0.540 -14.654 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.836 -1.732 -13.854 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.356 -0.824 -16.157 1.00 0.00 C ATOM 0 H VAL A 16 -9.951 -0.050 -14.837 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.619 1.148 -13.416 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.266 -0.385 -14.376 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.269 -2.626 -14.116 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.726 -1.532 -12.788 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.889 -1.889 -14.087 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.799 -1.736 -16.373 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.392 -0.949 -16.471 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.911 0.010 -16.699 1.00 0.00 H new ATOM 203 N THR A 17 -7.038 2.706 -15.229 1.00 0.00 N ATOM 204 CA THR A 17 -6.836 3.777 -16.189 1.00 0.00 C ATOM 205 C THR A 17 -5.372 4.223 -16.191 1.00 0.00 C ATOM 206 O THR A 17 -4.845 4.640 -15.160 1.00 0.00 O ATOM 207 CB THR A 17 -7.814 4.905 -15.852 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.107 4.709 -14.471 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.166 4.736 -16.548 1.00 0.00 C ATOM 0 H THR A 17 -6.398 2.719 -14.435 1.00 0.00 H new ATOM 0 HA THR A 17 -7.042 3.441 -17.205 1.00 0.00 H new ATOM 0 HB THR A 17 -7.377 5.862 -16.137 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.734 5.399 -14.168 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.822 5.563 -16.275 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.021 4.730 -17.628 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.620 3.795 -16.238 1.00 0.00 H new ATOM 217 N TRP A 18 -4.757 4.118 -17.359 1.00 0.00 N ATOM 218 CA TRP A 18 -3.364 4.505 -17.509 1.00 0.00 C ATOM 219 C TRP A 18 -3.313 5.760 -18.383 1.00 0.00 C ATOM 220 O TRP A 18 -3.576 5.696 -19.583 1.00 0.00 O ATOM 221 CB TRP A 18 -2.532 3.351 -18.071 1.00 0.00 C ATOM 222 CG TRP A 18 -2.388 2.164 -17.116 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.225 1.130 -16.953 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.304 1.930 -16.193 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.761 0.251 -15.996 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.556 0.752 -15.520 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.148 2.688 -15.936 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.698 0.228 -14.545 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.699 2.151 -14.959 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.459 0.966 -14.272 1.00 0.00 C ATOM 0 H TRP A 18 -5.197 3.771 -18.211 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.922 4.738 -16.540 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.989 3.005 -18.998 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.539 3.722 -18.325 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.146 1.001 -17.502 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.219 -0.609 -15.694 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.069 3.612 -16.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.918 -0.696 -14.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.602 2.695 -14.722 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.163 0.617 -13.531 1.00 0.00 H new ATOM 241 N GLN A 19 -2.973 6.872 -17.747 1.00 0.00 N ATOM 242 CA GLN A 19 -2.884 8.139 -18.451 1.00 0.00 C ATOM 243 C GLN A 19 -1.607 8.881 -18.050 1.00 0.00 C ATOM 244 O GLN A 19 -1.116 8.719 -16.935 1.00 0.00 O ATOM 245 CB GLN A 19 -4.122 8.999 -18.191 1.00 0.00 C ATOM 246 CG GLN A 19 -5.360 8.126 -17.974 1.00 0.00 C ATOM 247 CD GLN A 19 -5.509 7.742 -16.501 1.00 0.00 C ATOM 248 OE1 GLN A 19 -4.812 6.884 -15.983 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.453 8.422 -15.857 1.00 0.00 N ATOM 0 H GLN A 19 -2.756 6.921 -16.752 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.842 7.935 -19.521 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.956 9.626 -17.315 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.288 9.668 -19.035 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.250 8.662 -18.306 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.285 7.225 -18.583 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.000 9.127 -16.351 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.630 8.239 -14.869 1.00 0.00 H new ATOM 258 N PRO A 20 -1.094 9.700 -19.007 1.00 0.00 N ATOM 259 CA PRO A 20 0.116 10.467 -18.765 1.00 0.00 C ATOM 260 C PRO A 20 -0.165 11.658 -17.847 1.00 0.00 C ATOM 261 O PRO A 20 -1.318 12.041 -17.655 1.00 0.00 O ATOM 262 CB PRO A 20 0.602 10.882 -20.144 1.00 0.00 C ATOM 263 CG PRO A 20 -0.595 10.732 -21.070 1.00 0.00 C ATOM 264 CD PRO A 20 -1.649 9.917 -20.340 1.00 0.00 C ATOM 0 HA PRO A 20 0.882 9.892 -18.244 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.964 11.910 -20.137 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.430 10.254 -20.472 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.991 11.710 -21.344 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.302 10.236 -21.995 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.598 10.450 -20.291 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.840 8.972 -20.848 1.00 0.00 H new ATOM 272 N SER A 21 0.909 12.211 -17.302 1.00 0.00 N ATOM 273 CA SER A 21 0.793 13.351 -16.409 1.00 0.00 C ATOM 274 C SER A 21 0.238 14.557 -17.169 1.00 0.00 C ATOM 275 O SER A 21 -0.122 14.446 -18.340 1.00 0.00 O ATOM 276 CB SER A 21 2.144 13.697 -15.779 1.00 0.00 C ATOM 277 OG SER A 21 2.950 14.490 -16.645 1.00 0.00 O ATOM 0 H SER A 21 1.864 11.890 -17.462 1.00 0.00 H new ATOM 0 HA SER A 21 0.105 13.087 -15.606 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.981 14.233 -14.844 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.674 12.778 -15.531 1.00 0.00 H new ATOM 0 HG SER A 21 3.803 14.691 -16.206 1.00 0.00 H new ATOM 283 N LYS A 22 0.185 15.683 -16.472 1.00 0.00 N ATOM 284 CA LYS A 22 -0.321 16.908 -17.066 1.00 0.00 C ATOM 285 C LYS A 22 0.432 17.186 -18.369 1.00 0.00 C ATOM 286 O LYS A 22 -0.184 17.386 -19.415 1.00 0.00 O ATOM 287 CB LYS A 22 -0.254 18.059 -16.060 1.00 0.00 C ATOM 288 CG LYS A 22 -1.539 18.889 -16.090 1.00 0.00 C ATOM 289 CD LYS A 22 -2.324 18.732 -14.786 1.00 0.00 C ATOM 290 CE LYS A 22 -2.259 20.011 -13.950 1.00 0.00 C ATOM 291 NZ LYS A 22 -2.313 19.690 -12.506 1.00 0.00 N ATOM 0 H LYS A 22 0.484 15.772 -15.501 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.375 16.800 -17.322 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.097 17.662 -15.057 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.600 18.696 -16.288 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.294 19.939 -16.247 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.158 18.577 -16.931 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.363 18.492 -15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.920 17.898 -14.213 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.340 20.553 -14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.088 20.667 -14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.268 20.570 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.202 19.193 -12.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.508 19.082 -12.255 1.00 0.00 H new ATOM 305 N ASP A 23 1.752 17.191 -18.262 1.00 0.00 N ATOM 306 CA ASP A 23 2.596 17.441 -19.419 1.00 0.00 C ATOM 307 C ASP A 23 2.610 16.200 -20.312 1.00 0.00 C ATOM 308 O ASP A 23 1.886 16.136 -21.305 1.00 0.00 O ATOM 309 CB ASP A 23 4.036 17.737 -18.997 1.00 0.00 C ATOM 310 CG ASP A 23 4.276 19.150 -18.461 1.00 0.00 C ATOM 311 OD1 ASP A 23 3.797 20.097 -19.122 1.00 0.00 O ATOM 312 OD2 ASP A 23 4.932 19.252 -17.402 1.00 0.00 O ATOM 0 H ASP A 23 2.259 17.026 -17.392 1.00 0.00 H new ATOM 0 HA ASP A 23 2.192 18.303 -19.951 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.329 17.019 -18.231 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.690 17.574 -19.853 1.00 0.00 H new ATOM 317 N GLY A 24 3.443 15.243 -19.928 1.00 0.00 N ATOM 318 CA GLY A 24 3.561 14.007 -20.682 1.00 0.00 C ATOM 319 C GLY A 24 4.940 13.374 -20.484 1.00 0.00 C ATOM 320 O GLY A 24 5.580 12.956 -21.448 1.00 0.00 O ATOM 0 H GLY A 24 4.042 15.299 -19.105 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.787 13.308 -20.365 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.397 14.206 -21.741 1.00 0.00 H new ATOM 324 N ASP A 25 5.357 13.323 -19.228 1.00 0.00 N ATOM 325 CA ASP A 25 6.648 12.748 -18.891 1.00 0.00 C ATOM 326 C ASP A 25 6.437 11.492 -18.042 1.00 0.00 C ATOM 327 O ASP A 25 7.109 10.482 -18.244 1.00 0.00 O ATOM 328 CB ASP A 25 7.494 13.730 -18.078 1.00 0.00 C ATOM 329 CG ASP A 25 8.436 14.609 -18.903 1.00 0.00 C ATOM 330 OD1 ASP A 25 7.982 15.084 -19.966 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.588 14.786 -18.452 1.00 0.00 O ATOM 0 H ASP A 25 4.824 13.670 -18.431 1.00 0.00 H new ATOM 0 HA ASP A 25 7.164 12.512 -19.822 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.826 14.375 -17.507 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.086 13.166 -17.357 1.00 0.00 H new ATOM 336 N ARG A 26 5.500 11.596 -17.111 1.00 0.00 N ATOM 337 CA ARG A 26 5.192 10.482 -16.232 1.00 0.00 C ATOM 338 C ARG A 26 3.841 9.869 -16.606 1.00 0.00 C ATOM 339 O ARG A 26 2.909 10.585 -16.968 1.00 0.00 O ATOM 340 CB ARG A 26 5.154 10.929 -14.769 1.00 0.00 C ATOM 341 CG ARG A 26 6.565 11.196 -14.240 1.00 0.00 C ATOM 342 CD ARG A 26 7.188 9.919 -13.672 1.00 0.00 C ATOM 343 NE ARG A 26 8.637 9.887 -13.970 1.00 0.00 N ATOM 344 CZ ARG A 26 9.507 9.054 -13.383 1.00 0.00 C ATOM 345 NH1 ARG A 26 9.079 8.178 -12.463 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.804 9.096 -13.716 1.00 0.00 N ATOM 0 H ARG A 26 4.944 12.435 -16.947 1.00 0.00 H new ATOM 0 HA ARG A 26 5.979 9.737 -16.352 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.550 11.832 -14.676 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.674 10.161 -14.163 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.191 11.584 -15.043 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.528 11.962 -13.466 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.029 9.875 -12.595 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.700 9.044 -14.102 1.00 0.00 H new ATOM 0 HE ARG A 26 8.996 10.540 -14.666 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.091 8.146 -12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.741 7.544 -12.016 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.129 9.762 -14.416 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.466 8.462 -13.269 1.00 0.00 H new ATOM 360 N LEU A 27 3.777 8.549 -16.505 1.00 0.00 N ATOM 361 CA LEU A 27 2.556 7.831 -16.828 1.00 0.00 C ATOM 362 C LEU A 27 1.843 7.439 -15.532 1.00 0.00 C ATOM 363 O LEU A 27 2.290 6.541 -14.821 1.00 0.00 O ATOM 364 CB LEU A 27 2.858 6.646 -17.747 1.00 0.00 C ATOM 365 CG LEU A 27 1.803 6.338 -18.812 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.485 7.048 -18.499 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.320 6.678 -20.211 1.00 0.00 C ATOM 0 H LEU A 27 4.552 7.958 -16.204 1.00 0.00 H new ATOM 0 HA LEU A 27 1.874 8.471 -17.387 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.808 6.833 -18.248 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.993 5.758 -17.130 1.00 0.00 H new ATOM 0 HG LEU A 27 1.603 5.267 -18.795 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.247 6.812 -19.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.112 6.713 -17.531 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.650 8.125 -18.472 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.551 6.450 -20.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.566 7.739 -20.260 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.212 6.088 -20.423 1.00 0.00 H new ATOM 379 N ILE A 28 0.744 8.130 -15.266 1.00 0.00 N ATOM 380 CA ILE A 28 -0.035 7.865 -14.069 1.00 0.00 C ATOM 381 C ILE A 28 -1.013 6.721 -14.346 1.00 0.00 C ATOM 382 O ILE A 28 -1.826 6.804 -15.265 1.00 0.00 O ATOM 383 CB ILE A 28 -0.711 9.146 -13.575 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.251 10.334 -13.640 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.290 8.954 -12.172 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.614 9.969 -13.048 1.00 0.00 C ATOM 0 H ILE A 28 0.375 8.873 -15.859 1.00 0.00 H new ATOM 0 HA ILE A 28 0.614 7.541 -13.256 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.545 9.370 -14.240 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.373 10.651 -14.676 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.171 11.179 -13.096 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.765 9.879 -11.845 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.029 8.153 -12.190 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.489 8.693 -11.480 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.279 10.831 -13.107 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.491 9.676 -12.005 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.044 9.140 -13.610 1.00 0.00 H new ATOM 398 N GLY A 29 -0.902 5.681 -13.533 1.00 0.00 N ATOM 399 CA GLY A 29 -1.766 4.522 -13.679 1.00 0.00 C ATOM 400 C GLY A 29 -2.630 4.322 -12.432 1.00 0.00 C ATOM 401 O GLY A 29 -2.109 4.104 -11.339 1.00 0.00 O ATOM 0 H GLY A 29 -0.227 5.617 -12.771 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.406 4.648 -14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.161 3.632 -13.853 1.00 0.00 H new ATOM 405 N ARG A 30 -3.937 4.403 -12.638 1.00 0.00 N ATOM 406 CA ARG A 30 -4.878 4.234 -11.544 1.00 0.00 C ATOM 407 C ARG A 30 -5.665 2.933 -11.717 1.00 0.00 C ATOM 408 O ARG A 30 -6.529 2.838 -12.588 1.00 0.00 O ATOM 409 CB ARG A 30 -5.856 5.408 -11.472 1.00 0.00 C ATOM 410 CG ARG A 30 -5.686 6.184 -10.165 1.00 0.00 C ATOM 411 CD ARG A 30 -6.280 7.590 -10.281 1.00 0.00 C ATOM 412 NE ARG A 30 -7.749 7.535 -10.108 1.00 0.00 N ATOM 413 CZ ARG A 30 -8.516 8.604 -9.858 1.00 0.00 C ATOM 414 NH1 ARG A 30 -7.960 9.818 -9.750 1.00 0.00 N ATOM 415 NH2 ARG A 30 -9.841 8.460 -9.716 1.00 0.00 N ATOM 0 H ARG A 30 -4.366 4.583 -13.546 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.305 4.196 -10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.692 6.075 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.879 5.039 -11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.173 5.645 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.628 6.252 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.841 8.243 -9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.036 8.018 -11.253 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.206 6.626 -10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.952 9.929 -9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.545 10.632 -9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.265 7.536 -9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.425 9.274 -9.526 1.00 0.00 H new ATOM 429 N ILE A 31 -5.339 1.965 -10.874 1.00 0.00 N ATOM 430 CA ILE A 31 -6.005 0.674 -10.924 1.00 0.00 C ATOM 431 C ILE A 31 -7.024 0.587 -9.786 1.00 0.00 C ATOM 432 O ILE A 31 -6.897 1.283 -8.779 1.00 0.00 O ATOM 433 CB ILE A 31 -4.977 -0.460 -10.916 1.00 0.00 C ATOM 434 CG1 ILE A 31 -4.186 -0.491 -12.226 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.645 -1.803 -10.618 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.771 0.055 -12.025 1.00 0.00 C ATOM 0 H ILE A 31 -4.623 2.048 -10.153 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.558 0.566 -11.857 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.264 -0.270 -10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.135 -1.513 -12.600 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.704 0.100 -12.982 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.893 -2.592 -10.618 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.126 -1.761 -9.641 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.393 -2.015 -11.382 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.230 0.022 -12.971 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.825 1.085 -11.674 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.248 -0.553 -11.287 1.00 0.00 H new ATOM 448 N LEU A 32 -8.013 -0.272 -9.985 1.00 0.00 N ATOM 449 CA LEU A 32 -9.054 -0.459 -8.988 1.00 0.00 C ATOM 450 C LEU A 32 -9.428 -1.941 -8.920 1.00 0.00 C ATOM 451 O LEU A 32 -9.447 -2.628 -9.940 1.00 0.00 O ATOM 452 CB LEU A 32 -10.241 0.463 -9.274 1.00 0.00 C ATOM 453 CG LEU A 32 -11.411 0.373 -8.293 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.146 -0.961 -8.436 1.00 0.00 C ATOM 455 CD2 LEU A 32 -10.943 0.618 -6.857 1.00 0.00 C ATOM 0 H LEU A 32 -8.116 -0.846 -10.822 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.691 -0.176 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.882 1.492 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.614 0.243 -10.274 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.123 1.161 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.973 -0.999 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.533 -1.056 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.456 -1.780 -8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.794 0.548 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.200 -0.131 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.501 1.612 -6.783 1.00 0.00 H new ATOM 467 N LEU A 33 -9.718 -2.390 -7.707 1.00 0.00 N ATOM 468 CA LEU A 33 -10.091 -3.777 -7.492 1.00 0.00 C ATOM 469 C LEU A 33 -11.313 -3.836 -6.574 1.00 0.00 C ATOM 470 O LEU A 33 -11.456 -3.013 -5.671 1.00 0.00 O ATOM 471 CB LEU A 33 -8.895 -4.580 -6.976 1.00 0.00 C ATOM 472 CG LEU A 33 -7.571 -4.360 -7.712 1.00 0.00 C ATOM 473 CD1 LEU A 33 -6.382 -4.546 -6.768 1.00 0.00 C ATOM 474 CD2 LEU A 33 -7.472 -5.262 -8.943 1.00 0.00 C ATOM 0 H LEU A 33 -9.702 -1.817 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.377 -4.245 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.747 -4.338 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.145 -5.640 -7.028 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.543 -3.329 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.454 -4.384 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.451 -3.828 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.393 -5.558 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.522 -5.086 -9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.531 -6.306 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.292 -5.038 -9.625 1.00 0.00 H new ATOM 486 N ASN A 34 -12.164 -4.817 -6.837 1.00 0.00 N ATOM 487 CA ASN A 34 -13.370 -4.994 -6.046 1.00 0.00 C ATOM 488 C ASN A 34 -13.516 -6.469 -5.669 1.00 0.00 C ATOM 489 O ASN A 34 -13.379 -7.347 -6.519 1.00 0.00 O ATOM 490 CB ASN A 34 -14.613 -4.583 -6.837 1.00 0.00 C ATOM 491 CG ASN A 34 -15.872 -4.683 -5.972 1.00 0.00 C ATOM 492 OD1 ASN A 34 -15.952 -4.140 -4.883 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.846 -5.406 -6.517 1.00 0.00 N ATOM 0 H ASN A 34 -12.042 -5.498 -7.587 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.285 -4.368 -5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.497 -3.562 -7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.718 -5.222 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.727 -5.533 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.712 -5.833 -7.433 1.00 0.00 H new ATOM 500 N LYS A 35 -13.791 -6.697 -4.393 1.00 0.00 N ATOM 501 CA LYS A 35 -13.957 -8.051 -3.893 1.00 0.00 C ATOM 502 C LYS A 35 -15.395 -8.237 -3.405 1.00 0.00 C ATOM 503 O LYS A 35 -15.817 -9.357 -3.118 1.00 0.00 O ATOM 504 CB LYS A 35 -12.902 -8.363 -2.830 1.00 0.00 C ATOM 505 CG LYS A 35 -13.104 -7.496 -1.586 1.00 0.00 C ATOM 506 CD LYS A 35 -11.867 -6.641 -1.306 1.00 0.00 C ATOM 507 CE LYS A 35 -10.687 -7.510 -0.866 1.00 0.00 C ATOM 508 NZ LYS A 35 -11.067 -8.353 0.290 1.00 0.00 N ATOM 0 H LYS A 35 -13.903 -5.966 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.795 -8.774 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.957 -9.417 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.906 -8.192 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.972 -6.851 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.313 -8.132 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.597 -6.082 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.094 -5.910 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.364 -8.142 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.841 -6.877 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.237 -8.503 0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.814 -7.878 0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.417 -9.271 -0.050 1.00 0.00 H new ATOM 522 N ARG A 36 -16.108 -7.124 -3.325 1.00 0.00 N ATOM 523 CA ARG A 36 -17.490 -7.150 -2.877 1.00 0.00 C ATOM 524 C ARG A 36 -18.220 -8.352 -3.479 1.00 0.00 C ATOM 525 O ARG A 36 -18.134 -8.598 -4.681 1.00 0.00 O ATOM 526 CB ARG A 36 -18.223 -5.867 -3.273 1.00 0.00 C ATOM 527 CG ARG A 36 -18.334 -4.909 -2.085 1.00 0.00 C ATOM 528 CD ARG A 36 -18.835 -3.535 -2.533 1.00 0.00 C ATOM 529 NE ARG A 36 -20.311 -3.543 -2.635 1.00 0.00 N ATOM 530 CZ ARG A 36 -20.987 -3.969 -3.711 1.00 0.00 C ATOM 531 NH1 ARG A 36 -20.324 -4.423 -4.782 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.327 -3.940 -3.715 1.00 0.00 N ATOM 0 H ARG A 36 -15.755 -6.197 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.484 -7.230 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.692 -5.378 -4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.219 -6.112 -3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.015 -5.324 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.361 -4.806 -1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.516 -2.773 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.397 -3.276 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.847 -3.203 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.304 -4.445 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.839 -4.747 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.832 -3.594 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.842 -4.264 -4.534 1.00 0.00 H new ATOM 546 N LEU A 37 -18.924 -9.070 -2.615 1.00 0.00 N ATOM 547 CA LEU A 37 -19.669 -10.241 -3.046 1.00 0.00 C ATOM 548 C LEU A 37 -20.951 -9.793 -3.750 1.00 0.00 C ATOM 549 O LEU A 37 -21.142 -8.604 -4.003 1.00 0.00 O ATOM 550 CB LEU A 37 -19.912 -11.185 -1.867 1.00 0.00 C ATOM 551 CG LEU A 37 -18.761 -12.129 -1.515 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.081 -12.939 -0.257 1.00 0.00 C ATOM 553 CD2 LEU A 37 -18.406 -13.028 -2.701 1.00 0.00 C ATOM 0 H LEU A 37 -18.994 -8.863 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.091 -10.815 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.144 -10.584 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.795 -11.786 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.880 -11.526 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.246 -13.602 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.245 -12.261 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.980 -13.532 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.585 -13.689 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.275 -13.625 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.105 -12.411 -3.548 1.00 0.00 H new ATOM 565 N LYS A 38 -21.797 -10.769 -4.047 1.00 0.00 N ATOM 566 CA LYS A 38 -23.055 -10.490 -4.717 1.00 0.00 C ATOM 567 C LYS A 38 -23.874 -9.514 -3.870 1.00 0.00 C ATOM 568 O LYS A 38 -24.634 -8.708 -4.405 1.00 0.00 O ATOM 569 CB LYS A 38 -23.792 -11.792 -5.038 1.00 0.00 C ATOM 570 CG LYS A 38 -23.108 -12.541 -6.184 1.00 0.00 C ATOM 571 CD LYS A 38 -22.427 -13.815 -5.678 1.00 0.00 C ATOM 572 CE LYS A 38 -21.453 -14.367 -6.720 1.00 0.00 C ATOM 573 NZ LYS A 38 -20.753 -15.560 -6.194 1.00 0.00 N ATOM 0 H LYS A 38 -21.635 -11.754 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.875 -10.007 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.822 -12.425 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.825 -11.572 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -23.844 -12.796 -6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.370 -11.893 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.893 -13.603 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.181 -14.567 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.994 -14.627 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.726 -13.601 -6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.096 -15.922 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.221 -15.301 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.449 -16.296 -5.960 1.00 0.00 H new ATOM 587 N ASP A 39 -23.691 -9.618 -2.562 1.00 0.00 N ATOM 588 CA ASP A 39 -24.403 -8.754 -1.636 1.00 0.00 C ATOM 589 C ASP A 39 -23.665 -7.419 -1.520 1.00 0.00 C ATOM 590 O ASP A 39 -24.287 -6.378 -1.312 1.00 0.00 O ATOM 591 CB ASP A 39 -24.471 -9.379 -0.241 1.00 0.00 C ATOM 592 CG ASP A 39 -25.876 -9.758 0.231 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.292 -10.896 -0.080 1.00 0.00 O ATOM 594 OD2 ASP A 39 -26.504 -8.902 0.890 1.00 0.00 O ATOM 0 H ASP A 39 -23.060 -10.287 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.414 -8.612 -2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.847 -10.273 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.040 -8.680 0.475 1.00 0.00 H new ATOM 599 N GLY A 40 -22.350 -7.492 -1.661 1.00 0.00 N ATOM 600 CA GLY A 40 -21.521 -6.302 -1.575 1.00 0.00 C ATOM 601 C GLY A 40 -21.100 -6.030 -0.129 1.00 0.00 C ATOM 602 O GLY A 40 -21.221 -4.907 0.356 1.00 0.00 O ATOM 0 H GLY A 40 -21.838 -8.357 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.635 -6.426 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -22.068 -5.444 -1.966 1.00 0.00 H new ATOM 606 N SER A 41 -20.614 -7.079 0.519 1.00 0.00 N ATOM 607 CA SER A 41 -20.174 -6.967 1.900 1.00 0.00 C ATOM 608 C SER A 41 -18.761 -7.535 2.047 1.00 0.00 C ATOM 609 O SER A 41 -18.237 -7.624 3.156 1.00 0.00 O ATOM 610 CB SER A 41 -21.137 -7.689 2.844 1.00 0.00 C ATOM 611 OG SER A 41 -22.329 -6.941 3.067 1.00 0.00 O ATOM 0 H SER A 41 -20.515 -8.010 0.114 1.00 0.00 H new ATOM 0 HA SER A 41 -20.164 -5.911 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.393 -8.662 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 41 -20.641 -7.872 3.797 1.00 0.00 H new ATOM 0 HG SER A 41 -22.918 -7.437 3.673 1.00 0.00 H new ATOM 617 N VAL A 42 -18.185 -7.904 0.912 1.00 0.00 N ATOM 618 CA VAL A 42 -16.843 -8.460 0.901 1.00 0.00 C ATOM 619 C VAL A 42 -16.819 -9.739 1.741 1.00 0.00 C ATOM 620 O VAL A 42 -17.326 -9.760 2.861 1.00 0.00 O ATOM 621 CB VAL A 42 -15.837 -7.411 1.379 1.00 0.00 C ATOM 622 CG1 VAL A 42 -14.492 -8.056 1.719 1.00 0.00 C ATOM 623 CG2 VAL A 42 -15.667 -6.301 0.340 1.00 0.00 C ATOM 0 H VAL A 42 -18.623 -7.829 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.550 -8.732 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.231 -6.959 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.795 -7.288 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.631 -8.792 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.090 -8.547 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.947 -5.569 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.307 -6.730 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.626 -5.813 0.169 1.00 0.00 H new ATOM 633 N PRO A 43 -16.207 -10.802 1.152 1.00 0.00 N ATOM 634 CA PRO A 43 -16.110 -12.081 1.834 1.00 0.00 C ATOM 635 C PRO A 43 -15.048 -12.036 2.935 1.00 0.00 C ATOM 636 O PRO A 43 -14.217 -11.130 2.964 1.00 0.00 O ATOM 637 CB PRO A 43 -15.788 -13.086 0.741 1.00 0.00 C ATOM 638 CG PRO A 43 -15.261 -12.274 -0.431 1.00 0.00 C ATOM 639 CD PRO A 43 -15.594 -10.813 -0.173 1.00 0.00 C ATOM 0 HA PRO A 43 -17.031 -12.354 2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.046 -13.808 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.676 -13.651 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.184 -12.408 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.715 -12.610 -1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.699 -10.192 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.276 -10.423 -0.928 1.00 0.00 H new ATOM 647 N ARG A 44 -15.111 -13.025 3.815 1.00 0.00 N ATOM 648 CA ARG A 44 -14.166 -13.109 4.915 1.00 0.00 C ATOM 649 C ARG A 44 -12.770 -12.688 4.449 1.00 0.00 C ATOM 650 O ARG A 44 -12.137 -11.835 5.068 1.00 0.00 O ATOM 651 CB ARG A 44 -14.101 -14.531 5.477 1.00 0.00 C ATOM 652 CG ARG A 44 -15.107 -14.716 6.615 1.00 0.00 C ATOM 653 CD ARG A 44 -16.361 -15.443 6.125 1.00 0.00 C ATOM 654 NE ARG A 44 -17.317 -15.612 7.243 1.00 0.00 N ATOM 655 CZ ARG A 44 -18.286 -16.537 7.268 1.00 0.00 C ATOM 656 NH1 ARG A 44 -18.434 -17.381 6.239 1.00 0.00 N ATOM 657 NH2 ARG A 44 -19.108 -16.617 8.324 1.00 0.00 N ATOM 0 H ARG A 44 -15.802 -13.775 3.788 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.509 -12.435 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.307 -15.249 4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.094 -14.737 5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.646 -15.283 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.382 -13.744 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.828 -14.877 5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.091 -16.417 5.716 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.233 -14.986 8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.809 -17.320 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.172 -18.085 6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.996 -15.974 9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.846 -17.321 8.344 1.00 0.00 H new ATOM 671 N ASP A 45 -12.332 -13.307 3.362 1.00 0.00 N ATOM 672 CA ASP A 45 -11.024 -13.007 2.807 1.00 0.00 C ATOM 673 C ASP A 45 -11.035 -13.293 1.304 1.00 0.00 C ATOM 674 O ASP A 45 -11.052 -14.451 0.889 1.00 0.00 O ATOM 675 CB ASP A 45 -9.941 -13.878 3.446 1.00 0.00 C ATOM 676 CG ASP A 45 -10.382 -15.299 3.805 1.00 0.00 C ATOM 677 OD1 ASP A 45 -11.413 -15.731 3.245 1.00 0.00 O ATOM 678 OD2 ASP A 45 -9.679 -15.920 4.631 1.00 0.00 O ATOM 0 H ASP A 45 -12.860 -14.015 2.851 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.806 -11.958 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.094 -13.938 2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.586 -13.384 4.351 1.00 0.00 H new ATOM 683 N SER A 46 -11.025 -12.218 0.529 1.00 0.00 N ATOM 684 CA SER A 46 -11.033 -12.340 -0.919 1.00 0.00 C ATOM 685 C SER A 46 -9.636 -12.059 -1.476 1.00 0.00 C ATOM 686 O SER A 46 -8.956 -12.970 -1.945 1.00 0.00 O ATOM 687 CB SER A 46 -12.055 -11.389 -1.545 1.00 0.00 C ATOM 688 OG SER A 46 -12.571 -10.459 -0.596 1.00 0.00 O ATOM 0 H SER A 46 -11.011 -11.259 0.876 1.00 0.00 H new ATOM 0 HA SER A 46 -11.320 -13.360 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.589 -10.847 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.876 -11.967 -1.969 1.00 0.00 H new ATOM 0 HG SER A 46 -12.899 -10.942 0.191 1.00 0.00 H new ATOM 694 N GLY A 47 -9.249 -10.794 -1.406 1.00 0.00 N ATOM 695 CA GLY A 47 -7.946 -10.382 -1.897 1.00 0.00 C ATOM 696 C GLY A 47 -7.321 -9.330 -0.978 1.00 0.00 C ATOM 697 O GLY A 47 -7.370 -8.136 -1.272 1.00 0.00 O ATOM 0 H GLY A 47 -9.816 -10.041 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.288 -11.248 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.044 -9.978 -2.904 1.00 0.00 H new ATOM 701 N ALA A 48 -6.748 -9.811 0.115 1.00 0.00 N ATOM 702 CA ALA A 48 -6.114 -8.927 1.079 1.00 0.00 C ATOM 703 C ALA A 48 -5.005 -8.135 0.385 1.00 0.00 C ATOM 704 O ALA A 48 -5.045 -6.906 0.347 1.00 0.00 O ATOM 705 CB ALA A 48 -5.592 -9.749 2.259 1.00 0.00 C ATOM 0 H ALA A 48 -6.709 -10.802 0.355 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.834 -8.210 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.116 -9.086 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.423 -10.270 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.864 -10.478 1.901 1.00 0.00 H new ATOM 711 N MET A 49 -4.040 -8.870 -0.148 1.00 0.00 N ATOM 712 CA MET A 49 -2.921 -8.251 -0.839 1.00 0.00 C ATOM 713 C MET A 49 -3.212 -8.107 -2.334 1.00 0.00 C ATOM 714 O MET A 49 -2.354 -7.667 -3.097 1.00 0.00 O ATOM 715 CB MET A 49 -1.665 -9.103 -0.643 1.00 0.00 C ATOM 716 CG MET A 49 -0.684 -8.420 0.312 1.00 0.00 C ATOM 717 SD MET A 49 0.991 -8.666 -0.255 1.00 0.00 S ATOM 718 CE MET A 49 1.702 -7.090 0.186 1.00 0.00 C ATOM 0 H MET A 49 -4.010 -9.889 -0.115 1.00 0.00 H new ATOM 0 HA MET A 49 -2.765 -7.257 -0.421 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.942 -10.080 -0.248 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.183 -9.273 -1.605 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.904 -7.354 0.371 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.800 -8.826 1.317 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.757 -7.222 0.428 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.606 -6.400 -0.652 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.179 -6.684 1.052 1.00 0.00 H new ATOM 728 N LEU A 50 -4.426 -8.485 -2.707 1.00 0.00 N ATOM 729 CA LEU A 50 -4.841 -8.403 -4.097 1.00 0.00 C ATOM 730 C LEU A 50 -4.062 -9.433 -4.919 1.00 0.00 C ATOM 731 O LEU A 50 -4.161 -9.457 -6.145 1.00 0.00 O ATOM 732 CB LEU A 50 -4.701 -6.970 -4.615 1.00 0.00 C ATOM 733 CG LEU A 50 -5.621 -5.932 -3.970 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.087 -6.212 -4.309 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.387 -5.854 -2.460 1.00 0.00 C ATOM 0 H LEU A 50 -5.135 -8.849 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.898 -8.650 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.669 -6.651 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.886 -6.973 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.376 -4.954 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.719 -5.459 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.224 -6.176 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.363 -7.200 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.054 -5.109 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.588 -6.826 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.352 -5.572 -2.266 1.00 0.00 H new ATOM 747 N GLY A 51 -3.305 -10.258 -4.210 1.00 0.00 N ATOM 748 CA GLY A 51 -2.510 -11.286 -4.859 1.00 0.00 C ATOM 749 C GLY A 51 -1.118 -10.760 -5.217 1.00 0.00 C ATOM 750 O GLY A 51 -0.224 -11.535 -5.550 1.00 0.00 O ATOM 0 H GLY A 51 -3.226 -10.235 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.418 -12.149 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.017 -11.627 -5.762 1.00 0.00 H new ATOM 754 N LEU A 52 -0.980 -9.444 -5.136 1.00 0.00 N ATOM 755 CA LEU A 52 0.287 -8.805 -5.447 1.00 0.00 C ATOM 756 C LEU A 52 0.989 -8.412 -4.146 1.00 0.00 C ATOM 757 O LEU A 52 0.362 -8.364 -3.089 1.00 0.00 O ATOM 758 CB LEU A 52 0.074 -7.634 -6.409 1.00 0.00 C ATOM 759 CG LEU A 52 -0.076 -6.255 -5.763 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.284 -5.698 -5.337 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.824 -5.294 -6.690 1.00 0.00 C ATOM 0 H LEU A 52 -1.724 -8.804 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 52 0.946 -9.500 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.916 -7.600 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.818 -7.834 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.676 -6.364 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.149 -4.717 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.744 -6.373 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.929 -5.606 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.917 -4.321 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.271 -5.185 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.817 -5.691 -6.901 1.00 0.00 H new ATOM 773 N LYS A 53 2.280 -8.141 -4.265 1.00 0.00 N ATOM 774 CA LYS A 53 3.074 -7.754 -3.111 1.00 0.00 C ATOM 775 C LYS A 53 3.671 -6.366 -3.351 1.00 0.00 C ATOM 776 O LYS A 53 4.057 -6.038 -4.472 1.00 0.00 O ATOM 777 CB LYS A 53 4.118 -8.827 -2.795 1.00 0.00 C ATOM 778 CG LYS A 53 4.917 -8.462 -1.542 1.00 0.00 C ATOM 779 CD LYS A 53 5.816 -9.621 -1.108 1.00 0.00 C ATOM 780 CE LYS A 53 6.787 -9.180 -0.011 1.00 0.00 C ATOM 781 NZ LYS A 53 7.474 -10.353 0.574 1.00 0.00 N ATOM 0 H LYS A 53 2.797 -8.182 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 53 2.446 -7.682 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.625 -9.788 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.795 -8.942 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.525 -7.579 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.234 -8.204 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.203 -10.446 -0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.376 -9.993 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.522 -8.489 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.246 -8.642 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.129 -10.037 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.770 -10.998 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.006 -10.850 -0.169 1.00 0.00 H new ATOM 795 N VAL A 54 3.728 -5.589 -2.280 1.00 0.00 N ATOM 796 CA VAL A 54 4.272 -4.244 -2.359 1.00 0.00 C ATOM 797 C VAL A 54 5.278 -4.037 -1.225 1.00 0.00 C ATOM 798 O VAL A 54 5.026 -4.430 -0.087 1.00 0.00 O ATOM 799 CB VAL A 54 3.137 -3.218 -2.345 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.686 -1.792 -2.409 1.00 0.00 C ATOM 801 CG2 VAL A 54 2.150 -3.477 -3.486 1.00 0.00 C ATOM 0 H VAL A 54 3.406 -5.865 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 54 4.807 -4.104 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 54 2.598 -3.327 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.858 -1.083 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.331 -1.611 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.261 -1.664 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.353 -2.734 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.671 -3.408 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.722 -4.473 -3.377 1.00 0.00 H new ATOM 811 N VAL A 55 6.398 -3.420 -1.575 1.00 0.00 N ATOM 812 CA VAL A 55 7.443 -3.157 -0.601 1.00 0.00 C ATOM 813 C VAL A 55 7.589 -1.645 -0.412 1.00 0.00 C ATOM 814 O VAL A 55 8.008 -0.940 -1.329 1.00 0.00 O ATOM 815 CB VAL A 55 8.745 -3.834 -1.034 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.957 -3.144 -0.405 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.726 -5.326 -0.695 1.00 0.00 C ATOM 0 H VAL A 55 6.604 -3.095 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 55 7.178 -3.582 0.367 1.00 0.00 H new ATOM 0 HB VAL A 55 8.829 -3.738 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.869 -3.645 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.985 -2.100 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.881 -3.195 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.663 -5.783 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.607 -5.453 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.894 -5.806 -1.211 1.00 0.00 H new ATOM 827 N GLY A 56 7.236 -1.193 0.782 1.00 0.00 N ATOM 828 CA GLY A 56 7.322 0.221 1.102 1.00 0.00 C ATOM 829 C GLY A 56 8.615 0.534 1.859 1.00 0.00 C ATOM 830 O GLY A 56 9.517 -0.299 1.924 1.00 0.00 O ATOM 0 H GLY A 56 6.890 -1.781 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.282 0.808 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.463 0.514 1.706 1.00 0.00 H new ATOM 834 N GLY A 57 8.662 1.737 2.412 1.00 0.00 N ATOM 835 CA GLY A 57 9.829 2.170 3.162 1.00 0.00 C ATOM 836 C GLY A 57 11.105 2.012 2.332 1.00 0.00 C ATOM 837 O GLY A 57 12.206 1.987 2.878 1.00 0.00 O ATOM 0 H GLY A 57 7.911 2.425 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.710 3.213 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.913 1.587 4.079 1.00 0.00 H new ATOM 841 N LYS A 58 10.913 1.908 1.025 1.00 0.00 N ATOM 842 CA LYS A 58 12.034 1.753 0.114 1.00 0.00 C ATOM 843 C LYS A 58 12.810 3.069 0.037 1.00 0.00 C ATOM 844 O LYS A 58 12.253 4.101 -0.336 1.00 0.00 O ATOM 845 CB LYS A 58 11.552 1.243 -1.246 1.00 0.00 C ATOM 846 CG LYS A 58 12.706 1.182 -2.249 1.00 0.00 C ATOM 847 CD LYS A 58 12.763 -0.182 -2.939 1.00 0.00 C ATOM 848 CE LYS A 58 11.956 -0.173 -4.239 1.00 0.00 C ATOM 849 NZ LYS A 58 12.696 -0.873 -5.313 1.00 0.00 N ATOM 0 H LYS A 58 9.998 1.928 0.575 1.00 0.00 H new ATOM 0 HA LYS A 58 12.725 0.997 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.112 0.252 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.768 1.898 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.585 1.966 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.649 1.373 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.800 -0.443 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.373 -0.949 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.992 -0.656 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.752 0.854 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.134 -0.858 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.605 -0.395 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.869 -1.859 -5.030 1.00 0.00 H new ATOM 863 N MET A 59 14.083 2.990 0.396 1.00 0.00 N ATOM 864 CA MET A 59 14.941 4.163 0.373 1.00 0.00 C ATOM 865 C MET A 59 15.256 4.583 -1.064 1.00 0.00 C ATOM 866 O MET A 59 15.898 3.841 -1.805 1.00 0.00 O ATOM 867 CB MET A 59 16.244 3.857 1.113 1.00 0.00 C ATOM 868 CG MET A 59 16.341 4.664 2.409 1.00 0.00 C ATOM 869 SD MET A 59 16.691 6.374 2.039 1.00 0.00 S ATOM 870 CE MET A 59 15.224 7.142 2.706 1.00 0.00 C ATOM 0 H MET A 59 14.541 2.132 0.704 1.00 0.00 H new ATOM 0 HA MET A 59 14.418 4.983 0.865 1.00 0.00 H new ATOM 0 HB2 MET A 59 16.297 2.792 1.339 1.00 0.00 H new ATOM 0 HB3 MET A 59 17.094 4.089 0.471 1.00 0.00 H new ATOM 0 HG2 MET A 59 15.407 4.588 2.965 1.00 0.00 H new ATOM 0 HG3 MET A 59 17.125 4.253 3.045 1.00 0.00 H new ATOM 0 HE1 MET A 59 15.503 8.032 3.270 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.558 7.423 1.891 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.714 6.440 3.366 1.00 0.00 H new ATOM 880 N THR A 60 14.789 5.772 -1.415 1.00 0.00 N ATOM 881 CA THR A 60 15.013 6.300 -2.750 1.00 0.00 C ATOM 882 C THR A 60 16.371 7.001 -2.826 1.00 0.00 C ATOM 883 O THR A 60 17.169 6.917 -1.894 1.00 0.00 O ATOM 884 CB THR A 60 13.837 7.214 -3.101 1.00 0.00 C ATOM 885 OG1 THR A 60 13.686 8.042 -1.951 1.00 0.00 O ATOM 886 CG2 THR A 60 12.512 6.455 -3.191 1.00 0.00 C ATOM 0 H THR A 60 14.256 6.385 -0.798 1.00 0.00 H new ATOM 0 HA THR A 60 15.054 5.500 -3.489 1.00 0.00 H new ATOM 0 HB THR A 60 14.035 7.712 -4.050 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.999 7.664 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.711 7.150 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.583 5.689 -3.963 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.296 5.985 -2.232 1.00 0.00 H new ATOM 894 N GLU A 61 16.591 7.677 -3.944 1.00 0.00 N ATOM 895 CA GLU A 61 17.838 8.392 -4.153 1.00 0.00 C ATOM 896 C GLU A 61 17.754 9.795 -3.548 1.00 0.00 C ATOM 897 O GLU A 61 18.746 10.521 -3.516 1.00 0.00 O ATOM 898 CB GLU A 61 18.190 8.456 -5.640 1.00 0.00 C ATOM 899 CG GLU A 61 17.353 9.517 -6.357 1.00 0.00 C ATOM 900 CD GLU A 61 17.464 9.370 -7.876 1.00 0.00 C ATOM 901 OE1 GLU A 61 16.630 8.626 -8.436 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.380 10.004 -8.442 1.00 0.00 O ATOM 0 H GLU A 61 15.926 7.745 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 61 18.636 7.847 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.250 8.684 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.020 7.482 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.310 9.427 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.687 10.511 -6.059 1.00 0.00 H new ATOM 909 N SER A 62 16.560 10.134 -3.085 1.00 0.00 N ATOM 910 CA SER A 62 16.333 11.437 -2.483 1.00 0.00 C ATOM 911 C SER A 62 16.144 11.290 -0.972 1.00 0.00 C ATOM 912 O SER A 62 15.670 12.211 -0.309 1.00 0.00 O ATOM 913 CB SER A 62 15.117 12.126 -3.105 1.00 0.00 C ATOM 914 OG SER A 62 15.415 13.454 -3.528 1.00 0.00 O ATOM 0 H SER A 62 15.739 9.529 -3.115 1.00 0.00 H new ATOM 0 HA SER A 62 17.207 12.059 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.767 11.544 -3.957 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.304 12.150 -2.380 1.00 0.00 H new ATOM 0 HG SER A 62 14.614 13.860 -3.921 1.00 0.00 H new ATOM 920 N GLY A 63 16.526 10.124 -0.471 1.00 0.00 N ATOM 921 CA GLY A 63 16.405 9.844 0.950 1.00 0.00 C ATOM 922 C GLY A 63 14.936 9.759 1.369 1.00 0.00 C ATOM 923 O GLY A 63 14.612 9.906 2.546 1.00 0.00 O ATOM 0 H GLY A 63 16.919 9.362 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.908 8.906 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.905 10.625 1.522 1.00 0.00 H new ATOM 927 N ARG A 64 14.085 9.521 0.381 1.00 0.00 N ATOM 928 CA ARG A 64 12.658 9.414 0.632 1.00 0.00 C ATOM 929 C ARG A 64 12.221 7.948 0.593 1.00 0.00 C ATOM 930 O ARG A 64 12.977 7.082 0.155 1.00 0.00 O ATOM 931 CB ARG A 64 11.856 10.206 -0.402 1.00 0.00 C ATOM 932 CG ARG A 64 11.366 11.532 0.183 1.00 0.00 C ATOM 933 CD ARG A 64 10.444 12.257 -0.800 1.00 0.00 C ATOM 934 NE ARG A 64 11.017 13.575 -1.154 1.00 0.00 N ATOM 935 CZ ARG A 64 11.142 14.595 -0.294 1.00 0.00 C ATOM 936 NH1 ARG A 64 10.736 14.455 0.975 1.00 0.00 N ATOM 937 NH2 ARG A 64 11.674 15.755 -0.704 1.00 0.00 N ATOM 0 H ARG A 64 14.357 9.399 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 64 12.463 9.829 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.475 10.398 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.004 9.615 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.835 11.348 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.220 12.166 0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.312 11.655 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.457 12.388 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 64 11.337 13.716 -2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.332 13.572 1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.831 15.231 1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.983 15.861 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.769 16.532 -0.050 1.00 0.00 H new ATOM 951 N LEU A 65 11.002 7.715 1.057 1.00 0.00 N ATOM 952 CA LEU A 65 10.455 6.369 1.081 1.00 0.00 C ATOM 953 C LEU A 65 9.346 6.255 0.033 1.00 0.00 C ATOM 954 O LEU A 65 8.599 7.206 -0.191 1.00 0.00 O ATOM 955 CB LEU A 65 10.004 5.998 2.495 1.00 0.00 C ATOM 956 CG LEU A 65 11.079 6.067 3.582 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.450 6.078 4.976 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.095 4.934 3.420 1.00 0.00 C ATOM 0 H LEU A 65 10.378 8.436 1.419 1.00 0.00 H new ATOM 0 HA LEU A 65 11.222 5.642 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.185 6.659 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.602 4.985 2.473 1.00 0.00 H new ATOM 0 HG LEU A 65 11.621 7.005 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.236 6.127 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.798 6.946 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.867 5.168 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.848 5.006 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.584 3.974 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.577 5.014 2.446 1.00 0.00 H new ATOM 970 N CYS A 66 9.275 5.083 -0.582 1.00 0.00 N ATOM 971 CA CYS A 66 8.270 4.833 -1.601 1.00 0.00 C ATOM 972 C CYS A 66 7.961 3.334 -1.613 1.00 0.00 C ATOM 973 O CYS A 66 8.711 2.538 -1.050 1.00 0.00 O ATOM 974 CB CYS A 66 8.721 5.334 -2.975 1.00 0.00 C ATOM 975 SG CYS A 66 8.487 7.145 -3.088 1.00 0.00 S ATOM 0 H CYS A 66 9.897 4.297 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 66 7.362 5.388 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 66 9.770 5.084 -3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.150 4.836 -3.758 1.00 0.00 H new ATOM 0 HG CYS A 66 8.470 7.656 -1.893 1.00 0.00 H new ATOM 981 N ALA A 67 6.856 2.996 -2.261 1.00 0.00 N ATOM 982 CA ALA A 67 6.439 1.607 -2.354 1.00 0.00 C ATOM 983 C ALA A 67 6.484 1.162 -3.817 1.00 0.00 C ATOM 984 O ALA A 67 6.172 1.941 -4.716 1.00 0.00 O ATOM 985 CB ALA A 67 5.047 1.450 -1.739 1.00 0.00 C ATOM 0 H ALA A 67 6.237 3.660 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 67 7.118 0.964 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.734 0.408 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.076 1.751 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.338 2.079 -2.278 1.00 0.00 H new ATOM 991 N PHE A 68 6.874 -0.089 -4.010 1.00 0.00 N ATOM 992 CA PHE A 68 6.963 -0.647 -5.349 1.00 0.00 C ATOM 993 C PHE A 68 6.565 -2.124 -5.355 1.00 0.00 C ATOM 994 O PHE A 68 6.849 -2.852 -4.405 1.00 0.00 O ATOM 995 CB PHE A 68 8.424 -0.523 -5.789 1.00 0.00 C ATOM 996 CG PHE A 68 9.006 0.882 -5.625 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.458 1.293 -4.410 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.070 1.721 -6.694 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.998 2.598 -4.257 1.00 0.00 C ATOM 1000 CE2 PHE A 68 9.610 3.025 -6.541 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.063 3.436 -5.326 1.00 0.00 C ATOM 0 H PHE A 68 7.132 -0.732 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 68 6.289 -0.114 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.027 -1.225 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.504 -0.818 -6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.406 0.627 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.710 1.395 -7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.357 2.924 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.661 3.691 -7.390 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.474 4.428 -5.210 1.00 0.00 H new ATOM 1011 N ILE A 69 5.913 -2.524 -6.437 1.00 0.00 N ATOM 1012 CA ILE A 69 5.472 -3.901 -6.580 1.00 0.00 C ATOM 1013 C ILE A 69 6.695 -4.820 -6.628 1.00 0.00 C ATOM 1014 O ILE A 69 7.707 -4.481 -7.239 1.00 0.00 O ATOM 1015 CB ILE A 69 4.546 -4.045 -7.789 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.285 -3.195 -7.618 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.215 -5.515 -8.054 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.421 -3.236 -8.880 1.00 0.00 C ATOM 0 H ILE A 69 5.679 -1.918 -7.223 1.00 0.00 H new ATOM 0 HA ILE A 69 4.879 -4.203 -5.717 1.00 0.00 H new ATOM 0 HB ILE A 69 5.070 -3.670 -8.668 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.709 -3.559 -6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.564 -2.165 -7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.555 -5.589 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.135 -6.065 -8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.718 -5.939 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.531 -2.624 -8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.991 -2.849 -9.724 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.124 -4.265 -9.084 1.00 0.00 H new ATOM 1030 N THR A 70 6.560 -5.966 -5.977 1.00 0.00 N ATOM 1031 CA THR A 70 7.640 -6.936 -5.938 1.00 0.00 C ATOM 1032 C THR A 70 7.261 -8.189 -6.730 1.00 0.00 C ATOM 1033 O THR A 70 8.054 -8.689 -7.525 1.00 0.00 O ATOM 1034 CB THR A 70 7.968 -7.221 -4.471 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.835 -7.942 -3.995 1.00 0.00 O ATOM 1036 CG2 THR A 70 7.985 -5.950 -3.618 1.00 0.00 C ATOM 0 H THR A 70 5.718 -6.244 -5.472 1.00 0.00 H new ATOM 0 HA THR A 70 8.538 -6.546 -6.417 1.00 0.00 H new ATOM 0 HB THR A 70 8.937 -7.716 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.118 -8.826 -3.681 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.223 -6.208 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.739 -5.263 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.006 -5.473 -3.657 1.00 0.00 H new ATOM 1044 N LYS A 71 6.047 -8.660 -6.484 1.00 0.00 N ATOM 1045 CA LYS A 71 5.553 -9.845 -7.164 1.00 0.00 C ATOM 1046 C LYS A 71 4.029 -9.765 -7.275 1.00 0.00 C ATOM 1047 O LYS A 71 3.363 -9.253 -6.377 1.00 0.00 O ATOM 1048 CB LYS A 71 6.052 -11.111 -6.466 1.00 0.00 C ATOM 1049 CG LYS A 71 5.593 -12.366 -7.211 1.00 0.00 C ATOM 1050 CD LYS A 71 6.787 -13.244 -7.594 1.00 0.00 C ATOM 1051 CE LYS A 71 7.402 -12.785 -8.918 1.00 0.00 C ATOM 1052 NZ LYS A 71 8.861 -13.036 -8.925 1.00 0.00 N ATOM 0 H LYS A 71 5.391 -8.242 -5.824 1.00 0.00 H new ATOM 0 HA LYS A 71 5.946 -9.893 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.140 -11.095 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.681 -11.136 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.905 -12.934 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.044 -12.080 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.539 -13.205 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.467 -14.283 -7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.932 -13.314 -9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.209 -11.723 -9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.263 -12.719 -9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.307 -12.512 -8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.039 -14.054 -8.805 1.00 0.00 H new ATOM 1066 N VAL A 72 3.521 -10.279 -8.386 1.00 0.00 N ATOM 1067 CA VAL A 72 2.088 -10.272 -8.627 1.00 0.00 C ATOM 1068 C VAL A 72 1.664 -11.628 -9.193 1.00 0.00 C ATOM 1069 O VAL A 72 1.985 -11.956 -10.335 1.00 0.00 O ATOM 1070 CB VAL A 72 1.716 -9.101 -9.539 1.00 0.00 C ATOM 1071 CG1 VAL A 72 2.869 -8.754 -10.483 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.437 -9.400 -10.322 1.00 0.00 C ATOM 0 H VAL A 72 4.076 -10.703 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 72 1.545 -10.125 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 72 1.526 -8.232 -8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.579 -7.919 -11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.747 -8.477 -9.899 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.104 -9.619 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.195 -8.551 -10.962 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.586 -10.288 -10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.383 -9.574 -9.626 1.00 0.00 H new ATOM 1082 N LYS A 73 0.948 -12.380 -8.370 1.00 0.00 N ATOM 1083 CA LYS A 73 0.477 -13.693 -8.774 1.00 0.00 C ATOM 1084 C LYS A 73 -0.290 -13.572 -10.092 1.00 0.00 C ATOM 1085 O LYS A 73 -0.908 -12.543 -10.362 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.333 -14.342 -7.649 1.00 0.00 C ATOM 1087 CG LYS A 73 -0.635 -15.808 -7.966 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.281 -16.709 -6.782 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.222 -18.177 -7.208 1.00 0.00 C ATOM 1090 NZ LYS A 73 0.078 -19.043 -6.046 1.00 0.00 N ATOM 0 H LYS A 73 0.683 -12.104 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 73 1.320 -14.360 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.221 -14.275 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.266 -13.797 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.691 -15.921 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.070 -16.118 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.681 -16.408 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.022 -16.585 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.173 -18.471 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.542 -18.309 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.114 -20.036 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.996 -18.773 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.665 -18.930 -5.328 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.224 -14.636 -10.879 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.905 -14.661 -12.162 1.00 0.00 C ATOM 1106 C LYS A 74 -2.294 -15.278 -11.986 1.00 0.00 C ATOM 1107 O LYS A 74 -2.419 -16.483 -11.774 1.00 0.00 O ATOM 1108 CB LYS A 74 -0.045 -15.371 -13.211 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.594 -15.137 -14.619 1.00 0.00 C ATOM 1110 CD LYS A 74 0.396 -14.334 -15.467 1.00 0.00 C ATOM 1111 CE LYS A 74 0.714 -15.062 -16.775 1.00 0.00 C ATOM 1112 NZ LYS A 74 2.167 -15.021 -17.051 1.00 0.00 N ATOM 0 H LYS A 74 0.291 -15.487 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.051 -13.647 -12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.981 -15.008 -13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.017 -16.440 -13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.796 -16.095 -15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.543 -14.604 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.021 -13.351 -15.686 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.315 -14.172 -14.904 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.379 -16.097 -16.713 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.168 -14.599 -17.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.365 -15.519 -17.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.477 -14.032 -17.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.681 -15.483 -16.274 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.302 -14.424 -12.081 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.677 -14.869 -11.935 1.00 0.00 C ATOM 1128 C GLY A 75 -5.324 -14.252 -10.694 1.00 0.00 C ATOM 1129 O GLY A 75 -6.329 -14.759 -10.196 1.00 0.00 O ATOM 0 H GLY A 75 -3.194 -13.425 -12.257 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.248 -14.594 -12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.705 -15.956 -11.862 1.00 0.00 H new ATOM 1133 N SER A 76 -4.723 -13.167 -10.229 1.00 0.00 N ATOM 1134 CA SER A 76 -5.228 -12.476 -9.055 1.00 0.00 C ATOM 1135 C SER A 76 -5.803 -11.116 -9.456 1.00 0.00 C ATOM 1136 O SER A 76 -5.653 -10.687 -10.600 1.00 0.00 O ATOM 1137 CB SER A 76 -4.130 -12.299 -8.005 1.00 0.00 C ATOM 1138 OG SER A 76 -2.912 -11.831 -8.578 1.00 0.00 O ATOM 0 H SER A 76 -3.890 -12.749 -10.644 1.00 0.00 H new ATOM 0 HA SER A 76 -6.019 -13.083 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.467 -11.595 -7.244 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.952 -13.250 -7.503 1.00 0.00 H new ATOM 0 HG SER A 76 -2.530 -12.529 -9.149 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.448 -10.474 -8.493 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.046 -9.172 -8.732 1.00 0.00 C ATOM 1146 C LEU A 77 -6.058 -8.296 -9.505 1.00 0.00 C ATOM 1147 O LEU A 77 -6.283 -7.984 -10.674 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.519 -8.550 -7.416 1.00 0.00 C ATOM 1149 CG LEU A 77 -8.945 -8.898 -6.985 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -9.084 -8.855 -5.462 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.964 -7.991 -7.679 1.00 0.00 C ATOM 0 H LEU A 77 -6.569 -10.832 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.938 -9.270 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.836 -8.859 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.440 -7.466 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.157 -9.920 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.107 -9.106 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.399 -9.574 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.845 -7.854 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.970 -8.259 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.764 -6.952 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.885 -8.115 -8.759 1.00 0.00 H new ATOM 1163 N ALA A 78 -4.985 -7.924 -8.822 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.962 -7.091 -9.430 1.00 0.00 C ATOM 1165 C ALA A 78 -3.163 -7.923 -10.435 1.00 0.00 C ATOM 1166 O ALA A 78 -1.949 -8.071 -10.297 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.078 -6.488 -8.337 1.00 0.00 C ATOM 0 H ALA A 78 -4.802 -8.185 -7.853 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.415 -6.263 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.310 -5.863 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.689 -5.882 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.604 -7.289 -7.770 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.876 -8.445 -11.422 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.248 -9.259 -12.449 1.00 0.00 C ATOM 1175 C ASP A 79 -4.245 -9.499 -13.584 1.00 0.00 C ATOM 1176 O ASP A 79 -3.936 -9.254 -14.749 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.828 -10.621 -11.893 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.823 -11.389 -12.753 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.612 -11.138 -12.572 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -2.288 -12.211 -13.572 1.00 0.00 O ATOM 0 H ASP A 79 -4.882 -8.320 -11.532 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.366 -8.728 -12.807 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.398 -10.475 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.719 -11.235 -11.767 1.00 0.00 H new ATOM 1185 N THR A 80 -5.422 -9.975 -13.205 1.00 0.00 N ATOM 1186 CA THR A 80 -6.466 -10.251 -14.176 1.00 0.00 C ATOM 1187 C THR A 80 -7.289 -8.990 -14.447 1.00 0.00 C ATOM 1188 O THR A 80 -7.680 -8.732 -15.585 1.00 0.00 O ATOM 1189 CB THR A 80 -7.302 -11.421 -13.653 1.00 0.00 C ATOM 1190 OG1 THR A 80 -8.000 -10.876 -12.536 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.441 -12.532 -13.049 1.00 0.00 C ATOM 0 H THR A 80 -5.675 -10.177 -12.238 1.00 0.00 H new ATOM 0 HA THR A 80 -6.044 -10.539 -15.139 1.00 0.00 H new ATOM 0 HB THR A 80 -7.903 -11.829 -14.465 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.414 -10.880 -11.751 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.083 -13.337 -12.693 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.761 -12.919 -13.808 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.864 -12.133 -12.215 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.526 -8.237 -13.383 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.295 -7.009 -13.492 1.00 0.00 C ATOM 1201 C VAL A 81 -7.348 -5.810 -13.408 1.00 0.00 C ATOM 1202 O VAL A 81 -7.529 -4.820 -14.116 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.391 -6.981 -12.425 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.470 -8.025 -12.720 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.801 -7.182 -11.028 1.00 0.00 C ATOM 0 H VAL A 81 -7.199 -8.454 -12.441 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.799 -6.959 -14.457 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.860 -5.998 -12.452 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.237 -7.984 -11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.922 -7.817 -13.690 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.021 -9.018 -12.734 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.601 -7.158 -10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.294 -8.146 -10.982 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.087 -6.386 -10.817 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.359 -5.939 -12.536 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.383 -4.878 -12.350 1.00 0.00 C ATOM 1217 C GLY A 82 -4.334 -4.897 -13.464 1.00 0.00 C ATOM 1218 O GLY A 82 -4.000 -3.854 -14.025 1.00 0.00 O ATOM 0 H GLY A 82 -6.212 -6.761 -11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.888 -3.912 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.894 -4.994 -11.383 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.843 -6.094 -13.750 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.838 -6.262 -14.787 1.00 0.00 C ATOM 1224 C HIS A 83 -1.558 -5.526 -14.385 1.00 0.00 C ATOM 1225 O HIS A 83 -0.850 -4.995 -15.239 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.379 -5.813 -16.146 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.596 -6.580 -16.607 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.561 -7.931 -16.906 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.880 -6.172 -16.815 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -5.776 -8.308 -17.278 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.592 -7.216 -17.221 1.00 0.00 N ATOM 0 H HIS A 83 -4.122 -6.956 -13.282 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.591 -7.318 -14.891 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.628 -4.753 -16.094 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.591 -5.919 -16.892 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -3.740 -8.534 -16.850 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.255 -5.169 -16.673 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.069 -9.304 -17.574 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.301 -5.519 -13.086 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.119 -4.857 -12.561 1.00 0.00 C ATOM 1241 C LEU A 84 1.122 -5.673 -12.927 1.00 0.00 C ATOM 1242 O LEU A 84 1.034 -6.637 -13.686 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.268 -4.605 -11.059 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.462 -3.745 -10.639 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -1.002 -2.370 -10.151 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -2.487 -3.639 -11.770 1.00 0.00 C ATOM 0 H LEU A 84 -1.891 -5.961 -12.381 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.000 -3.873 -13.015 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.344 -5.568 -10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.643 -4.128 -10.699 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.958 -4.235 -9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.870 -1.779 -9.859 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.340 -2.491 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.468 -1.859 -10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.325 -3.023 -11.445 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.019 -3.184 -12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.848 -4.635 -12.029 1.00 0.00 H new ATOM 1258 N ARG A 85 2.250 -5.257 -12.370 1.00 0.00 N ATOM 1259 CA ARG A 85 3.508 -5.938 -12.629 1.00 0.00 C ATOM 1260 C ARG A 85 4.525 -5.607 -11.535 1.00 0.00 C ATOM 1261 O ARG A 85 4.477 -4.530 -10.942 1.00 0.00 O ATOM 1262 CB ARG A 85 4.083 -5.535 -13.988 1.00 0.00 C ATOM 1263 CG ARG A 85 3.652 -6.518 -15.079 1.00 0.00 C ATOM 1264 CD ARG A 85 3.139 -5.776 -16.315 1.00 0.00 C ATOM 1265 NE ARG A 85 3.462 -6.546 -17.537 1.00 0.00 N ATOM 1266 CZ ARG A 85 3.494 -6.020 -18.769 1.00 0.00 C ATOM 1267 NH1 ARG A 85 3.224 -4.720 -18.950 1.00 0.00 N ATOM 1268 NH2 ARG A 85 3.797 -6.793 -19.820 1.00 0.00 N ATOM 0 H ARG A 85 2.319 -4.457 -11.741 1.00 0.00 H new ATOM 0 HA ARG A 85 3.310 -7.010 -12.634 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.747 -4.530 -14.245 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.171 -5.503 -13.932 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.494 -7.152 -15.355 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.871 -7.174 -14.694 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.061 -5.631 -16.241 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.591 -4.786 -16.369 1.00 0.00 H new ATOM 0 HE ARG A 85 3.673 -7.539 -17.435 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.994 -4.131 -18.150 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.248 -4.320 -19.888 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.003 -7.782 -19.683 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.821 -6.392 -20.758 1.00 0.00 H new ATOM 1282 N PRO A 86 5.446 -6.579 -11.293 1.00 0.00 N ATOM 1283 CA PRO A 86 6.473 -6.402 -10.281 1.00 0.00 C ATOM 1284 C PRO A 86 7.561 -5.442 -10.766 1.00 0.00 C ATOM 1285 O PRO A 86 8.538 -5.866 -11.381 1.00 0.00 O ATOM 1286 CB PRO A 86 6.996 -7.801 -10.002 1.00 0.00 C ATOM 1287 CG PRO A 86 6.575 -8.648 -11.192 1.00 0.00 C ATOM 1288 CD PRO A 86 5.533 -7.867 -11.975 1.00 0.00 C ATOM 0 HA PRO A 86 6.090 -5.946 -9.368 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.080 -7.797 -9.889 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.580 -8.196 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.435 -8.875 -11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.165 -9.601 -10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.830 -7.744 -13.017 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.571 -8.380 -11.976 1.00 0.00 H new ATOM 1296 N GLY A 87 7.356 -4.167 -10.471 1.00 0.00 N ATOM 1297 CA GLY A 87 8.307 -3.144 -10.870 1.00 0.00 C ATOM 1298 C GLY A 87 7.705 -1.746 -10.719 1.00 0.00 C ATOM 1299 O GLY A 87 8.396 -0.806 -10.329 1.00 0.00 O ATOM 0 H GLY A 87 6.545 -3.819 -9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.208 -3.223 -10.262 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.606 -3.305 -11.906 1.00 0.00 H new ATOM 1303 N ASP A 88 6.421 -1.652 -11.035 1.00 0.00 N ATOM 1304 CA ASP A 88 5.718 -0.385 -10.940 1.00 0.00 C ATOM 1305 C ASP A 88 5.969 0.231 -9.563 1.00 0.00 C ATOM 1306 O ASP A 88 6.670 -0.352 -8.737 1.00 0.00 O ATOM 1307 CB ASP A 88 4.209 -0.579 -11.103 1.00 0.00 C ATOM 1308 CG ASP A 88 3.666 -0.285 -12.503 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.309 0.529 -13.201 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.621 -0.880 -12.843 1.00 0.00 O ATOM 0 H ASP A 88 5.850 -2.433 -11.357 1.00 0.00 H new ATOM 0 HA ASP A 88 6.086 0.265 -11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.960 -1.608 -10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.696 0.065 -10.388 1.00 0.00 H new ATOM 1315 N GLU A 89 5.384 1.402 -9.357 1.00 0.00 N ATOM 1316 CA GLU A 89 5.536 2.103 -8.094 1.00 0.00 C ATOM 1317 C GLU A 89 4.192 2.675 -7.639 1.00 0.00 C ATOM 1318 O GLU A 89 3.758 3.716 -8.131 1.00 0.00 O ATOM 1319 CB GLU A 89 6.592 3.205 -8.202 1.00 0.00 C ATOM 1320 CG GLU A 89 6.753 3.943 -6.871 1.00 0.00 C ATOM 1321 CD GLU A 89 7.660 5.165 -7.028 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.584 5.794 -8.105 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.410 5.442 -6.067 1.00 0.00 O ATOM 0 H GLU A 89 4.804 1.883 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 89 5.878 1.390 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.547 2.771 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.307 3.912 -8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.775 4.256 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.172 3.268 -6.125 1.00 0.00 H new ATOM 1330 N VAL A 90 3.570 1.970 -6.706 1.00 0.00 N ATOM 1331 CA VAL A 90 2.284 2.395 -6.180 1.00 0.00 C ATOM 1332 C VAL A 90 2.491 3.579 -5.234 1.00 0.00 C ATOM 1333 O VAL A 90 3.247 3.482 -4.268 1.00 0.00 O ATOM 1334 CB VAL A 90 1.575 1.213 -5.513 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.425 0.634 -4.380 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.190 1.620 -5.007 1.00 0.00 C ATOM 0 H VAL A 90 3.933 1.107 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 90 1.634 2.734 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 90 1.441 0.434 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.899 -0.204 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.379 0.289 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.603 1.404 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.292 0.763 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.291 2.424 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.417 1.964 -5.845 1.00 0.00 H new ATOM 1346 N LEU A 91 1.805 4.670 -5.544 1.00 0.00 N ATOM 1347 CA LEU A 91 1.904 5.872 -4.733 1.00 0.00 C ATOM 1348 C LEU A 91 0.814 5.849 -3.660 1.00 0.00 C ATOM 1349 O LEU A 91 1.104 5.981 -2.472 1.00 0.00 O ATOM 1350 CB LEU A 91 1.871 7.119 -5.618 1.00 0.00 C ATOM 1351 CG LEU A 91 2.876 7.151 -6.771 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.754 8.450 -7.570 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.301 6.922 -6.262 1.00 0.00 C ATOM 0 H LEU A 91 1.179 4.747 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 91 2.862 5.904 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.868 7.219 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.043 7.992 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 91 2.641 6.332 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.480 8.446 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.748 8.531 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.947 9.300 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.996 6.949 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.563 7.704 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.361 5.950 -5.773 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.419 5.682 -4.118 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.554 5.641 -3.212 1.00 0.00 C ATOM 1367 C GLU A 92 -2.158 4.236 -3.181 1.00 0.00 C ATOM 1368 O GLU A 92 -1.941 3.443 -4.096 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.606 6.681 -3.604 1.00 0.00 C ATOM 1370 CG GLU A 92 -2.096 8.100 -3.345 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.872 9.122 -4.178 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -2.713 9.082 -5.418 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -3.607 9.920 -3.558 1.00 0.00 O ATOM 0 H GLU A 92 -0.656 5.574 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.203 5.887 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.859 6.568 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.521 6.510 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.195 8.338 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.035 8.159 -3.587 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.904 3.970 -2.119 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.540 2.674 -1.957 1.00 0.00 C ATOM 1382 C TRP A 93 -4.915 2.898 -1.323 1.00 0.00 C ATOM 1383 O TRP A 93 -5.039 2.939 -0.100 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.655 1.726 -1.145 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.292 0.362 -0.870 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.232 0.059 0.037 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.997 -0.877 -1.547 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.562 -1.281 -0.006 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.787 -1.868 -1.000 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.092 -1.153 -2.587 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.752 -3.200 -1.428 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.069 -2.489 -3.004 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.857 -3.498 -2.464 1.00 0.00 C ATOM 0 H TRP A 93 -3.082 4.630 -1.362 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.677 2.188 -2.923 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.716 1.576 -1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.410 2.199 -0.194 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.675 0.773 0.715 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.248 -1.753 0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.464 -0.394 -3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.381 -3.957 -0.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.391 -2.754 -3.802 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.780 -4.507 -2.841 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.912 3.038 -2.184 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.273 3.257 -1.724 1.00 0.00 C ATOM 1406 C ASN A 94 -7.427 4.712 -1.276 1.00 0.00 C ATOM 1407 O ASN A 94 -8.406 5.063 -0.620 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.602 2.358 -0.530 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.943 1.650 -0.730 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.728 1.986 -1.601 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -9.161 0.653 0.122 1.00 0.00 N ATOM 0 H ASN A 94 -5.805 3.004 -3.198 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.949 3.025 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.812 1.618 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.634 2.955 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.028 0.118 0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.462 0.423 0.828 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.446 5.520 -1.650 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.460 6.929 -1.295 1.00 0.00 C ATOM 1420 C GLY A 95 -5.367 7.248 -0.274 1.00 0.00 C ATOM 1421 O GLY A 95 -5.093 8.415 0.003 1.00 0.00 O ATOM 0 H GLY A 95 -5.636 5.226 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.315 7.535 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.434 7.195 -0.885 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.771 6.191 0.258 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.714 6.345 1.243 1.00 0.00 C ATOM 1427 C ARG A 96 -2.362 6.519 0.547 1.00 0.00 C ATOM 1428 O ARG A 96 -1.916 5.635 -0.181 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.648 5.132 2.173 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.518 5.345 3.414 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.673 5.805 4.604 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.078 7.168 5.015 1.00 0.00 N ATOM 1433 CZ ARG A 96 -5.142 7.435 5.784 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -5.916 6.436 6.229 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -5.433 8.703 6.107 1.00 0.00 N ATOM 0 H ARG A 96 -5.000 5.225 0.026 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.939 7.232 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.981 4.242 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.615 4.956 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.287 6.088 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.032 4.417 3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.796 5.113 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.617 5.796 4.336 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.512 7.953 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.695 5.471 5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.726 6.640 6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.845 9.464 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.243 8.907 6.692 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.748 7.667 0.797 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.456 7.969 0.204 1.00 0.00 C ATOM 1451 C LEU A 97 0.610 7.067 0.830 1.00 0.00 C ATOM 1452 O LEU A 97 0.689 6.948 2.051 1.00 0.00 O ATOM 1453 CB LEU A 97 -0.147 9.462 0.325 1.00 0.00 C ATOM 1454 CG LEU A 97 1.185 9.922 -0.271 1.00 0.00 C ATOM 1455 CD1 LEU A 97 0.971 10.630 -1.610 1.00 0.00 C ATOM 1456 CD2 LEU A 97 1.958 10.794 0.721 1.00 0.00 C ATOM 0 H LEU A 97 -2.121 8.399 1.402 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.467 7.756 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.950 10.019 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.162 9.731 1.381 1.00 0.00 H new ATOM 0 HG LEU A 97 1.794 9.040 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.933 10.947 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.492 9.946 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.334 11.502 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.901 11.107 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.365 11.674 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.160 10.223 1.627 1.00 0.00 H new ATOM 1468 N LEU A 98 1.405 6.456 -0.037 1.00 0.00 N ATOM 1469 CA LEU A 98 2.464 5.570 0.416 1.00 0.00 C ATOM 1470 C LEU A 98 3.786 6.339 0.455 1.00 0.00 C ATOM 1471 O LEU A 98 4.709 5.957 1.172 1.00 0.00 O ATOM 1472 CB LEU A 98 2.512 4.309 -0.449 1.00 0.00 C ATOM 1473 CG LEU A 98 1.186 3.568 -0.630 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.397 2.233 -1.347 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.469 3.392 0.710 1.00 0.00 C ATOM 0 H LEU A 98 1.337 6.557 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 98 2.265 5.227 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.890 4.583 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.234 3.619 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 98 0.539 4.175 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.439 1.727 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.834 2.413 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.069 1.607 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.471 2.862 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.100 2.818 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.266 4.370 1.145 1.00 0.00 H new ATOM 1487 N GLN A 99 3.834 7.410 -0.323 1.00 0.00 N ATOM 1488 CA GLN A 99 5.027 8.237 -0.386 1.00 0.00 C ATOM 1489 C GLN A 99 5.396 8.743 1.010 1.00 0.00 C ATOM 1490 O GLN A 99 4.629 9.478 1.630 1.00 0.00 O ATOM 1491 CB GLN A 99 4.836 9.402 -1.359 1.00 0.00 C ATOM 1492 CG GLN A 99 5.381 9.053 -2.746 1.00 0.00 C ATOM 1493 CD GLN A 99 5.649 10.318 -3.564 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.443 10.172 -4.869 1.00 0.00 O flip ATOM 1495 NE2 GLN A 99 6.018 11.358 -3.044 1.00 0.00 N flip ATOM 0 H GLN A 99 3.066 7.724 -0.915 1.00 0.00 H new ATOM 0 HA GLN A 99 5.849 7.627 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.777 9.650 -1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.345 10.287 -0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.302 8.479 -2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.667 8.420 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.157 11.402 -2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.187 12.184 -3.619 1.00 0.00 H new ATOM 1504 N GLY A 100 6.570 8.329 1.463 1.00 0.00 N ATOM 1505 CA GLY A 100 7.050 8.732 2.774 1.00 0.00 C ATOM 1506 C GLY A 100 6.715 7.675 3.829 1.00 0.00 C ATOM 1507 O GLY A 100 7.454 7.503 4.797 1.00 0.00 O ATOM 0 H GLY A 100 7.203 7.719 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.128 8.887 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.600 9.685 3.053 1.00 0.00 H new ATOM 1511 N ALA A 101 5.601 6.994 3.605 1.00 0.00 N ATOM 1512 CA ALA A 101 5.159 5.959 4.524 1.00 0.00 C ATOM 1513 C ALA A 101 6.230 4.870 4.611 1.00 0.00 C ATOM 1514 O ALA A 101 6.881 4.554 3.617 1.00 0.00 O ATOM 1515 CB ALA A 101 3.806 5.412 4.065 1.00 0.00 C ATOM 0 H ALA A 101 4.991 7.139 2.800 1.00 0.00 H new ATOM 0 HA ALA A 101 5.022 6.367 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.475 4.636 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.074 6.219 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.904 4.991 3.064 1.00 0.00 H new ATOM 1521 N THR A 102 6.378 4.325 5.810 1.00 0.00 N ATOM 1522 CA THR A 102 7.358 3.277 6.039 1.00 0.00 C ATOM 1523 C THR A 102 6.809 1.924 5.585 1.00 0.00 C ATOM 1524 O THR A 102 5.613 1.789 5.329 1.00 0.00 O ATOM 1525 CB THR A 102 7.747 3.310 7.519 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.688 2.614 8.171 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.686 4.720 8.110 1.00 0.00 C ATOM 0 H THR A 102 5.836 4.589 6.633 1.00 0.00 H new ATOM 0 HA THR A 102 8.258 3.441 5.447 1.00 0.00 H new ATOM 0 HB THR A 102 8.754 2.910 7.639 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.860 2.586 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.971 4.686 9.161 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.372 5.371 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.671 5.108 8.022 1.00 0.00 H new ATOM 1535 N PHE A 103 7.708 0.955 5.499 1.00 0.00 N ATOM 1536 CA PHE A 103 7.329 -0.384 5.080 1.00 0.00 C ATOM 1537 C PHE A 103 6.063 -0.847 5.805 1.00 0.00 C ATOM 1538 O PHE A 103 5.137 -1.359 5.178 1.00 0.00 O ATOM 1539 CB PHE A 103 8.485 -1.314 5.453 1.00 0.00 C ATOM 1540 CG PHE A 103 8.209 -2.793 5.172 1.00 0.00 C ATOM 1541 CD1 PHE A 103 7.448 -3.518 6.035 1.00 0.00 C ATOM 1542 CD2 PHE A 103 8.725 -3.381 4.060 1.00 0.00 C ATOM 1543 CE1 PHE A 103 7.192 -4.890 5.774 1.00 0.00 C ATOM 1544 CE2 PHE A 103 8.469 -4.754 3.800 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.708 -5.479 4.662 1.00 0.00 C ATOM 0 H PHE A 103 8.699 1.070 5.712 1.00 0.00 H new ATOM 0 HA PHE A 103 7.127 -0.396 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.375 -1.010 4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.709 -1.192 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.039 -3.050 6.918 1.00 0.00 H new ATOM 0 HD2 PHE A 103 9.329 -2.805 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.587 -5.466 6.459 1.00 0.00 H new ATOM 0 HE2 PHE A 103 8.879 -5.222 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.513 -6.523 4.464 1.00 0.00 H new ATOM 1555 N GLU A 104 6.065 -0.650 7.115 1.00 0.00 N ATOM 1556 CA GLU A 104 4.928 -1.041 7.932 1.00 0.00 C ATOM 1557 C GLU A 104 3.691 -0.231 7.542 1.00 0.00 C ATOM 1558 O GLU A 104 2.645 -0.799 7.231 1.00 0.00 O ATOM 1559 CB GLU A 104 5.242 -0.881 9.421 1.00 0.00 C ATOM 1560 CG GLU A 104 6.098 -2.043 9.929 1.00 0.00 C ATOM 1561 CD GLU A 104 6.783 -1.683 11.249 1.00 0.00 C ATOM 1562 OE1 GLU A 104 6.098 -1.787 12.290 1.00 0.00 O ATOM 1563 OE2 GLU A 104 7.975 -1.313 11.188 1.00 0.00 O ATOM 0 H GLU A 104 6.835 -0.225 7.631 1.00 0.00 H new ATOM 0 HA GLU A 104 4.720 -2.095 7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.766 0.061 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.313 -0.833 9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.474 -2.926 10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.850 -2.299 9.183 1.00 0.00 H new ATOM 1570 N GLU A 105 3.850 1.084 7.572 1.00 0.00 N ATOM 1571 CA GLU A 105 2.758 1.978 7.226 1.00 0.00 C ATOM 1572 C GLU A 105 2.096 1.528 5.923 1.00 0.00 C ATOM 1573 O GLU A 105 0.890 1.288 5.885 1.00 0.00 O ATOM 1574 CB GLU A 105 3.247 3.425 7.122 1.00 0.00 C ATOM 1575 CG GLU A 105 3.156 4.133 8.475 1.00 0.00 C ATOM 1576 CD GLU A 105 3.273 5.649 8.309 1.00 0.00 C ATOM 1577 OE1 GLU A 105 2.406 6.211 7.606 1.00 0.00 O ATOM 1578 OE2 GLU A 105 4.226 6.212 8.890 1.00 0.00 O ATOM 0 H GLU A 105 4.719 1.552 7.831 1.00 0.00 H new ATOM 0 HA GLU A 105 2.014 1.936 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.278 3.440 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.650 3.962 6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.208 3.888 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.948 3.773 9.132 1.00 0.00 H new ATOM 1585 N VAL A 106 2.914 1.426 4.885 1.00 0.00 N ATOM 1586 CA VAL A 106 2.423 1.009 3.583 1.00 0.00 C ATOM 1587 C VAL A 106 1.616 -0.282 3.737 1.00 0.00 C ATOM 1588 O VAL A 106 0.481 -0.368 3.271 1.00 0.00 O ATOM 1589 CB VAL A 106 3.590 0.871 2.603 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.115 0.310 1.261 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.309 2.208 2.415 1.00 0.00 C ATOM 0 H VAL A 106 3.914 1.625 4.920 1.00 0.00 H new ATOM 0 HA VAL A 106 1.755 1.763 3.167 1.00 0.00 H new ATOM 0 HB VAL A 106 4.303 0.164 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.964 0.222 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.670 -0.673 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.373 0.981 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.134 2.082 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.609 2.946 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.697 2.550 3.374 1.00 0.00 H new ATOM 1601 N TYR A 107 2.234 -1.254 4.393 1.00 0.00 N ATOM 1602 CA TYR A 107 1.587 -2.536 4.614 1.00 0.00 C ATOM 1603 C TYR A 107 0.282 -2.365 5.395 1.00 0.00 C ATOM 1604 O TYR A 107 -0.785 -2.747 4.918 1.00 0.00 O ATOM 1605 CB TYR A 107 2.564 -3.362 5.453 1.00 0.00 C ATOM 1606 CG TYR A 107 2.053 -4.760 5.806 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.012 -4.909 6.699 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.635 -5.873 5.232 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.531 -6.225 7.032 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.154 -7.189 5.565 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.126 -7.300 6.448 1.00 0.00 C ATOM 1612 OH TYR A 107 0.672 -8.543 6.762 1.00 0.00 O ATOM 0 H TYR A 107 3.175 -1.179 4.778 1.00 0.00 H new ATOM 0 HA TYR A 107 1.345 -3.012 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.504 -3.456 4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.782 -2.822 6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.558 -4.038 7.149 1.00 0.00 H new ATOM 0 HD2 TYR A 107 3.451 -5.757 4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.283 -6.355 7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 107 2.600 -8.068 5.123 1.00 0.00 H new ATOM 0 HH TYR A 107 1.189 -9.214 6.270 1.00 0.00 H new ATOM 1622 N ASN A 108 0.411 -1.789 6.581 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.745 -1.562 7.432 1.00 0.00 C ATOM 1624 C ASN A 108 -1.924 -1.102 6.572 1.00 0.00 C ATOM 1625 O ASN A 108 -3.029 -1.628 6.695 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.461 -0.472 8.468 1.00 0.00 C ATOM 1627 CG ASN A 108 0.196 -1.061 9.718 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.153 -2.132 10.188 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.163 -0.304 10.228 1.00 0.00 N ATOM 0 H ASN A 108 1.298 -1.473 6.973 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.974 -2.496 7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.190 0.287 8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.391 0.026 8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.663 -0.609 11.063 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.405 0.582 9.784 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.648 -0.125 5.721 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.672 0.412 4.841 1.00 0.00 C ATOM 1638 C ILE A 109 -3.359 -0.739 4.104 1.00 0.00 C ATOM 1639 O ILE A 109 -4.577 -0.893 4.185 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.077 1.470 3.910 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.514 2.649 4.708 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.102 1.921 2.867 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.397 3.351 3.933 1.00 0.00 C ATOM 0 H ILE A 109 -0.730 0.309 5.622 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.441 0.925 5.419 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.244 1.020 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.312 3.359 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.131 2.295 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.654 2.673 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.413 1.065 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.970 2.347 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.014 4.185 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.410 2.644 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.790 3.725 2.987 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.549 -1.518 3.402 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.065 -2.650 2.651 1.00 0.00 C ATOM 1657 C ILE A 110 -3.837 -3.573 3.595 1.00 0.00 C ATOM 1658 O ILE A 110 -4.704 -4.329 3.158 1.00 0.00 O ATOM 1659 CB ILE A 110 -1.934 -3.350 1.895 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.427 -2.483 0.740 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.369 -4.738 1.420 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.101 -2.400 0.747 1.00 0.00 C ATOM 0 H ILE A 110 -1.539 -1.388 3.337 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.768 -2.314 1.888 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.100 -3.491 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.768 -2.898 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.850 -1.481 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.547 -5.214 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.643 -5.348 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.227 -4.642 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.435 -1.778 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.437 -1.962 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.520 -3.401 0.643 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.495 -3.482 4.872 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.145 -4.300 5.881 1.00 0.00 C ATOM 1676 C LEU A 111 -5.454 -3.632 6.307 1.00 0.00 C ATOM 1677 O LEU A 111 -6.376 -4.303 6.768 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.190 -4.578 7.043 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.845 -4.873 8.394 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.288 -6.335 8.480 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -2.919 -4.486 9.549 1.00 0.00 C ATOM 0 H LEU A 111 -2.776 -2.854 5.231 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.403 -5.276 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.560 -5.426 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.532 -3.717 7.161 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.741 -4.259 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.750 -6.519 9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -5.008 -6.544 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.421 -6.985 8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.409 -4.706 10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.992 -5.055 9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.695 -3.421 9.495 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.493 -2.319 6.137 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.674 -1.552 6.499 1.00 0.00 C ATOM 1695 C GLU A 112 -7.715 -1.623 5.380 1.00 0.00 C ATOM 1696 O GLU A 112 -8.891 -1.337 5.603 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.309 -0.101 6.816 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.745 0.025 8.233 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.533 1.053 9.048 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -6.265 2.258 8.853 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -7.386 0.610 9.847 1.00 0.00 O ATOM 0 H GLU A 112 -4.726 -1.766 5.754 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.106 -1.989 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.575 0.259 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.192 0.530 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.782 -0.944 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.697 0.319 8.186 1.00 0.00 H new ATOM 1708 N SER A 113 -7.247 -2.006 4.202 1.00 0.00 N ATOM 1709 CA SER A 113 -8.123 -2.119 3.048 1.00 0.00 C ATOM 1710 C SER A 113 -8.609 -3.562 2.899 1.00 0.00 C ATOM 1711 O SER A 113 -9.249 -3.906 1.906 1.00 0.00 O ATOM 1712 CB SER A 113 -7.414 -1.663 1.771 1.00 0.00 C ATOM 1713 OG SER A 113 -6.382 -2.566 1.382 1.00 0.00 O ATOM 0 H SER A 113 -6.271 -2.242 4.021 1.00 0.00 H new ATOM 0 HA SER A 113 -8.982 -1.467 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.142 -1.575 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.989 -0.672 1.927 1.00 0.00 H new ATOM 0 HG SER A 113 -6.023 -3.014 2.176 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.287 -4.367 3.901 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.684 -5.765 3.893 1.00 0.00 C ATOM 1721 C LYS A 114 -10.208 -5.859 3.801 1.00 0.00 C ATOM 1722 O LYS A 114 -10.740 -6.559 2.941 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.095 -6.495 5.102 1.00 0.00 C ATOM 1724 CG LYS A 114 -7.467 -7.827 4.687 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.138 -8.056 5.409 1.00 0.00 C ATOM 1726 CE LYS A 114 -6.213 -9.282 6.320 1.00 0.00 C ATOM 1727 NZ LYS A 114 -4.896 -9.954 6.395 1.00 0.00 N ATOM 0 H LYS A 114 -7.756 -4.078 4.723 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.280 -6.270 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.342 -5.867 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.877 -6.672 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.153 -8.643 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.306 -7.837 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.341 -8.190 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.884 -7.175 5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.532 -8.982 7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.962 -9.978 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.965 -10.784 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.607 -10.258 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.190 -9.293 6.777 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.886 -5.123 4.723 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.338 -5.116 4.753 1.00 0.00 C ATOM 1743 C PRO A 115 -12.907 -4.272 3.611 1.00 0.00 C ATOM 1744 O PRO A 115 -13.995 -4.551 3.110 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.700 -4.577 6.128 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.456 -3.869 6.639 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.289 -4.282 5.757 1.00 0.00 C ATOM 0 HA PRO A 115 -12.766 -6.107 4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.544 -3.890 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.993 -5.384 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.593 -2.788 6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.263 -4.138 7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.793 -3.413 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.536 -4.828 6.326 1.00 0.00 H new ATOM 1755 N GLU A 116 -12.145 -3.256 3.233 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.559 -2.369 2.160 1.00 0.00 C ATOM 1757 C GLU A 116 -13.218 -3.169 1.034 1.00 0.00 C ATOM 1758 O GLU A 116 -12.831 -4.306 0.767 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.375 -1.555 1.633 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.418 -0.120 2.162 1.00 0.00 C ATOM 1761 CD GLU A 116 -12.058 0.822 1.140 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.801 0.611 -0.065 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -12.789 1.731 1.588 1.00 0.00 O ATOM 0 H GLU A 116 -11.243 -3.028 3.651 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.292 -1.667 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.441 -2.029 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.392 -1.545 0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.982 -0.089 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.407 0.218 2.390 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.230 -2.528 0.389 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.946 -3.168 -0.701 1.00 0.00 C ATOM 1772 C PRO A 117 -14.100 -3.189 -1.975 1.00 0.00 C ATOM 1773 O PRO A 117 -14.191 -4.125 -2.769 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.229 -2.366 -0.853 1.00 0.00 C ATOM 1775 CG PRO A 117 -15.973 -1.037 -0.162 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.716 -1.182 0.679 1.00 0.00 C ATOM 0 HA PRO A 117 -15.168 -4.216 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.475 -2.219 -1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -17.072 -2.887 -0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.850 -0.242 -0.898 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.822 -0.763 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.974 -0.428 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.933 -1.059 1.740 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.297 -2.147 -2.132 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.435 -2.035 -3.296 1.00 0.00 C ATOM 1786 C GLN A 118 -11.039 -1.568 -2.880 1.00 0.00 C ATOM 1787 O GLN A 118 -10.786 -1.329 -1.701 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.041 -1.091 -4.337 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.176 0.327 -3.779 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.450 1.000 -4.294 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.437 1.258 -5.598 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -15.383 1.268 -3.555 1.00 0.00 N flip ATOM 0 H GLN A 118 -13.225 -1.373 -1.472 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.346 -3.020 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.414 -1.077 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.020 -1.460 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.193 0.293 -2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.307 0.919 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -15.328 1.042 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.218 1.718 -3.930 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.168 -1.453 -3.873 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.804 -1.020 -3.624 1.00 0.00 C ATOM 1803 C VAL A 119 -8.299 -0.225 -4.830 1.00 0.00 C ATOM 1804 O VAL A 119 -8.046 -0.793 -5.891 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.924 -2.227 -3.293 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.530 -1.782 -2.844 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.584 -3.113 -2.234 1.00 0.00 C ATOM 0 H VAL A 119 -10.381 -1.652 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.765 -0.359 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.811 -2.819 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.924 -2.659 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.055 -1.212 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.616 -1.158 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.938 -3.964 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.742 -2.535 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.543 -3.472 -2.606 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.166 1.078 -4.626 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.695 1.956 -5.683 1.00 0.00 C ATOM 1819 C GLU A 120 -6.175 2.112 -5.606 1.00 0.00 C ATOM 1820 O GLU A 120 -5.642 2.538 -4.583 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.390 3.318 -5.614 1.00 0.00 C ATOM 1822 CG GLU A 120 -7.820 4.278 -6.659 1.00 0.00 C ATOM 1823 CD GLU A 120 -7.597 5.669 -6.062 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -6.881 5.741 -5.041 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -8.149 6.630 -6.641 1.00 0.00 O ATOM 0 H GLU A 120 -8.376 1.546 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.946 1.504 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.461 3.193 -5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.266 3.743 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.877 3.887 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.503 4.347 -7.506 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.520 1.759 -6.703 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.072 1.854 -6.772 1.00 0.00 C ATOM 1834 C LEU A 121 -3.685 3.045 -7.651 1.00 0.00 C ATOM 1835 O LEU A 121 -4.499 3.535 -8.432 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.470 0.526 -7.237 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.727 -0.680 -6.332 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -2.669 -1.764 -6.548 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -3.821 -0.255 -4.865 1.00 0.00 C ATOM 0 H LEU A 121 -5.966 1.407 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.654 2.038 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.861 0.300 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.393 0.655 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.690 -1.112 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.876 -2.610 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.694 -2.095 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.683 -1.360 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.004 -1.131 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.886 0.216 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.640 0.454 -4.743 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.443 3.477 -7.493 1.00 0.00 N ATOM 1852 CA VAL A 122 -1.938 4.602 -8.262 1.00 0.00 C ATOM 1853 C VAL A 122 -0.438 4.418 -8.502 1.00 0.00 C ATOM 1854 O VAL A 122 0.370 4.652 -7.606 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.274 5.915 -7.551 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.118 7.106 -8.498 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -3.681 5.870 -6.953 1.00 0.00 C ATOM 0 H VAL A 122 -1.771 3.068 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.420 4.645 -9.239 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.566 6.044 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.363 8.027 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.089 7.155 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.791 6.986 -9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.895 6.815 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.409 5.707 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.744 5.056 -6.231 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.113 4.001 -9.717 1.00 0.00 N ATOM 1868 CA VAL A 123 1.276 3.784 -10.086 1.00 0.00 C ATOM 1869 C VAL A 123 1.716 4.875 -11.064 1.00 0.00 C ATOM 1870 O VAL A 123 0.932 5.313 -11.905 1.00 0.00 O ATOM 1871 CB VAL A 123 1.453 2.371 -10.646 1.00 0.00 C ATOM 1872 CG1 VAL A 123 1.855 1.390 -9.543 1.00 0.00 C ATOM 1873 CG2 VAL A 123 0.185 1.902 -11.362 1.00 0.00 C ATOM 0 H VAL A 123 -0.787 3.808 -10.458 1.00 0.00 H new ATOM 0 HA VAL A 123 1.920 3.855 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 123 2.260 2.400 -11.378 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.974 0.393 -9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.797 1.710 -9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.080 1.367 -8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.338 0.895 -11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.649 1.897 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.039 2.579 -12.187 1.00 0.00 H new ATOM 1883 N SER A 124 2.969 5.281 -10.923 1.00 0.00 N ATOM 1884 CA SER A 124 3.523 6.313 -11.784 1.00 0.00 C ATOM 1885 C SER A 124 4.663 5.735 -12.625 1.00 0.00 C ATOM 1886 O SER A 124 5.676 5.294 -12.085 1.00 0.00 O ATOM 1887 CB SER A 124 4.019 7.506 -10.965 1.00 0.00 C ATOM 1888 OG SER A 124 4.426 8.591 -11.795 1.00 0.00 O ATOM 0 H SER A 124 3.617 4.914 -10.226 1.00 0.00 H new ATOM 0 HA SER A 124 2.733 6.666 -12.447 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.227 7.840 -10.294 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.856 7.194 -10.340 1.00 0.00 H new ATOM 0 HG SER A 124 4.734 9.334 -11.235 1.00 0.00 H new ATOM 1894 N ARG A 125 4.460 5.758 -13.934 1.00 0.00 N ATOM 1895 CA ARG A 125 5.458 5.242 -14.855 1.00 0.00 C ATOM 1896 C ARG A 125 6.234 6.395 -15.497 1.00 0.00 C ATOM 1897 O ARG A 125 5.800 7.544 -15.446 1.00 0.00 O ATOM 1898 CB ARG A 125 4.810 4.399 -15.955 1.00 0.00 C ATOM 1899 CG ARG A 125 5.521 3.052 -16.103 1.00 0.00 C ATOM 1900 CD ARG A 125 4.627 2.036 -16.818 1.00 0.00 C ATOM 1901 NE ARG A 125 4.706 0.725 -16.136 1.00 0.00 N ATOM 1902 CZ ARG A 125 5.696 -0.159 -16.319 1.00 0.00 C ATOM 1903 NH1 ARG A 125 6.697 0.122 -17.165 1.00 0.00 N ATOM 1904 NH2 ARG A 125 5.685 -1.324 -15.658 1.00 0.00 N ATOM 0 H ARG A 125 3.619 6.126 -14.379 1.00 0.00 H new ATOM 0 HA ARG A 125 6.141 4.612 -14.285 1.00 0.00 H new ATOM 0 HB2 ARG A 125 3.758 4.235 -15.721 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.846 4.939 -16.901 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.447 3.185 -16.663 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.795 2.671 -15.119 1.00 0.00 H new ATOM 0 HD2 ARG A 125 3.596 2.389 -16.827 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.938 1.934 -17.858 1.00 0.00 H new ATOM 0 HE ARG A 125 3.960 0.479 -15.486 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.705 1.009 -17.669 1.00 0.00 H new ATOM 0 HH12 ARG A 125 7.451 -0.551 -17.305 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.923 -1.538 -15.015 1.00 0.00 H new ATOM 0 HH22 ARG A 125 6.439 -1.997 -15.798 1.00 0.00 H new ATOM 1918 N SER A 126 7.369 6.047 -16.085 1.00 0.00 N ATOM 1919 CA SER A 126 8.209 7.037 -16.736 1.00 0.00 C ATOM 1920 C SER A 126 8.014 6.975 -18.252 1.00 0.00 C ATOM 1921 O SER A 126 8.212 5.927 -18.864 1.00 0.00 O ATOM 1922 CB SER A 126 9.683 6.828 -16.381 1.00 0.00 C ATOM 1923 OG SER A 126 10.519 6.863 -17.535 1.00 0.00 O ATOM 0 H SER A 126 7.727 5.093 -16.124 1.00 0.00 H new ATOM 0 HA SER A 126 7.913 8.024 -16.379 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.000 7.600 -15.680 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.802 5.870 -15.876 1.00 0.00 H new ATOM 0 HG SER A 126 11.452 6.727 -17.267 1.00 0.00 H new ATOM 1929 N GLY A 127 7.627 8.111 -18.814 1.00 0.00 N ATOM 1930 CA GLY A 127 7.403 8.199 -20.247 1.00 0.00 C ATOM 1931 C GLY A 127 8.571 8.901 -20.943 1.00 0.00 C ATOM 1932 O GLY A 127 9.564 9.243 -20.303 1.00 0.00 O ATOM 0 H GLY A 127 7.463 8.978 -18.303 1.00 0.00 H new ATOM 0 HA2 GLY A 127 7.277 7.199 -20.661 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.479 8.743 -20.441 1.00 0.00 H new ATOM 1936 N PRO A 128 8.408 9.100 -22.278 1.00 0.00 N ATOM 1937 CA PRO A 128 9.437 9.755 -23.068 1.00 0.00 C ATOM 1938 C PRO A 128 9.450 11.263 -22.809 1.00 0.00 C ATOM 1939 O PRO A 128 8.395 11.884 -22.684 1.00 0.00 O ATOM 1940 CB PRO A 128 9.110 9.403 -24.510 1.00 0.00 C ATOM 1941 CG PRO A 128 7.657 8.955 -24.511 1.00 0.00 C ATOM 1942 CD PRO A 128 7.245 8.709 -23.069 1.00 0.00 C ATOM 0 HA PRO A 128 10.442 9.422 -22.809 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.254 10.263 -25.164 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.763 8.611 -24.876 1.00 0.00 H new ATOM 0 HG2 PRO A 128 7.023 9.717 -24.965 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.538 8.047 -25.102 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.368 9.299 -22.802 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.988 7.663 -22.904 1.00 0.00 H new ATOM 1950 N SER A 129 10.655 11.809 -22.737 1.00 0.00 N ATOM 1951 CA SER A 129 10.819 13.232 -22.496 1.00 0.00 C ATOM 1952 C SER A 129 12.114 13.727 -23.143 1.00 0.00 C ATOM 1953 O SER A 129 12.099 14.678 -23.922 1.00 0.00 O ATOM 1954 CB SER A 129 10.823 13.539 -20.997 1.00 0.00 C ATOM 1955 OG SER A 129 11.288 14.859 -20.724 1.00 0.00 O ATOM 0 H SER A 129 11.527 11.291 -22.841 1.00 0.00 H new ATOM 0 HA SER A 129 9.974 13.755 -22.945 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.815 13.420 -20.600 1.00 0.00 H new ATOM 0 HB3 SER A 129 11.456 12.817 -20.481 1.00 0.00 H new ATOM 0 HG SER A 129 10.871 15.189 -19.901 1.00 0.00 H new ATOM 1961 N SER A 130 13.204 13.059 -22.796 1.00 0.00 N ATOM 1962 CA SER A 130 14.505 13.419 -23.333 1.00 0.00 C ATOM 1963 C SER A 130 15.479 12.249 -23.175 1.00 0.00 C ATOM 1964 O SER A 130 16.206 12.171 -22.186 1.00 0.00 O ATOM 1965 CB SER A 130 15.060 14.667 -22.644 1.00 0.00 C ATOM 1966 OG SER A 130 15.093 14.524 -21.226 1.00 0.00 O ATOM 0 H SER A 130 13.213 12.270 -22.149 1.00 0.00 H new ATOM 0 HA SER A 130 14.386 13.644 -24.393 1.00 0.00 H new ATOM 0 HB2 SER A 130 16.066 14.867 -23.012 1.00 0.00 H new ATOM 0 HB3 SER A 130 14.447 15.529 -22.907 1.00 0.00 H new ATOM 0 HG SER A 130 15.487 13.657 -20.994 1.00 0.00 H new ATOM 1972 N GLY A 131 15.461 11.368 -24.165 1.00 0.00 N ATOM 1973 CA GLY A 131 16.333 10.206 -24.148 1.00 0.00 C ATOM 1974 C GLY A 131 17.739 10.582 -23.678 1.00 0.00 C ATOM 1975 O GLY A 131 18.082 10.385 -22.513 1.00 0.00 O ATOM 0 H GLY A 131 14.856 11.436 -24.984 1.00 0.00 H new ATOM 0 HA2 GLY A 131 15.917 9.444 -23.489 1.00 0.00 H new ATOM 0 HA3 GLY A 131 16.384 9.770 -25.146 1.00 0.00 H new TER 1979 GLY A 131