USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 992 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 43 HIS : no HD1:sc= -0.435 K(o=-0.44,f=-4.4!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 ASN : amide:sc= -1.6! C(o=-2.7!,f=-5.9!) USER MOD Set 2.2: A 16 GLN : amide:sc= -0.84 K(o=-2.7,f=-5.7!) USER MOD Set 2.3: A 34 SER OG : rot -170:sc= -0.303 USER MOD Set 2.4: A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 2.43 (180deg=2.39) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.12) USER MOD Single : A 5 MET CE :methyl -153:sc= -1.73 (180deg=-3.36!) USER MOD Single : A 8 SER OG : rot 102:sc= -0.124 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0038 USER MOD Single : A 13 SER OG : rot -156:sc= 1.48 USER MOD Single : A 15 SER OG : rot -172:sc= 1.15 USER MOD Single : A 17 MET CE :methyl 167:sc=-0.00356 (180deg=-0.34) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -76:sc= 0.194 USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.21) USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.752 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00302 USER MOD Single : A 40 SER OG : rot 180:sc= 0.887 USER MOD Single : A 49 MET CE :methyl 174:sc= -0.204 (180deg=-0.255) USER MOD Single : A 50 MET CE :methyl -157:sc= -0.881 (180deg=-2.94!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0239 F(o=-1.6!,f=-0.024) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00706 USER MOD Single : A 67 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 69 ASN : amide:sc= 1.94 K(o=1.9,f=-0.015) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -87:sc= 1.24 USER MOD Single : A 85 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : A 92 THR OG1 : rot -77:sc= 0.212 USER MOD Single : A 93 GLN : amide:sc= 0.806 K(o=0.81,f=-0.21) USER MOD Single : A 100 GLN : amide:sc= 0.912 K(o=0.91,f=-0.0097) USER MOD Single : A 107 GLN : amide:sc= 0.683 K(o=0.68,f=-0.079) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 114 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.17) USER MOD Single : A 120 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.22) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 129 LYS NZ :NH3+ 170:sc= 1.16 (180deg=1.1) USER MOD Single : A 131 SER OG : rot 180:sc= 0.0054 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.859 0.224 0.644 1.00 0.00 N ATOM 2 CA MET A 1 2.459 0.227 -0.734 1.00 0.00 C ATOM 3 C MET A 1 2.806 -1.207 -1.177 1.00 0.00 C ATOM 4 O MET A 1 3.467 -1.925 -0.434 1.00 0.00 O ATOM 5 CB MET A 1 3.710 1.146 -0.801 1.00 0.00 C ATOM 6 CG MET A 1 4.142 1.506 -2.229 1.00 0.00 C ATOM 7 SD MET A 1 5.652 2.516 -2.313 1.00 0.00 S ATOM 8 CE MET A 1 5.036 4.139 -1.776 1.00 0.00 C ATOM 0 H1 MET A 1 1.632 1.199 0.926 1.00 0.00 H new ATOM 0 H2 MET A 1 0.990 -0.348 0.643 1.00 0.00 H new ATOM 0 H3 MET A 1 2.539 -0.181 1.318 1.00 0.00 H new ATOM 0 HA MET A 1 1.716 0.629 -1.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.503 2.065 -0.252 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.539 0.652 -0.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.301 0.586 -2.792 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.330 2.044 -2.719 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.855 4.858 -1.779 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.255 4.475 -2.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.628 4.058 -0.768 1.00 0.00 H new ATOM 20 N LYS A 2 2.407 -1.632 -2.389 1.00 0.00 N ATOM 21 CA LYS A 2 2.622 -3.011 -2.900 1.00 0.00 C ATOM 22 C LYS A 2 4.013 -3.159 -3.536 1.00 0.00 C ATOM 23 O LYS A 2 4.183 -2.858 -4.713 1.00 0.00 O ATOM 24 CB LYS A 2 1.497 -3.382 -3.901 1.00 0.00 C ATOM 25 CG LYS A 2 0.056 -3.219 -3.378 1.00 0.00 C ATOM 26 CD LYS A 2 -0.346 -4.191 -2.260 1.00 0.00 C ATOM 27 CE LYS A 2 -0.584 -5.609 -2.798 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.996 -6.536 -1.709 1.00 0.00 N ATOM 0 H LYS A 2 1.921 -1.028 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 2 2.581 -3.706 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.612 -2.766 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.637 -4.418 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.068 -2.199 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.633 -3.345 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.436 -4.216 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.252 -3.830 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.355 -5.584 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.326 -5.979 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.166 -7.483 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.242 -6.590 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.868 -6.184 -1.265 1.00 0.00 H new ATOM 42 N LYS A 3 5.027 -3.563 -2.762 1.00 0.00 N ATOM 43 CA LYS A 3 6.431 -3.602 -3.235 1.00 0.00 C ATOM 44 C LYS A 3 6.712 -4.814 -4.127 1.00 0.00 C ATOM 45 O LYS A 3 6.186 -5.905 -3.901 1.00 0.00 O ATOM 46 CB LYS A 3 7.439 -3.524 -2.072 1.00 0.00 C ATOM 47 CG LYS A 3 7.179 -2.336 -1.142 1.00 0.00 C ATOM 48 CD LYS A 3 8.277 -2.185 -0.085 1.00 0.00 C ATOM 49 CE LYS A 3 7.855 -1.096 0.908 1.00 0.00 C ATOM 50 NZ LYS A 3 8.858 -0.931 1.994 1.00 0.00 N ATOM 0 H LYS A 3 4.908 -3.871 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 3 6.568 -2.711 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.394 -4.448 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.449 -3.449 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.115 -1.421 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.216 -2.466 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.434 -3.130 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.223 -1.920 -0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.729 -0.150 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.888 -1.351 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.450 -0.356 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.123 -1.865 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.703 -0.456 1.617 1.00 0.00 H new ATOM 64 N VAL A 4 7.589 -4.617 -5.113 1.00 0.00 N ATOM 65 CA VAL A 4 8.024 -5.652 -6.069 1.00 0.00 C ATOM 66 C VAL A 4 9.476 -6.038 -5.810 1.00 0.00 C ATOM 67 O VAL A 4 10.283 -5.159 -5.536 1.00 0.00 O ATOM 68 CB VAL A 4 7.851 -5.172 -7.525 1.00 0.00 C ATOM 69 CG1 VAL A 4 8.203 -6.276 -8.531 1.00 0.00 C ATOM 70 CG2 VAL A 4 6.419 -4.725 -7.829 1.00 0.00 C ATOM 0 H VAL A 4 8.031 -3.713 -5.278 1.00 0.00 H new ATOM 0 HA VAL A 4 7.394 -6.530 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 4 8.531 -4.326 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.069 -5.900 -9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.241 -6.579 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.550 -7.134 -8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.353 -4.397 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.736 -5.559 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.148 -3.900 -7.170 1.00 0.00 H new ATOM 80 N MET A 5 9.834 -7.312 -5.971 1.00 0.00 N ATOM 81 CA MET A 5 11.226 -7.780 -5.947 1.00 0.00 C ATOM 82 C MET A 5 11.539 -8.638 -7.178 1.00 0.00 C ATOM 83 O MET A 5 10.953 -9.705 -7.349 1.00 0.00 O ATOM 84 CB MET A 5 11.497 -8.572 -4.650 1.00 0.00 C ATOM 85 CG MET A 5 12.976 -8.986 -4.545 1.00 0.00 C ATOM 86 SD MET A 5 14.091 -7.568 -4.486 1.00 0.00 S ATOM 87 CE MET A 5 14.139 -7.214 -2.713 1.00 0.00 C ATOM 0 H MET A 5 9.158 -8.061 -6.124 1.00 0.00 H new ATOM 0 HA MET A 5 11.882 -6.910 -5.971 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.225 -7.964 -3.787 1.00 0.00 H new ATOM 0 HB3 MET A 5 10.866 -9.460 -4.626 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.117 -9.592 -3.650 1.00 0.00 H new ATOM 0 HG3 MET A 5 13.236 -9.612 -5.398 1.00 0.00 H new ATOM 0 HE1 MET A 5 14.357 -6.157 -2.559 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.173 -7.454 -2.268 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.915 -7.817 -2.242 1.00 0.00 H new ATOM 97 N PHE A 6 12.485 -8.211 -8.015 1.00 0.00 N ATOM 98 CA PHE A 6 13.026 -9.043 -9.105 1.00 0.00 C ATOM 99 C PHE A 6 14.219 -9.869 -8.627 1.00 0.00 C ATOM 100 O PHE A 6 15.100 -9.327 -7.968 1.00 0.00 O ATOM 101 CB PHE A 6 13.412 -8.176 -10.305 1.00 0.00 C ATOM 102 CG PHE A 6 12.277 -7.302 -10.779 1.00 0.00 C ATOM 103 CD1 PHE A 6 11.224 -7.826 -11.554 1.00 0.00 C ATOM 104 CD2 PHE A 6 12.219 -5.977 -10.329 1.00 0.00 C ATOM 105 CE1 PHE A 6 10.098 -7.041 -11.826 1.00 0.00 C ATOM 106 CE2 PHE A 6 11.091 -5.192 -10.591 1.00 0.00 C ATOM 107 CZ PHE A 6 10.023 -5.724 -11.341 1.00 0.00 C ATOM 0 H PHE A 6 12.901 -7.281 -7.962 1.00 0.00 H new ATOM 0 HA PHE A 6 12.245 -9.735 -9.419 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.261 -7.548 -10.036 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.737 -8.819 -11.123 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.286 -8.833 -11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.048 -5.560 -9.777 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.285 -7.448 -12.410 1.00 0.00 H new ATOM 0 HE2 PHE A 6 11.039 -4.179 -10.219 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.150 -5.122 -11.542 1.00 0.00 H new ATOM 117 N VAL A 7 14.274 -11.153 -8.986 1.00 0.00 N ATOM 118 CA VAL A 7 15.247 -12.128 -8.468 1.00 0.00 C ATOM 119 C VAL A 7 15.881 -12.914 -9.618 1.00 0.00 C ATOM 120 O VAL A 7 15.170 -13.488 -10.437 1.00 0.00 O ATOM 121 CB VAL A 7 14.589 -13.106 -7.462 1.00 0.00 C ATOM 122 CG1 VAL A 7 15.672 -13.772 -6.603 1.00 0.00 C ATOM 123 CG2 VAL A 7 13.597 -12.432 -6.503 1.00 0.00 C ATOM 0 H VAL A 7 13.628 -11.558 -9.663 1.00 0.00 H new ATOM 0 HA VAL A 7 16.023 -11.571 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 7 14.040 -13.827 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.205 -14.459 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.358 -14.323 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.223 -13.008 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.177 -13.179 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.114 -11.669 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.794 -11.969 -7.076 1.00 0.00 H new ATOM 133 N SER A 8 17.213 -12.992 -9.665 1.00 0.00 N ATOM 134 CA SER A 8 17.945 -13.852 -10.628 1.00 0.00 C ATOM 135 C SER A 8 19.215 -14.456 -10.024 1.00 0.00 C ATOM 136 O SER A 8 19.523 -14.205 -8.860 1.00 0.00 O ATOM 137 CB SER A 8 18.278 -13.080 -11.911 1.00 0.00 C ATOM 138 OG SER A 8 18.468 -14.051 -12.918 1.00 0.00 O ATOM 0 H SER A 8 17.824 -12.465 -9.041 1.00 0.00 H new ATOM 0 HA SER A 8 17.280 -14.679 -10.877 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.470 -12.398 -12.176 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.175 -12.475 -11.779 1.00 0.00 H new ATOM 0 HG SER A 8 17.668 -14.099 -13.481 1.00 0.00 H new ATOM 144 N LYS A 9 20.002 -15.208 -10.811 1.00 0.00 N ATOM 145 CA LYS A 9 21.351 -15.648 -10.377 1.00 0.00 C ATOM 146 C LYS A 9 22.269 -14.434 -10.194 1.00 0.00 C ATOM 147 O LYS A 9 22.875 -14.294 -9.144 1.00 0.00 O ATOM 148 CB LYS A 9 21.918 -16.741 -11.311 1.00 0.00 C ATOM 149 CG LYS A 9 23.189 -17.373 -10.703 1.00 0.00 C ATOM 150 CD LYS A 9 23.677 -18.642 -11.420 1.00 0.00 C ATOM 151 CE LYS A 9 24.257 -18.368 -12.820 1.00 0.00 C ATOM 152 NZ LYS A 9 24.832 -19.609 -13.422 1.00 0.00 N ATOM 0 H LYS A 9 19.737 -15.525 -11.744 1.00 0.00 H new ATOM 0 HA LYS A 9 21.280 -16.127 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.165 -17.512 -11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.150 -16.310 -12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.989 -16.633 -10.717 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.995 -17.614 -9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.438 -19.126 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.846 -19.342 -11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.475 -17.975 -13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.030 -17.602 -12.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.215 -19.393 -14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.594 -19.969 -12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.088 -20.330 -13.508 1.00 0.00 H new ATOM 166 N ARG A 10 22.289 -13.520 -11.170 1.00 0.00 N ATOM 167 CA ARG A 10 22.926 -12.189 -11.070 1.00 0.00 C ATOM 168 C ARG A 10 21.865 -11.146 -10.778 1.00 0.00 C ATOM 169 O ARG A 10 21.016 -10.876 -11.621 1.00 0.00 O ATOM 170 CB ARG A 10 23.643 -11.802 -12.387 1.00 0.00 C ATOM 171 CG ARG A 10 25.154 -12.070 -12.341 1.00 0.00 C ATOM 172 CD ARG A 10 25.514 -13.559 -12.292 1.00 0.00 C ATOM 173 NE ARG A 10 26.919 -13.731 -11.888 1.00 0.00 N ATOM 174 CZ ARG A 10 27.994 -13.871 -12.635 1.00 0.00 C ATOM 175 NH1 ARG A 10 27.980 -13.878 -13.937 1.00 0.00 N ATOM 176 NH2 ARG A 10 29.131 -14.000 -12.020 1.00 0.00 N ATOM 0 H ARG A 10 21.853 -13.683 -12.078 1.00 0.00 H new ATOM 0 HA ARG A 10 23.664 -12.231 -10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.204 -12.362 -13.213 1.00 0.00 H new ATOM 0 HB3 ARG A 10 23.472 -10.745 -12.592 1.00 0.00 H new ATOM 0 HG2 ARG A 10 25.621 -11.621 -13.218 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.576 -11.574 -11.467 1.00 0.00 H new ATOM 0 HD2 ARG A 10 24.860 -14.075 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 10 25.351 -14.012 -13.270 1.00 0.00 H new ATOM 0 HE ARG A 10 27.084 -13.744 -10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 10 27.098 -13.771 -14.438 1.00 0.00 H new ATOM 0 HH12 ARG A 10 28.851 -13.991 -14.456 1.00 0.00 H new ATOM 0 HH21 ARG A 10 29.163 -13.990 -11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 10 29.991 -14.111 -12.557 1.00 0.00 H new ATOM 190 N ASN A 11 21.947 -10.492 -9.629 1.00 0.00 N ATOM 191 CA ASN A 11 21.119 -9.310 -9.380 1.00 0.00 C ATOM 192 C ASN A 11 21.540 -8.189 -10.345 1.00 0.00 C ATOM 193 O ASN A 11 20.696 -7.457 -10.853 1.00 0.00 O ATOM 194 CB ASN A 11 21.340 -8.868 -7.934 1.00 0.00 C ATOM 195 CG ASN A 11 20.388 -7.802 -7.431 1.00 0.00 C ATOM 196 OD1 ASN A 11 20.203 -7.685 -6.243 1.00 0.00 O ATOM 197 ND2 ASN A 11 19.781 -6.979 -8.246 1.00 0.00 N ATOM 0 H ASN A 11 22.567 -10.750 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 11 20.065 -9.536 -9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 11 21.256 -9.741 -7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 11 22.360 -8.496 -7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 11 19.165 -6.256 -7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 11 19.923 -7.061 -9.253 1.00 0.00 H new ATOM 204 N SER A 12 22.844 -8.103 -10.608 1.00 0.00 N ATOM 205 CA SER A 12 23.528 -7.139 -11.470 1.00 0.00 C ATOM 206 C SER A 12 23.024 -7.089 -12.915 1.00 0.00 C ATOM 207 O SER A 12 23.093 -6.035 -13.544 1.00 0.00 O ATOM 208 CB SER A 12 24.996 -7.551 -11.464 1.00 0.00 C ATOM 209 OG SER A 12 25.113 -8.914 -11.828 1.00 0.00 O ATOM 0 H SER A 12 23.503 -8.760 -10.189 1.00 0.00 H new ATOM 0 HA SER A 12 23.343 -6.139 -11.079 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.560 -6.930 -12.159 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.424 -7.391 -10.474 1.00 0.00 H new ATOM 0 HG SER A 12 26.058 -9.174 -11.824 1.00 0.00 H new ATOM 215 N SER A 13 22.515 -8.213 -13.437 1.00 0.00 N ATOM 216 CA SER A 13 21.924 -8.312 -14.775 1.00 0.00 C ATOM 217 C SER A 13 20.395 -8.326 -14.726 1.00 0.00 C ATOM 218 O SER A 13 19.801 -7.273 -14.520 1.00 0.00 O ATOM 219 CB SER A 13 22.584 -9.427 -15.590 1.00 0.00 C ATOM 220 OG SER A 13 22.241 -10.707 -15.095 1.00 0.00 O ATOM 0 H SER A 13 22.503 -9.097 -12.928 1.00 0.00 H new ATOM 0 HA SER A 13 22.148 -7.403 -15.334 1.00 0.00 H new ATOM 0 HB2 SER A 13 22.278 -9.346 -16.633 1.00 0.00 H new ATOM 0 HB3 SER A 13 23.667 -9.305 -15.565 1.00 0.00 H new ATOM 0 HG SER A 13 22.933 -11.352 -15.349 1.00 0.00 H new ATOM 226 N ARG A 14 19.726 -9.479 -14.865 1.00 0.00 N ATOM 227 CA ARG A 14 18.255 -9.551 -15.072 1.00 0.00 C ATOM 228 C ARG A 14 17.442 -8.809 -14.011 1.00 0.00 C ATOM 229 O ARG A 14 16.549 -8.053 -14.376 1.00 0.00 O ATOM 230 CB ARG A 14 17.749 -11.000 -15.260 1.00 0.00 C ATOM 231 CG ARG A 14 18.530 -11.814 -16.310 1.00 0.00 C ATOM 232 CD ARG A 14 19.458 -12.864 -15.679 1.00 0.00 C ATOM 233 NE ARG A 14 18.920 -14.233 -15.873 1.00 0.00 N ATOM 234 CZ ARG A 14 19.489 -15.375 -15.543 1.00 0.00 C ATOM 235 NH1 ARG A 14 20.527 -15.414 -14.768 1.00 0.00 N ATOM 236 NH2 ARG A 14 19.023 -16.503 -15.980 1.00 0.00 N ATOM 0 H ARG A 14 20.180 -10.392 -14.839 1.00 0.00 H new ATOM 0 HA ARG A 14 18.084 -9.020 -16.009 1.00 0.00 H new ATOM 0 HB2 ARG A 14 17.803 -11.518 -14.303 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.698 -10.971 -15.548 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.825 -12.312 -16.975 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.122 -11.135 -16.923 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.450 -12.793 -16.125 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.572 -12.661 -14.614 1.00 0.00 H new ATOM 0 HE ARG A 14 18.002 -14.298 -16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 14 20.921 -14.548 -14.399 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.950 -16.310 -14.527 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.204 -16.515 -16.588 1.00 0.00 H new ATOM 0 HH22 ARG A 14 19.475 -17.378 -15.715 1.00 0.00 H new ATOM 250 N SER A 15 17.770 -8.948 -12.726 1.00 0.00 N ATOM 251 CA SER A 15 17.034 -8.253 -11.655 1.00 0.00 C ATOM 252 C SER A 15 17.152 -6.740 -11.769 1.00 0.00 C ATOM 253 O SER A 15 16.139 -6.053 -11.775 1.00 0.00 O ATOM 254 CB SER A 15 17.486 -8.693 -10.268 1.00 0.00 C ATOM 255 OG SER A 15 17.602 -10.092 -10.196 1.00 0.00 O ATOM 0 H SER A 15 18.538 -9.533 -12.396 1.00 0.00 H new ATOM 0 HA SER A 15 15.989 -8.533 -11.785 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.445 -8.232 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.772 -8.345 -9.522 1.00 0.00 H new ATOM 0 HG SER A 15 17.773 -10.359 -9.269 1.00 0.00 H new ATOM 261 N GLN A 16 18.357 -6.190 -11.881 1.00 0.00 N ATOM 262 CA GLN A 16 18.567 -4.754 -12.088 1.00 0.00 C ATOM 263 C GLN A 16 18.027 -4.232 -13.420 1.00 0.00 C ATOM 264 O GLN A 16 17.484 -3.127 -13.454 1.00 0.00 O ATOM 265 CB GLN A 16 20.058 -4.445 -11.918 1.00 0.00 C ATOM 266 CG GLN A 16 20.390 -4.103 -10.460 1.00 0.00 C ATOM 267 CD GLN A 16 21.735 -3.405 -10.327 1.00 0.00 C ATOM 268 OE1 GLN A 16 22.667 -3.601 -11.089 1.00 0.00 O ATOM 269 NE2 GLN A 16 21.855 -2.532 -9.360 1.00 0.00 N ATOM 0 H GLN A 16 19.222 -6.728 -11.831 1.00 0.00 H new ATOM 0 HA GLN A 16 17.986 -4.222 -11.334 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.649 -5.304 -12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.335 -3.611 -12.562 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.608 -3.463 -10.051 1.00 0.00 H new ATOM 0 HG3 GLN A 16 20.396 -5.017 -9.866 1.00 0.00 H new ATOM 0 HE21 GLN A 16 21.076 -2.367 -8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.727 -2.016 -9.244 1.00 0.00 H new ATOM 278 N MET A 17 18.068 -5.033 -14.487 1.00 0.00 N ATOM 279 CA MET A 17 17.412 -4.699 -15.755 1.00 0.00 C ATOM 280 C MET A 17 15.899 -4.529 -15.549 1.00 0.00 C ATOM 281 O MET A 17 15.331 -3.493 -15.890 1.00 0.00 O ATOM 282 CB MET A 17 17.717 -5.768 -16.826 1.00 0.00 C ATOM 283 CG MET A 17 19.193 -5.767 -17.249 1.00 0.00 C ATOM 284 SD MET A 17 19.631 -7.131 -18.358 1.00 0.00 S ATOM 285 CE MET A 17 18.943 -6.495 -19.910 1.00 0.00 C ATOM 0 H MET A 17 18.555 -5.929 -14.498 1.00 0.00 H new ATOM 0 HA MET A 17 17.810 -3.750 -16.113 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.453 -6.752 -16.439 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.091 -5.591 -17.701 1.00 0.00 H new ATOM 0 HG2 MET A 17 19.420 -4.822 -17.742 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.818 -5.820 -16.357 1.00 0.00 H new ATOM 0 HE1 MET A 17 19.317 -7.089 -20.744 1.00 0.00 H new ATOM 0 HE2 MET A 17 17.855 -6.558 -19.879 1.00 0.00 H new ATOM 0 HE3 MET A 17 19.243 -5.455 -20.042 1.00 0.00 H new ATOM 295 N ALA A 18 15.255 -5.502 -14.901 1.00 0.00 N ATOM 296 CA ALA A 18 13.835 -5.443 -14.567 1.00 0.00 C ATOM 297 C ALA A 18 13.508 -4.377 -13.521 1.00 0.00 C ATOM 298 O ALA A 18 12.451 -3.764 -13.616 1.00 0.00 O ATOM 299 CB ALA A 18 13.401 -6.835 -14.112 1.00 0.00 C ATOM 0 H ALA A 18 15.711 -6.360 -14.591 1.00 0.00 H new ATOM 0 HA ALA A 18 13.276 -5.143 -15.454 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.342 -6.820 -13.856 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.569 -7.550 -14.917 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.982 -7.130 -13.238 1.00 0.00 H new ATOM 305 N GLU A 19 14.407 -4.059 -12.583 1.00 0.00 N ATOM 306 CA GLU A 19 14.143 -3.002 -11.603 1.00 0.00 C ATOM 307 C GLU A 19 14.121 -1.670 -12.322 1.00 0.00 C ATOM 308 O GLU A 19 13.202 -0.895 -12.113 1.00 0.00 O ATOM 309 CB GLU A 19 15.197 -2.976 -10.487 1.00 0.00 C ATOM 310 CG GLU A 19 14.979 -1.814 -9.496 1.00 0.00 C ATOM 311 CD GLU A 19 16.148 -1.689 -8.514 1.00 0.00 C ATOM 312 OE1 GLU A 19 17.245 -1.312 -8.990 1.00 0.00 O ATOM 313 OE2 GLU A 19 15.954 -1.944 -7.304 1.00 0.00 O ATOM 0 H GLU A 19 15.315 -4.514 -12.483 1.00 0.00 H new ATOM 0 HA GLU A 19 13.180 -3.200 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.171 -3.921 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.189 -2.890 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.864 -0.881 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.053 -1.974 -8.943 1.00 0.00 H new ATOM 320 N GLY A 20 15.089 -1.410 -13.200 1.00 0.00 N ATOM 321 CA GLY A 20 15.163 -0.137 -13.903 1.00 0.00 C ATOM 322 C GLY A 20 14.010 0.062 -14.885 1.00 0.00 C ATOM 323 O GLY A 20 13.435 1.144 -14.904 1.00 0.00 O ATOM 0 H GLY A 20 15.832 -2.067 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.160 0.675 -13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.108 -0.079 -14.442 1.00 0.00 H new ATOM 327 N PHE A 21 13.588 -0.980 -15.615 1.00 0.00 N ATOM 328 CA PHE A 21 12.358 -0.896 -16.418 1.00 0.00 C ATOM 329 C PHE A 21 11.112 -0.724 -15.536 1.00 0.00 C ATOM 330 O PHE A 21 10.225 0.053 -15.871 1.00 0.00 O ATOM 331 CB PHE A 21 12.235 -2.119 -17.358 1.00 0.00 C ATOM 332 CG PHE A 21 12.626 -1.866 -18.802 1.00 0.00 C ATOM 333 CD1 PHE A 21 11.910 -0.915 -19.551 1.00 0.00 C ATOM 334 CD2 PHE A 21 13.671 -2.589 -19.416 1.00 0.00 C ATOM 335 CE1 PHE A 21 12.268 -0.644 -20.883 1.00 0.00 C ATOM 336 CE2 PHE A 21 14.018 -2.325 -20.752 1.00 0.00 C ATOM 337 CZ PHE A 21 13.322 -1.349 -21.483 1.00 0.00 C ATOM 0 H PHE A 21 14.070 -1.877 -15.667 1.00 0.00 H new ATOM 0 HA PHE A 21 12.424 -0.003 -17.040 1.00 0.00 H new ATOM 0 HB2 PHE A 21 12.858 -2.923 -16.965 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.204 -2.473 -17.334 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.081 -0.390 -19.100 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.204 -3.345 -18.859 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.732 0.107 -21.444 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.823 -2.875 -21.218 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.598 -1.141 -22.506 1.00 0.00 H new ATOM 347 N ALA A 22 11.019 -1.407 -14.390 1.00 0.00 N ATOM 348 CA ALA A 22 9.846 -1.296 -13.516 1.00 0.00 C ATOM 349 C ALA A 22 9.789 0.073 -12.828 1.00 0.00 C ATOM 350 O ALA A 22 8.715 0.636 -12.646 1.00 0.00 O ATOM 351 CB ALA A 22 9.865 -2.475 -12.538 1.00 0.00 C ATOM 0 H ALA A 22 11.740 -2.041 -14.046 1.00 0.00 H new ATOM 0 HA ALA A 22 8.927 -1.353 -14.099 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.001 -2.413 -11.877 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.829 -3.411 -13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.779 -2.441 -11.945 1.00 0.00 H new ATOM 357 N LYS A 23 10.957 0.638 -12.523 1.00 0.00 N ATOM 358 CA LYS A 23 11.161 2.013 -12.055 1.00 0.00 C ATOM 359 C LYS A 23 10.644 2.993 -13.104 1.00 0.00 C ATOM 360 O LYS A 23 9.712 3.735 -12.824 1.00 0.00 O ATOM 361 CB LYS A 23 12.662 2.172 -11.751 1.00 0.00 C ATOM 362 CG LYS A 23 13.042 3.432 -10.981 1.00 0.00 C ATOM 363 CD LYS A 23 14.579 3.457 -10.877 1.00 0.00 C ATOM 364 CE LYS A 23 15.139 4.543 -9.950 1.00 0.00 C ATOM 365 NZ LYS A 23 14.847 5.932 -10.418 1.00 0.00 N ATOM 0 H LYS A 23 11.834 0.123 -12.599 1.00 0.00 H new ATOM 0 HA LYS A 23 10.602 2.229 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.994 1.304 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.209 2.163 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.677 4.321 -11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.589 3.428 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.922 2.484 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.995 3.599 -11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.722 4.409 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.218 4.416 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.252 6.616 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.267 6.077 -11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.818 6.070 -10.474 1.00 0.00 H new ATOM 379 N THR A 24 11.136 2.933 -14.341 1.00 0.00 N ATOM 380 CA THR A 24 10.672 3.862 -15.390 1.00 0.00 C ATOM 381 C THR A 24 9.237 3.627 -15.873 1.00 0.00 C ATOM 382 O THR A 24 8.647 4.546 -16.444 1.00 0.00 O ATOM 383 CB THR A 24 11.640 3.905 -16.567 1.00 0.00 C ATOM 384 OG1 THR A 24 11.806 2.621 -17.116 1.00 0.00 O ATOM 385 CG2 THR A 24 12.990 4.439 -16.103 1.00 0.00 C ATOM 0 H THR A 24 11.844 2.265 -14.646 1.00 0.00 H new ATOM 0 HA THR A 24 10.656 4.837 -14.903 1.00 0.00 H new ATOM 0 HB THR A 24 11.229 4.564 -17.332 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.396 2.092 -16.539 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.679 4.468 -16.947 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.865 5.445 -15.702 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.393 3.786 -15.328 1.00 0.00 H new ATOM 393 N LEU A 25 8.632 2.465 -15.583 1.00 0.00 N ATOM 394 CA LEU A 25 7.216 2.181 -15.869 1.00 0.00 C ATOM 395 C LEU A 25 6.284 2.351 -14.642 1.00 0.00 C ATOM 396 O LEU A 25 5.074 2.172 -14.775 1.00 0.00 O ATOM 397 CB LEU A 25 7.092 0.777 -16.509 1.00 0.00 C ATOM 398 CG LEU A 25 7.737 0.673 -17.907 1.00 0.00 C ATOM 399 CD1 LEU A 25 7.950 -0.794 -18.276 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.851 1.310 -18.979 1.00 0.00 C ATOM 0 H LEU A 25 9.118 1.686 -15.138 1.00 0.00 H new ATOM 0 HA LEU A 25 6.868 2.931 -16.579 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.556 0.044 -15.849 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.037 0.514 -16.585 1.00 0.00 H new ATOM 0 HG LEU A 25 8.689 1.202 -17.867 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.406 -0.858 -19.264 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.607 -1.262 -17.543 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.990 -1.310 -18.285 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.335 1.220 -19.952 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.887 0.801 -19.004 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.699 2.364 -18.746 1.00 0.00 H new ATOM 412 N GLY A 26 6.820 2.688 -13.459 1.00 0.00 N ATOM 413 CA GLY A 26 6.077 2.670 -12.184 1.00 0.00 C ATOM 414 C GLY A 26 6.510 3.673 -11.104 1.00 0.00 C ATOM 415 O GLY A 26 5.963 3.636 -10.003 1.00 0.00 O ATOM 0 H GLY A 26 7.791 2.984 -13.357 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.024 2.845 -12.404 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.152 1.667 -11.763 1.00 0.00 H new ATOM 419 N ALA A 27 7.462 4.570 -11.372 1.00 0.00 N ATOM 420 CA ALA A 27 7.914 5.575 -10.405 1.00 0.00 C ATOM 421 C ALA A 27 6.754 6.482 -9.932 1.00 0.00 C ATOM 422 O ALA A 27 5.942 6.950 -10.733 1.00 0.00 O ATOM 423 CB ALA A 27 9.065 6.388 -11.016 1.00 0.00 C ATOM 0 H ALA A 27 7.944 4.620 -12.270 1.00 0.00 H new ATOM 0 HA ALA A 27 8.280 5.065 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.403 7.136 -10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.892 5.721 -11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.719 6.885 -11.922 1.00 0.00 H new ATOM 429 N GLY A 28 6.666 6.704 -8.615 1.00 0.00 N ATOM 430 CA GLY A 28 5.575 7.444 -7.962 1.00 0.00 C ATOM 431 C GLY A 28 4.279 6.646 -7.737 1.00 0.00 C ATOM 432 O GLY A 28 3.345 7.180 -7.135 1.00 0.00 O ATOM 0 H GLY A 28 7.368 6.366 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.931 7.806 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.341 8.321 -8.565 1.00 0.00 H new ATOM 436 N LYS A 29 4.211 5.378 -8.182 1.00 0.00 N ATOM 437 CA LYS A 29 3.069 4.467 -7.963 1.00 0.00 C ATOM 438 C LYS A 29 3.314 3.605 -6.723 1.00 0.00 C ATOM 439 O LYS A 29 2.771 3.859 -5.648 1.00 0.00 O ATOM 440 CB LYS A 29 2.809 3.603 -9.216 1.00 0.00 C ATOM 441 CG LYS A 29 2.575 4.393 -10.515 1.00 0.00 C ATOM 442 CD LYS A 29 1.089 4.535 -10.830 1.00 0.00 C ATOM 443 CE LYS A 29 0.320 5.465 -9.882 1.00 0.00 C ATOM 444 NZ LYS A 29 -1.130 5.502 -10.230 1.00 0.00 N ATOM 0 H LYS A 29 4.965 4.947 -8.716 1.00 0.00 H new ATOM 0 HA LYS A 29 2.172 5.061 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.659 2.937 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.939 2.973 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.024 5.382 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.076 3.890 -11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.981 4.907 -11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.629 3.547 -10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.442 5.124 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.737 6.471 -9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.619 6.176 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.242 5.801 -11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.541 4.555 -10.106 1.00 0.00 H new ATOM 458 N ILE A 30 4.176 2.604 -6.907 1.00 0.00 N ATOM 459 CA ILE A 30 4.700 1.690 -5.870 1.00 0.00 C ATOM 460 C ILE A 30 6.242 1.623 -5.907 1.00 0.00 C ATOM 461 O ILE A 30 6.865 2.205 -6.796 1.00 0.00 O ATOM 462 CB ILE A 30 4.008 0.304 -5.963 1.00 0.00 C ATOM 463 CG1 ILE A 30 4.203 -0.460 -7.295 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.492 0.460 -5.739 1.00 0.00 C ATOM 465 CD1 ILE A 30 5.611 -1.017 -7.548 1.00 0.00 C ATOM 0 H ILE A 30 4.553 2.391 -7.831 1.00 0.00 H new ATOM 0 HA ILE A 30 4.452 2.089 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 30 4.495 -0.288 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.495 -1.288 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.945 0.209 -8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.012 -0.516 -5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.312 0.886 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.078 1.121 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.631 -1.532 -8.509 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.330 -0.198 -7.560 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.873 -1.718 -6.755 1.00 0.00 H new ATOM 477 N ALA A 31 6.874 0.895 -4.976 1.00 0.00 N ATOM 478 CA ALA A 31 8.326 0.708 -4.951 1.00 0.00 C ATOM 479 C ALA A 31 8.749 -0.594 -5.622 1.00 0.00 C ATOM 480 O ALA A 31 8.314 -1.688 -5.255 1.00 0.00 O ATOM 481 CB ALA A 31 8.873 0.734 -3.522 1.00 0.00 C ATOM 0 H ALA A 31 6.387 0.418 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 31 8.746 1.543 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.954 0.592 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.642 1.695 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.413 -0.066 -2.942 1.00 0.00 H new ATOM 487 N VAL A 32 9.647 -0.470 -6.587 1.00 0.00 N ATOM 488 CA VAL A 32 10.339 -1.596 -7.199 1.00 0.00 C ATOM 489 C VAL A 32 11.673 -1.882 -6.508 1.00 0.00 C ATOM 490 O VAL A 32 12.341 -0.973 -6.016 1.00 0.00 O ATOM 491 CB VAL A 32 10.506 -1.351 -8.689 1.00 0.00 C ATOM 492 CG1 VAL A 32 9.122 -1.208 -9.333 1.00 0.00 C ATOM 493 CG2 VAL A 32 11.387 -0.146 -9.042 1.00 0.00 C ATOM 0 H VAL A 32 9.921 0.433 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 32 9.731 -2.492 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 32 11.035 -2.217 -9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.235 -1.032 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.551 -2.122 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.595 -0.368 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.451 -0.047 -10.126 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.951 0.759 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.386 -0.293 -8.632 1.00 0.00 H new ATOM 503 N THR A 33 12.056 -3.158 -6.486 1.00 0.00 N ATOM 504 CA THR A 33 13.220 -3.647 -5.738 1.00 0.00 C ATOM 505 C THR A 33 13.884 -4.806 -6.476 1.00 0.00 C ATOM 506 O THR A 33 13.271 -5.459 -7.323 1.00 0.00 O ATOM 507 CB THR A 33 12.861 -4.059 -4.293 1.00 0.00 C ATOM 508 OG1 THR A 33 11.677 -3.446 -3.830 1.00 0.00 O ATOM 509 CG2 THR A 33 13.957 -3.658 -3.306 1.00 0.00 C ATOM 0 H THR A 33 11.562 -3.893 -6.993 1.00 0.00 H new ATOM 0 HA THR A 33 13.926 -2.819 -5.669 1.00 0.00 H new ATOM 0 HB THR A 33 12.737 -5.141 -4.336 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.903 -3.851 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.670 -3.964 -2.300 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.891 -4.147 -3.581 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.092 -2.577 -3.332 1.00 0.00 H new ATOM 517 N SER A 34 15.147 -5.062 -6.161 1.00 0.00 N ATOM 518 CA SER A 34 16.019 -6.005 -6.870 1.00 0.00 C ATOM 519 C SER A 34 16.872 -6.869 -5.924 1.00 0.00 C ATOM 520 O SER A 34 17.495 -6.328 -5.006 1.00 0.00 O ATOM 521 CB SER A 34 16.935 -5.188 -7.779 1.00 0.00 C ATOM 522 OG SER A 34 17.203 -5.921 -8.949 1.00 0.00 O ATOM 0 H SER A 34 15.614 -4.605 -5.378 1.00 0.00 H new ATOM 0 HA SER A 34 15.392 -6.696 -7.434 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.463 -4.238 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.865 -4.954 -7.262 1.00 0.00 H new ATOM 0 HG SER A 34 17.910 -5.474 -9.460 1.00 0.00 H new ATOM 528 N SER A 35 16.928 -8.187 -6.154 1.00 0.00 N ATOM 529 CA SER A 35 17.727 -9.151 -5.383 1.00 0.00 C ATOM 530 C SER A 35 18.278 -10.265 -6.278 1.00 0.00 C ATOM 531 O SER A 35 18.007 -10.320 -7.483 1.00 0.00 O ATOM 532 CB SER A 35 16.947 -9.704 -4.185 1.00 0.00 C ATOM 533 OG SER A 35 15.956 -10.625 -4.600 1.00 0.00 O ATOM 0 H SER A 35 16.401 -8.628 -6.908 1.00 0.00 H new ATOM 0 HA SER A 35 18.585 -8.615 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.634 -10.192 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.479 -8.883 -3.642 1.00 0.00 H new ATOM 0 HG SER A 35 15.479 -10.968 -3.816 1.00 0.00 H new ATOM 539 N GLY A 36 19.087 -11.169 -5.727 1.00 0.00 N ATOM 540 CA GLY A 36 19.481 -12.383 -6.448 1.00 0.00 C ATOM 541 C GLY A 36 20.489 -13.260 -5.710 1.00 0.00 C ATOM 542 O GLY A 36 20.952 -12.904 -4.630 1.00 0.00 O ATOM 0 H GLY A 36 19.481 -11.087 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.588 -12.973 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.904 -12.097 -7.411 1.00 0.00 H new ATOM 546 N LEU A 37 20.818 -14.422 -6.284 1.00 0.00 N ATOM 547 CA LEU A 37 21.710 -15.413 -5.647 1.00 0.00 C ATOM 548 C LEU A 37 23.133 -14.843 -5.453 1.00 0.00 C ATOM 549 O LEU A 37 23.766 -15.060 -4.419 1.00 0.00 O ATOM 550 CB LEU A 37 21.751 -16.725 -6.464 1.00 0.00 C ATOM 551 CG LEU A 37 20.392 -17.366 -6.826 1.00 0.00 C ATOM 552 CD1 LEU A 37 20.610 -18.728 -7.485 1.00 0.00 C ATOM 553 CD2 LEU A 37 19.489 -17.575 -5.614 1.00 0.00 C ATOM 0 H LEU A 37 20.477 -14.707 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 37 21.304 -15.639 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.292 -16.531 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.332 -17.456 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 37 19.903 -16.668 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.645 -19.170 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.198 -18.602 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.142 -19.384 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.550 -18.028 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.985 -18.233 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.286 -16.614 -5.142 1.00 0.00 H new ATOM 565 N GLU A 38 23.596 -14.061 -6.431 1.00 0.00 N ATOM 566 CA GLU A 38 24.805 -13.237 -6.401 1.00 0.00 C ATOM 567 C GLU A 38 24.388 -11.782 -6.650 1.00 0.00 C ATOM 568 O GLU A 38 23.898 -11.425 -7.725 1.00 0.00 O ATOM 569 CB GLU A 38 25.818 -13.780 -7.425 1.00 0.00 C ATOM 570 CG GLU A 38 27.185 -13.098 -7.289 1.00 0.00 C ATOM 571 CD GLU A 38 28.244 -13.801 -8.162 1.00 0.00 C ATOM 572 OE1 GLU A 38 28.207 -13.644 -9.407 1.00 0.00 O ATOM 573 OE2 GLU A 38 29.120 -14.513 -7.611 1.00 0.00 O ATOM 0 H GLU A 38 23.105 -13.982 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 38 25.307 -13.274 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.933 -14.855 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.434 -13.626 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.104 -12.051 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.501 -13.113 -6.246 1.00 0.00 H new ATOM 580 N SER A 39 24.549 -10.930 -5.635 1.00 0.00 N ATOM 581 CA SER A 39 24.224 -9.496 -5.710 1.00 0.00 C ATOM 582 C SER A 39 25.145 -8.747 -6.676 1.00 0.00 C ATOM 583 O SER A 39 24.711 -7.853 -7.401 1.00 0.00 O ATOM 584 CB SER A 39 24.319 -8.889 -4.310 1.00 0.00 C ATOM 585 OG SER A 39 25.584 -9.188 -3.738 1.00 0.00 O ATOM 0 H SER A 39 24.913 -11.216 -4.726 1.00 0.00 H new ATOM 0 HA SER A 39 23.209 -9.396 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.180 -7.809 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 39 23.522 -9.283 -3.679 1.00 0.00 H new ATOM 0 HG SER A 39 25.639 -8.795 -2.842 1.00 0.00 H new ATOM 591 N SER A 40 26.409 -9.171 -6.720 1.00 0.00 N ATOM 592 CA SER A 40 27.495 -8.588 -7.519 1.00 0.00 C ATOM 593 C SER A 40 27.547 -7.038 -7.402 1.00 0.00 C ATOM 594 O SER A 40 27.591 -6.513 -6.287 1.00 0.00 O ATOM 595 CB SER A 40 27.427 -9.166 -8.939 1.00 0.00 C ATOM 596 OG SER A 40 28.506 -8.691 -9.727 1.00 0.00 O ATOM 0 H SER A 40 26.722 -9.972 -6.172 1.00 0.00 H new ATOM 0 HA SER A 40 28.468 -8.877 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.454 -10.255 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.481 -8.889 -9.404 1.00 0.00 H new ATOM 0 HG SER A 40 28.446 -9.072 -10.628 1.00 0.00 H new ATOM 602 N ARG A 41 27.550 -6.299 -8.525 1.00 0.00 N ATOM 603 CA ARG A 41 27.583 -4.818 -8.633 1.00 0.00 C ATOM 604 C ARG A 41 26.687 -4.323 -9.778 1.00 0.00 C ATOM 605 O ARG A 41 26.066 -5.132 -10.449 1.00 0.00 O ATOM 606 CB ARG A 41 29.055 -4.383 -8.811 1.00 0.00 C ATOM 607 CG ARG A 41 29.654 -4.691 -10.204 1.00 0.00 C ATOM 608 CD ARG A 41 30.991 -5.437 -10.115 1.00 0.00 C ATOM 609 NE ARG A 41 30.793 -6.828 -9.651 1.00 0.00 N ATOM 610 CZ ARG A 41 31.614 -7.569 -8.928 1.00 0.00 C ATOM 611 NH1 ARG A 41 32.773 -7.139 -8.521 1.00 0.00 N ATOM 612 NH2 ARG A 41 31.261 -8.780 -8.605 1.00 0.00 N ATOM 0 H ARG A 41 27.528 -6.742 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 41 27.183 -4.365 -7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 41 29.128 -3.311 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 41 29.661 -4.878 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 41 28.945 -5.289 -10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 41 29.798 -3.758 -10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 41 31.475 -5.441 -11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 41 31.659 -4.913 -9.431 1.00 0.00 H new ATOM 0 HE ARG A 41 29.914 -7.269 -9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 41 33.079 -6.195 -8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 41 33.375 -7.746 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 41 30.359 -9.147 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 41 31.886 -9.362 -8.047 1.00 0.00 H new ATOM 626 N VAL A 42 26.637 -3.025 -10.078 1.00 0.00 N ATOM 627 CA VAL A 42 25.980 -2.530 -11.298 1.00 0.00 C ATOM 628 C VAL A 42 26.772 -3.018 -12.523 1.00 0.00 C ATOM 629 O VAL A 42 27.940 -2.667 -12.690 1.00 0.00 O ATOM 630 CB VAL A 42 25.797 -1.001 -11.232 1.00 0.00 C ATOM 631 CG1 VAL A 42 24.692 -0.691 -10.218 1.00 0.00 C ATOM 632 CG2 VAL A 42 27.046 -0.208 -10.808 1.00 0.00 C ATOM 0 H VAL A 42 27.043 -2.293 -9.495 1.00 0.00 H new ATOM 0 HA VAL A 42 24.972 -2.935 -11.388 1.00 0.00 H new ATOM 0 HB VAL A 42 25.560 -0.689 -12.249 1.00 0.00 H new ATOM 0 HG11 VAL A 42 24.547 0.388 -10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 42 23.763 -1.165 -10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 42 24.978 -1.075 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.813 0.857 -10.793 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.358 -0.526 -9.813 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.853 -0.393 -11.518 1.00 0.00 H new ATOM 642 N HIS A 43 26.180 -3.897 -13.346 1.00 0.00 N ATOM 643 CA HIS A 43 26.922 -4.601 -14.412 1.00 0.00 C ATOM 644 C HIS A 43 27.369 -3.651 -15.538 1.00 0.00 C ATOM 645 O HIS A 43 26.543 -2.875 -16.020 1.00 0.00 O ATOM 646 CB HIS A 43 26.083 -5.767 -14.963 1.00 0.00 C ATOM 647 CG HIS A 43 26.818 -6.632 -15.943 1.00 0.00 C ATOM 648 ND1 HIS A 43 26.950 -6.371 -17.306 1.00 0.00 N ATOM 649 CD2 HIS A 43 27.525 -7.751 -15.624 1.00 0.00 C ATOM 650 CE1 HIS A 43 27.726 -7.361 -17.781 1.00 0.00 C ATOM 651 NE2 HIS A 43 28.098 -8.191 -16.794 1.00 0.00 N ATOM 0 H HIS A 43 25.190 -4.140 -13.297 1.00 0.00 H new ATOM 0 HA HIS A 43 27.833 -5.005 -13.969 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.745 -6.384 -14.131 1.00 0.00 H new ATOM 0 HB3 HIS A 43 25.192 -5.365 -15.445 1.00 0.00 H new ATOM 0 HD2 HIS A 43 27.617 -8.203 -14.647 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.011 -7.473 -18.817 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.701 -9.007 -16.894 1.00 0.00 H new ATOM 659 N PRO A 44 28.633 -3.712 -16.006 1.00 0.00 N ATOM 660 CA PRO A 44 29.187 -2.741 -16.960 1.00 0.00 C ATOM 661 C PRO A 44 28.418 -2.678 -18.287 1.00 0.00 C ATOM 662 O PRO A 44 28.194 -1.591 -18.825 1.00 0.00 O ATOM 663 CB PRO A 44 30.644 -3.176 -17.179 1.00 0.00 C ATOM 664 CG PRO A 44 30.641 -4.659 -16.809 1.00 0.00 C ATOM 665 CD PRO A 44 29.659 -4.685 -15.647 1.00 0.00 C ATOM 0 HA PRO A 44 29.108 -1.730 -16.559 1.00 0.00 H new ATOM 0 HB2 PRO A 44 30.957 -3.022 -18.212 1.00 0.00 H new ATOM 0 HB3 PRO A 44 31.330 -2.608 -16.550 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.312 -5.287 -17.637 1.00 0.00 H new ATOM 0 HG3 PRO A 44 31.631 -5.010 -16.517 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.232 -5.679 -15.512 1.00 0.00 H new ATOM 0 HD3 PRO A 44 30.147 -4.418 -14.710 1.00 0.00 H new ATOM 673 N THR A 45 27.958 -3.826 -18.792 1.00 0.00 N ATOM 674 CA THR A 45 27.170 -3.897 -20.033 1.00 0.00 C ATOM 675 C THR A 45 25.715 -3.516 -19.770 1.00 0.00 C ATOM 676 O THR A 45 25.123 -2.817 -20.586 1.00 0.00 O ATOM 677 CB THR A 45 27.280 -5.287 -20.682 1.00 0.00 C ATOM 678 OG1 THR A 45 28.623 -5.729 -20.717 1.00 0.00 O ATOM 679 CG2 THR A 45 26.745 -5.323 -22.114 1.00 0.00 C ATOM 0 H THR A 45 28.119 -4.733 -18.355 1.00 0.00 H new ATOM 0 HA THR A 45 27.582 -3.176 -20.739 1.00 0.00 H new ATOM 0 HB THR A 45 26.670 -5.942 -20.060 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.665 -6.615 -21.133 1.00 0.00 H new ATOM 0 HG21 THR A 45 26.851 -6.330 -22.517 1.00 0.00 H new ATOM 0 HG22 THR A 45 25.692 -5.040 -22.116 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.310 -4.625 -22.731 1.00 0.00 H new ATOM 687 N ALA A 46 25.147 -3.862 -18.606 1.00 0.00 N ATOM 688 CA ALA A 46 23.795 -3.408 -18.256 1.00 0.00 C ATOM 689 C ALA A 46 23.712 -1.878 -18.131 1.00 0.00 C ATOM 690 O ALA A 46 22.781 -1.300 -18.674 1.00 0.00 O ATOM 691 CB ALA A 46 23.309 -4.102 -16.979 1.00 0.00 C ATOM 0 H ALA A 46 25.595 -4.446 -17.900 1.00 0.00 H new ATOM 0 HA ALA A 46 23.131 -3.690 -19.073 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.306 -3.753 -16.735 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.290 -5.181 -17.136 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.985 -3.866 -16.157 1.00 0.00 H new ATOM 697 N ILE A 47 24.687 -1.196 -17.512 1.00 0.00 N ATOM 698 CA ILE A 47 24.711 0.280 -17.447 1.00 0.00 C ATOM 699 C ILE A 47 24.576 0.884 -18.861 1.00 0.00 C ATOM 700 O ILE A 47 23.733 1.755 -19.058 1.00 0.00 O ATOM 701 CB ILE A 47 25.976 0.778 -16.710 1.00 0.00 C ATOM 702 CG1 ILE A 47 26.032 0.286 -15.242 1.00 0.00 C ATOM 703 CG2 ILE A 47 26.017 2.316 -16.681 1.00 0.00 C ATOM 704 CD1 ILE A 47 27.435 0.367 -14.633 1.00 0.00 C ATOM 0 H ILE A 47 25.476 -1.643 -17.045 1.00 0.00 H new ATOM 0 HA ILE A 47 23.854 0.623 -16.867 1.00 0.00 H new ATOM 0 HB ILE A 47 26.825 0.373 -17.261 1.00 0.00 H new ATOM 0 HG12 ILE A 47 25.346 0.881 -14.639 1.00 0.00 H new ATOM 0 HG13 ILE A 47 25.682 -0.745 -15.197 1.00 0.00 H new ATOM 0 HG21 ILE A 47 26.915 2.646 -16.158 1.00 0.00 H new ATOM 0 HG22 ILE A 47 26.030 2.699 -17.701 1.00 0.00 H new ATOM 0 HG23 ILE A 47 25.136 2.694 -16.163 1.00 0.00 H new ATOM 0 HD11 ILE A 47 27.406 0.008 -13.604 1.00 0.00 H new ATOM 0 HD12 ILE A 47 28.120 -0.251 -15.214 1.00 0.00 H new ATOM 0 HD13 ILE A 47 27.779 1.401 -14.647 1.00 0.00 H new ATOM 716 N ALA A 48 25.302 0.358 -19.856 1.00 0.00 N ATOM 717 CA ALA A 48 25.187 0.778 -21.259 1.00 0.00 C ATOM 718 C ALA A 48 23.824 0.448 -21.888 1.00 0.00 C ATOM 719 O ALA A 48 23.092 1.335 -22.324 1.00 0.00 O ATOM 720 CB ALA A 48 26.316 0.117 -22.060 1.00 0.00 C ATOM 0 H ALA A 48 25.992 -0.378 -19.708 1.00 0.00 H new ATOM 0 HA ALA A 48 25.272 1.864 -21.287 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.245 0.418 -23.105 1.00 0.00 H new ATOM 0 HB2 ALA A 48 27.279 0.429 -21.657 1.00 0.00 H new ATOM 0 HB3 ALA A 48 26.227 -0.967 -21.988 1.00 0.00 H new ATOM 726 N MET A 49 23.471 -0.840 -21.941 1.00 0.00 N ATOM 727 CA MET A 49 22.287 -1.333 -22.656 1.00 0.00 C ATOM 728 C MET A 49 20.970 -0.892 -22.016 1.00 0.00 C ATOM 729 O MET A 49 19.939 -0.905 -22.682 1.00 0.00 O ATOM 730 CB MET A 49 22.333 -2.865 -22.742 1.00 0.00 C ATOM 731 CG MET A 49 23.612 -3.412 -23.399 1.00 0.00 C ATOM 732 SD MET A 49 23.857 -3.013 -25.142 1.00 0.00 S ATOM 733 CE MET A 49 24.919 -1.550 -25.014 1.00 0.00 C ATOM 0 H MET A 49 24.005 -1.579 -21.484 1.00 0.00 H new ATOM 0 HA MET A 49 22.316 -0.894 -23.653 1.00 0.00 H new ATOM 0 HB2 MET A 49 22.246 -3.279 -21.737 1.00 0.00 H new ATOM 0 HB3 MET A 49 21.468 -3.214 -23.306 1.00 0.00 H new ATOM 0 HG2 MET A 49 24.469 -3.038 -22.840 1.00 0.00 H new ATOM 0 HG3 MET A 49 23.612 -4.497 -23.294 1.00 0.00 H new ATOM 0 HE1 MET A 49 25.245 -1.249 -26.010 1.00 0.00 H new ATOM 0 HE2 MET A 49 24.362 -0.735 -24.552 1.00 0.00 H new ATOM 0 HE3 MET A 49 25.790 -1.785 -24.403 1.00 0.00 H new ATOM 743 N MET A 50 20.984 -0.493 -20.747 1.00 0.00 N ATOM 744 CA MET A 50 19.827 0.079 -20.059 1.00 0.00 C ATOM 745 C MET A 50 19.795 1.607 -20.235 1.00 0.00 C ATOM 746 O MET A 50 18.732 2.154 -20.522 1.00 0.00 O ATOM 747 CB MET A 50 19.827 -0.397 -18.598 1.00 0.00 C ATOM 748 CG MET A 50 19.801 -1.930 -18.486 1.00 0.00 C ATOM 749 SD MET A 50 18.274 -2.728 -19.062 1.00 0.00 S ATOM 750 CE MET A 50 17.062 -1.932 -17.974 1.00 0.00 C ATOM 0 H MET A 50 21.813 -0.559 -20.157 1.00 0.00 H new ATOM 0 HA MET A 50 18.896 -0.274 -20.502 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.713 -0.013 -18.093 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.961 0.018 -18.083 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.639 -2.333 -19.055 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.963 -2.204 -17.443 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.176 -2.562 -17.893 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.498 -1.791 -16.985 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.781 -0.964 -18.389 1.00 0.00 H new ATOM 760 N GLU A 51 20.936 2.306 -20.216 1.00 0.00 N ATOM 761 CA GLU A 51 21.012 3.737 -20.571 1.00 0.00 C ATOM 762 C GLU A 51 20.531 4.012 -22.012 1.00 0.00 C ATOM 763 O GLU A 51 19.848 5.009 -22.247 1.00 0.00 O ATOM 764 CB GLU A 51 22.452 4.237 -20.347 1.00 0.00 C ATOM 765 CG GLU A 51 22.685 5.687 -20.774 1.00 0.00 C ATOM 766 CD GLU A 51 24.079 6.176 -20.333 1.00 0.00 C ATOM 767 OE1 GLU A 51 25.081 5.882 -21.030 1.00 0.00 O ATOM 768 OE2 GLU A 51 24.179 6.886 -19.302 1.00 0.00 O ATOM 0 H GLU A 51 21.835 1.900 -19.955 1.00 0.00 H new ATOM 0 HA GLU A 51 20.334 4.291 -19.921 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.699 4.137 -19.290 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.138 3.593 -20.897 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.592 5.770 -21.857 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.917 6.326 -20.338 1.00 0.00 H new ATOM 775 N GLU A 52 20.790 3.097 -22.959 1.00 0.00 N ATOM 776 CA GLU A 52 20.238 3.142 -24.326 1.00 0.00 C ATOM 777 C GLU A 52 18.697 3.221 -24.365 1.00 0.00 C ATOM 778 O GLU A 52 18.139 3.850 -25.268 1.00 0.00 O ATOM 779 CB GLU A 52 20.675 1.890 -25.104 1.00 0.00 C ATOM 780 CG GLU A 52 22.121 1.954 -25.604 1.00 0.00 C ATOM 781 CD GLU A 52 22.520 0.708 -26.417 1.00 0.00 C ATOM 782 OE1 GLU A 52 21.812 -0.328 -26.378 1.00 0.00 O ATOM 783 OE2 GLU A 52 23.562 0.747 -27.109 1.00 0.00 O ATOM 0 H GLU A 52 21.397 2.293 -22.797 1.00 0.00 H new ATOM 0 HA GLU A 52 20.628 4.053 -24.780 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.559 1.015 -24.464 1.00 0.00 H new ATOM 0 HB3 GLU A 52 20.010 1.751 -25.957 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.249 2.843 -26.221 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.792 2.058 -24.752 1.00 0.00 H new ATOM 790 N VAL A 53 18.010 2.619 -23.381 1.00 0.00 N ATOM 791 CA VAL A 53 16.541 2.692 -23.206 1.00 0.00 C ATOM 792 C VAL A 53 16.089 3.654 -22.083 1.00 0.00 C ATOM 793 O VAL A 53 14.961 3.566 -21.597 1.00 0.00 O ATOM 794 CB VAL A 53 15.901 1.285 -23.113 1.00 0.00 C ATOM 795 CG1 VAL A 53 15.988 0.569 -24.464 1.00 0.00 C ATOM 796 CG2 VAL A 53 16.570 0.400 -22.058 1.00 0.00 C ATOM 0 H VAL A 53 18.467 2.053 -22.665 1.00 0.00 H new ATOM 0 HA VAL A 53 16.151 3.149 -24.116 1.00 0.00 H new ATOM 0 HB VAL A 53 14.862 1.442 -22.823 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.534 -0.419 -24.382 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.459 1.151 -25.219 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.034 0.465 -24.754 1.00 0.00 H new ATOM 0 HG21 VAL A 53 16.081 -0.574 -22.037 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.624 0.271 -22.306 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.483 0.871 -21.079 1.00 0.00 H new ATOM 806 N GLY A 54 16.944 4.609 -21.686 1.00 0.00 N ATOM 807 CA GLY A 54 16.617 5.665 -20.706 1.00 0.00 C ATOM 808 C GLY A 54 16.764 5.259 -19.231 1.00 0.00 C ATOM 809 O GLY A 54 16.284 5.972 -18.348 1.00 0.00 O ATOM 0 H GLY A 54 17.898 4.673 -22.041 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.260 6.525 -20.895 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.591 5.990 -20.876 1.00 0.00 H new ATOM 813 N ILE A 55 17.395 4.113 -18.959 1.00 0.00 N ATOM 814 CA ILE A 55 17.461 3.447 -17.649 1.00 0.00 C ATOM 815 C ILE A 55 18.931 3.323 -17.227 1.00 0.00 C ATOM 816 O ILE A 55 19.545 2.270 -17.347 1.00 0.00 O ATOM 817 CB ILE A 55 16.721 2.087 -17.739 1.00 0.00 C ATOM 818 CG1 ILE A 55 15.236 2.256 -18.140 1.00 0.00 C ATOM 819 CG2 ILE A 55 16.766 1.339 -16.392 1.00 0.00 C ATOM 820 CD1 ILE A 55 14.568 0.973 -18.634 1.00 0.00 C ATOM 0 H ILE A 55 17.899 3.597 -19.680 1.00 0.00 H new ATOM 0 HA ILE A 55 16.960 4.028 -16.875 1.00 0.00 H new ATOM 0 HB ILE A 55 17.239 1.514 -18.508 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.681 2.634 -17.281 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.167 3.012 -18.922 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.239 0.389 -16.485 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.803 1.153 -16.114 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.287 1.945 -15.623 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.530 1.180 -18.894 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.095 0.604 -19.513 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.602 0.219 -17.847 1.00 0.00 H new ATOM 832 N ASP A 56 19.541 4.397 -16.734 1.00 0.00 N ATOM 833 CA ASP A 56 20.880 4.294 -16.144 1.00 0.00 C ATOM 834 C ASP A 56 20.821 3.506 -14.817 1.00 0.00 C ATOM 835 O ASP A 56 20.347 4.030 -13.803 1.00 0.00 O ATOM 836 CB ASP A 56 21.484 5.694 -15.958 1.00 0.00 C ATOM 837 CG ASP A 56 22.829 5.651 -15.210 1.00 0.00 C ATOM 838 OD1 ASP A 56 23.477 4.576 -15.187 1.00 0.00 O ATOM 839 OD2 ASP A 56 23.221 6.687 -14.618 1.00 0.00 O ATOM 0 H ASP A 56 19.141 5.335 -16.729 1.00 0.00 H new ATOM 0 HA ASP A 56 21.533 3.742 -16.820 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.627 6.159 -16.933 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.783 6.320 -15.406 1.00 0.00 H new ATOM 844 N ILE A 57 21.312 2.253 -14.799 1.00 0.00 N ATOM 845 CA ILE A 57 21.317 1.422 -13.584 1.00 0.00 C ATOM 846 C ILE A 57 22.534 1.685 -12.688 1.00 0.00 C ATOM 847 O ILE A 57 22.647 1.060 -11.641 1.00 0.00 O ATOM 848 CB ILE A 57 21.173 -0.087 -13.886 1.00 0.00 C ATOM 849 CG1 ILE A 57 22.392 -0.664 -14.640 1.00 0.00 C ATOM 850 CG2 ILE A 57 19.871 -0.410 -14.635 1.00 0.00 C ATOM 851 CD1 ILE A 57 22.843 -2.006 -14.055 1.00 0.00 C ATOM 0 H ILE A 57 21.712 1.794 -15.617 1.00 0.00 H new ATOM 0 HA ILE A 57 20.430 1.728 -13.028 1.00 0.00 H new ATOM 0 HB ILE A 57 21.130 -0.577 -12.913 1.00 0.00 H new ATOM 0 HG12 ILE A 57 22.140 -0.793 -15.693 1.00 0.00 H new ATOM 0 HG13 ILE A 57 23.217 0.047 -14.595 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.816 -1.482 -14.824 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.018 -0.104 -14.030 1.00 0.00 H new ATOM 0 HG23 ILE A 57 19.854 0.127 -15.583 1.00 0.00 H new ATOM 0 HD11 ILE A 57 23.702 -2.376 -14.614 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.121 -1.872 -13.010 1.00 0.00 H new ATOM 0 HD13 ILE A 57 22.027 -2.726 -14.124 1.00 0.00 H new ATOM 863 N SER A 58 23.457 2.578 -13.055 1.00 0.00 N ATOM 864 CA SER A 58 24.715 2.764 -12.317 1.00 0.00 C ATOM 865 C SER A 58 24.495 3.284 -10.879 1.00 0.00 C ATOM 866 O SER A 58 25.251 2.953 -9.963 1.00 0.00 O ATOM 867 CB SER A 58 25.617 3.697 -13.114 1.00 0.00 C ATOM 868 OG SER A 58 26.916 3.770 -12.545 1.00 0.00 O ATOM 0 H SER A 58 23.357 3.189 -13.865 1.00 0.00 H new ATOM 0 HA SER A 58 25.195 1.792 -12.205 1.00 0.00 H new ATOM 0 HB2 SER A 58 25.688 3.346 -14.143 1.00 0.00 H new ATOM 0 HB3 SER A 58 25.175 4.693 -13.147 1.00 0.00 H new ATOM 0 HG SER A 58 27.473 4.375 -13.078 1.00 0.00 H new ATOM 874 N GLY A 59 23.405 4.036 -10.659 1.00 0.00 N ATOM 875 CA GLY A 59 22.940 4.488 -9.335 1.00 0.00 C ATOM 876 C GLY A 59 21.900 3.577 -8.654 1.00 0.00 C ATOM 877 O GLY A 59 21.380 3.934 -7.598 1.00 0.00 O ATOM 0 H GLY A 59 22.804 4.356 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.804 4.580 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.512 5.485 -9.440 1.00 0.00 H new ATOM 881 N GLN A 60 21.563 2.426 -9.250 1.00 0.00 N ATOM 882 CA GLN A 60 20.541 1.482 -8.762 1.00 0.00 C ATOM 883 C GLN A 60 21.132 0.385 -7.853 1.00 0.00 C ATOM 884 O GLN A 60 22.333 0.113 -7.883 1.00 0.00 O ATOM 885 CB GLN A 60 19.767 0.904 -9.966 1.00 0.00 C ATOM 886 CG GLN A 60 18.430 1.632 -10.197 1.00 0.00 C ATOM 887 CD GLN A 60 17.741 1.160 -11.470 1.00 0.00 C ATOM 888 OE1 GLN A 60 17.211 -0.037 -11.476 1.00 0.00 O flip ATOM 889 NE2 GLN A 60 17.654 1.844 -12.473 1.00 0.00 N flip ATOM 0 H GLN A 60 22.007 2.113 -10.113 1.00 0.00 H new ATOM 0 HA GLN A 60 19.841 2.024 -8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.382 0.982 -10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.578 -0.157 -9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.772 1.464 -9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.607 2.706 -10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.060 2.780 -12.489 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.175 1.482 -13.297 1.00 0.00 H new ATOM 898 N THR A 61 20.282 -0.259 -7.041 1.00 0.00 N ATOM 899 CA THR A 61 20.720 -1.178 -5.969 1.00 0.00 C ATOM 900 C THR A 61 20.730 -2.652 -6.370 1.00 0.00 C ATOM 901 O THR A 61 20.023 -3.071 -7.287 1.00 0.00 O ATOM 902 CB THR A 61 19.902 -0.973 -4.683 1.00 0.00 C ATOM 903 OG1 THR A 61 20.573 -1.587 -3.602 1.00 0.00 O ATOM 904 CG2 THR A 61 18.478 -1.527 -4.734 1.00 0.00 C ATOM 0 H THR A 61 19.269 -0.160 -7.105 1.00 0.00 H new ATOM 0 HA THR A 61 21.760 -0.912 -5.777 1.00 0.00 H new ATOM 0 HB THR A 61 19.814 0.107 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 61 20.056 -1.457 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 61 17.979 -1.336 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 61 17.926 -1.039 -5.538 1.00 0.00 H new ATOM 0 HG23 THR A 61 18.512 -2.601 -4.917 1.00 0.00 H new ATOM 912 N SER A 62 21.535 -3.435 -5.657 1.00 0.00 N ATOM 913 CA SER A 62 21.563 -4.897 -5.693 1.00 0.00 C ATOM 914 C SER A 62 21.683 -5.412 -4.246 1.00 0.00 C ATOM 915 O SER A 62 22.447 -4.842 -3.463 1.00 0.00 O ATOM 916 CB SER A 62 22.760 -5.423 -6.489 1.00 0.00 C ATOM 917 OG SER A 62 22.572 -5.258 -7.883 1.00 0.00 O ATOM 0 H SER A 62 22.219 -3.050 -5.006 1.00 0.00 H new ATOM 0 HA SER A 62 20.650 -5.246 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.663 -4.898 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 62 22.912 -6.479 -6.264 1.00 0.00 H new ATOM 0 HG SER A 62 23.355 -5.603 -8.362 1.00 0.00 H new ATOM 923 N ASP A 63 20.995 -6.495 -3.876 1.00 0.00 N ATOM 924 CA ASP A 63 21.030 -7.089 -2.529 1.00 0.00 C ATOM 925 C ASP A 63 21.006 -8.634 -2.593 1.00 0.00 C ATOM 926 O ASP A 63 20.235 -9.199 -3.376 1.00 0.00 O ATOM 927 CB ASP A 63 19.861 -6.533 -1.694 1.00 0.00 C ATOM 928 CG ASP A 63 20.182 -6.572 -0.192 1.00 0.00 C ATOM 929 OD1 ASP A 63 20.933 -5.689 0.286 1.00 0.00 O ATOM 930 OD2 ASP A 63 19.691 -7.473 0.521 1.00 0.00 O ATOM 0 H ASP A 63 20.382 -6.998 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 63 21.966 -6.814 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.650 -5.507 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.961 -7.115 -1.891 1.00 0.00 H new ATOM 935 N PRO A 64 21.855 -9.355 -1.832 1.00 0.00 N ATOM 936 CA PRO A 64 21.944 -10.815 -1.926 1.00 0.00 C ATOM 937 C PRO A 64 20.680 -11.468 -1.328 1.00 0.00 C ATOM 938 O PRO A 64 20.126 -10.994 -0.333 1.00 0.00 O ATOM 939 CB PRO A 64 23.221 -11.197 -1.172 1.00 0.00 C ATOM 940 CG PRO A 64 23.287 -10.105 -0.108 1.00 0.00 C ATOM 941 CD PRO A 64 22.805 -8.862 -0.848 1.00 0.00 C ATOM 0 HA PRO A 64 21.994 -11.168 -2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 64 23.156 -12.193 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 64 24.097 -11.191 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 64 22.650 -10.337 0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 64 24.300 -9.978 0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 64 22.335 -8.154 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 64 23.634 -8.341 -1.326 1.00 0.00 H new ATOM 949 N ILE A 65 20.249 -12.596 -1.897 1.00 0.00 N ATOM 950 CA ILE A 65 18.945 -13.220 -1.595 1.00 0.00 C ATOM 951 C ILE A 65 18.691 -13.545 -0.110 1.00 0.00 C ATOM 952 O ILE A 65 17.543 -13.483 0.320 1.00 0.00 O ATOM 953 CB ILE A 65 18.709 -14.443 -2.512 1.00 0.00 C ATOM 954 CG1 ILE A 65 17.242 -14.915 -2.422 1.00 0.00 C ATOM 955 CG2 ILE A 65 19.686 -15.594 -2.210 1.00 0.00 C ATOM 956 CD1 ILE A 65 16.833 -15.924 -3.498 1.00 0.00 C ATOM 0 H ILE A 65 20.795 -13.112 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 65 18.199 -12.456 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 65 18.906 -14.126 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.077 -15.361 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.589 -14.045 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.481 -16.430 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.710 -15.251 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 65 19.560 -15.917 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.788 -16.201 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 65 16.962 -15.477 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.457 -16.814 -3.419 1.00 0.00 H new ATOM 968 N GLU A 66 19.720 -13.855 0.685 1.00 0.00 N ATOM 969 CA GLU A 66 19.550 -14.186 2.115 1.00 0.00 C ATOM 970 C GLU A 66 19.736 -12.990 3.071 1.00 0.00 C ATOM 971 O GLU A 66 19.423 -13.106 4.259 1.00 0.00 O ATOM 972 CB GLU A 66 20.444 -15.375 2.502 1.00 0.00 C ATOM 973 CG GLU A 66 20.022 -16.658 1.773 1.00 0.00 C ATOM 974 CD GLU A 66 20.731 -17.887 2.369 1.00 0.00 C ATOM 975 OE1 GLU A 66 21.858 -18.221 1.925 1.00 0.00 O ATOM 976 OE2 GLU A 66 20.170 -18.533 3.290 1.00 0.00 O ATOM 0 H GLU A 66 20.688 -13.885 0.365 1.00 0.00 H new ATOM 0 HA GLU A 66 18.506 -14.475 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.482 -15.144 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 66 20.393 -15.534 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.942 -16.785 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.261 -16.574 0.713 1.00 0.00 H new ATOM 983 N ASN A 67 20.207 -11.832 2.581 1.00 0.00 N ATOM 984 CA ASN A 67 20.198 -10.588 3.368 1.00 0.00 C ATOM 985 C ASN A 67 18.817 -9.926 3.285 1.00 0.00 C ATOM 986 O ASN A 67 18.292 -9.454 4.297 1.00 0.00 O ATOM 987 CB ASN A 67 21.282 -9.629 2.870 1.00 0.00 C ATOM 988 CG ASN A 67 21.300 -8.336 3.668 1.00 0.00 C ATOM 989 OD1 ASN A 67 21.771 -8.277 4.794 1.00 0.00 O ATOM 990 ND2 ASN A 67 20.770 -7.268 3.119 1.00 0.00 N ATOM 0 H ASN A 67 20.598 -11.731 1.645 1.00 0.00 H new ATOM 0 HA ASN A 67 20.410 -10.831 4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 67 22.256 -10.113 2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.113 -9.404 1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 67 20.751 -6.387 3.632 1.00 0.00 H new ATOM 0 HD22 ASN A 67 20.377 -7.319 2.179 1.00 0.00 H new ATOM 997 N PHE A 68 18.215 -9.928 2.089 1.00 0.00 N ATOM 998 CA PHE A 68 16.827 -9.531 1.899 1.00 0.00 C ATOM 999 C PHE A 68 15.869 -10.608 2.451 1.00 0.00 C ATOM 1000 O PHE A 68 16.237 -11.776 2.600 1.00 0.00 O ATOM 1001 CB PHE A 68 16.575 -9.176 0.417 1.00 0.00 C ATOM 1002 CG PHE A 68 15.373 -9.831 -0.235 1.00 0.00 C ATOM 1003 CD1 PHE A 68 14.105 -9.231 -0.166 1.00 0.00 C ATOM 1004 CD2 PHE A 68 15.524 -11.053 -0.906 1.00 0.00 C ATOM 1005 CE1 PHE A 68 13.006 -9.839 -0.796 1.00 0.00 C ATOM 1006 CE2 PHE A 68 14.423 -11.663 -1.521 1.00 0.00 C ATOM 1007 CZ PHE A 68 13.159 -11.061 -1.468 1.00 0.00 C ATOM 0 H PHE A 68 18.684 -10.207 1.227 1.00 0.00 H new ATOM 0 HA PHE A 68 16.620 -8.628 2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.460 -8.095 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 68 17.463 -9.444 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.975 -8.303 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 68 16.494 -11.526 -0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.037 -9.363 -0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.549 -12.602 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.310 -11.533 -1.940 1.00 0.00 H new ATOM 1017 N ASN A 69 14.620 -10.224 2.741 1.00 0.00 N ATOM 1018 CA ASN A 69 13.550 -11.162 3.058 1.00 0.00 C ATOM 1019 C ASN A 69 12.223 -10.733 2.409 1.00 0.00 C ATOM 1020 O ASN A 69 11.842 -9.567 2.458 1.00 0.00 O ATOM 1021 CB ASN A 69 13.452 -11.311 4.584 1.00 0.00 C ATOM 1022 CG ASN A 69 12.347 -12.274 4.966 1.00 0.00 C ATOM 1023 OD1 ASN A 69 11.320 -11.893 5.503 1.00 0.00 O ATOM 1024 ND2 ASN A 69 12.493 -13.533 4.636 1.00 0.00 N ATOM 0 H ASN A 69 14.327 -9.247 2.761 1.00 0.00 H new ATOM 0 HA ASN A 69 13.778 -12.142 2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.403 -11.668 4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.263 -10.338 5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.746 -14.200 4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.354 -13.846 4.187 1.00 0.00 H new ATOM 1031 N ALA A 70 11.504 -11.690 1.816 1.00 0.00 N ATOM 1032 CA ALA A 70 10.333 -11.457 0.966 1.00 0.00 C ATOM 1033 C ALA A 70 9.060 -10.955 1.687 1.00 0.00 C ATOM 1034 O ALA A 70 8.055 -10.710 1.025 1.00 0.00 O ATOM 1035 CB ALA A 70 10.082 -12.753 0.191 1.00 0.00 C ATOM 0 H ALA A 70 11.728 -12.680 1.918 1.00 0.00 H new ATOM 0 HA ALA A 70 10.563 -10.622 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.216 -12.627 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.957 -12.991 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.894 -13.566 0.892 1.00 0.00 H new ATOM 1041 N ASP A 71 9.075 -10.775 3.011 1.00 0.00 N ATOM 1042 CA ASP A 71 7.859 -10.486 3.794 1.00 0.00 C ATOM 1043 C ASP A 71 7.264 -9.096 3.492 1.00 0.00 C ATOM 1044 O ASP A 71 6.044 -8.921 3.487 1.00 0.00 O ATOM 1045 CB ASP A 71 8.177 -10.622 5.290 1.00 0.00 C ATOM 1046 CG ASP A 71 6.942 -10.354 6.168 1.00 0.00 C ATOM 1047 OD1 ASP A 71 6.004 -11.185 6.164 1.00 0.00 O ATOM 1048 OD2 ASP A 71 6.915 -9.322 6.884 1.00 0.00 O ATOM 0 H ASP A 71 9.925 -10.824 3.573 1.00 0.00 H new ATOM 0 HA ASP A 71 7.100 -11.212 3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.554 -11.625 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.970 -9.924 5.557 1.00 0.00 H new ATOM 1053 N ASP A 72 8.124 -8.115 3.194 1.00 0.00 N ATOM 1054 CA ASP A 72 7.727 -6.739 2.869 1.00 0.00 C ATOM 1055 C ASP A 72 7.354 -6.537 1.381 1.00 0.00 C ATOM 1056 O ASP A 72 6.967 -5.438 0.983 1.00 0.00 O ATOM 1057 CB ASP A 72 8.848 -5.790 3.322 1.00 0.00 C ATOM 1058 CG ASP A 72 8.388 -4.331 3.503 1.00 0.00 C ATOM 1059 OD1 ASP A 72 7.296 -4.088 4.071 1.00 0.00 O ATOM 1060 OD2 ASP A 72 9.165 -3.410 3.151 1.00 0.00 O ATOM 0 H ASP A 72 9.134 -8.257 3.171 1.00 0.00 H new ATOM 0 HA ASP A 72 6.808 -6.510 3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.260 -6.152 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.655 -5.819 2.590 1.00 0.00 H new ATOM 1065 N TYR A 73 7.487 -7.585 0.552 1.00 0.00 N ATOM 1066 CA TYR A 73 7.382 -7.531 -0.910 1.00 0.00 C ATOM 1067 C TYR A 73 6.259 -8.457 -1.394 1.00 0.00 C ATOM 1068 O TYR A 73 6.466 -9.644 -1.640 1.00 0.00 O ATOM 1069 CB TYR A 73 8.746 -7.853 -1.552 1.00 0.00 C ATOM 1070 CG TYR A 73 9.889 -7.025 -0.995 1.00 0.00 C ATOM 1071 CD1 TYR A 73 10.530 -7.463 0.180 1.00 0.00 C ATOM 1072 CD2 TYR A 73 10.261 -5.796 -1.575 1.00 0.00 C ATOM 1073 CE1 TYR A 73 11.527 -6.689 0.790 1.00 0.00 C ATOM 1074 CE2 TYR A 73 11.200 -4.974 -0.925 1.00 0.00 C ATOM 1075 CZ TYR A 73 11.851 -5.422 0.250 1.00 0.00 C ATOM 1076 OH TYR A 73 12.780 -4.628 0.851 1.00 0.00 O ATOM 0 H TYR A 73 7.677 -8.526 0.897 1.00 0.00 H new ATOM 0 HA TYR A 73 7.116 -6.522 -1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.968 -8.910 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.680 -7.689 -2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.249 -8.410 0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.827 -5.486 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 73 12.043 -7.057 1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.425 -3.996 -1.324 1.00 0.00 H new ATOM 0 HH TYR A 73 12.876 -3.795 0.343 1.00 0.00 H new ATOM 1086 N ASP A 74 5.053 -7.901 -1.544 1.00 0.00 N ATOM 1087 CA ASP A 74 3.844 -8.610 -1.991 1.00 0.00 C ATOM 1088 C ASP A 74 4.033 -9.347 -3.330 1.00 0.00 C ATOM 1089 O ASP A 74 3.350 -10.335 -3.600 1.00 0.00 O ATOM 1090 CB ASP A 74 2.713 -7.586 -2.185 1.00 0.00 C ATOM 1091 CG ASP A 74 2.414 -6.756 -0.931 1.00 0.00 C ATOM 1092 OD1 ASP A 74 3.197 -5.823 -0.638 1.00 0.00 O ATOM 1093 OD2 ASP A 74 1.357 -6.994 -0.298 1.00 0.00 O ATOM 0 H ASP A 74 4.883 -6.914 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 74 3.613 -9.351 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.979 -6.914 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.807 -8.111 -2.488 1.00 0.00 H new ATOM 1098 N VAL A 75 4.946 -8.847 -4.170 1.00 0.00 N ATOM 1099 CA VAL A 75 5.190 -9.323 -5.529 1.00 0.00 C ATOM 1100 C VAL A 75 6.654 -9.736 -5.687 1.00 0.00 C ATOM 1101 O VAL A 75 7.542 -8.894 -5.568 1.00 0.00 O ATOM 1102 CB VAL A 75 4.811 -8.224 -6.535 1.00 0.00 C ATOM 1103 CG1 VAL A 75 4.876 -8.750 -7.965 1.00 0.00 C ATOM 1104 CG2 VAL A 75 3.413 -7.633 -6.288 1.00 0.00 C ATOM 0 H VAL A 75 5.555 -8.072 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 75 4.572 -10.199 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 75 5.542 -7.428 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.604 -7.954 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.889 -9.090 -8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.182 -9.583 -8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.207 -6.863 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.665 -8.422 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.375 -7.194 -5.291 1.00 0.00 H new ATOM 1114 N VAL A 76 6.932 -11.005 -5.992 1.00 0.00 N ATOM 1115 CA VAL A 76 8.304 -11.521 -6.174 1.00 0.00 C ATOM 1116 C VAL A 76 8.427 -12.234 -7.519 1.00 0.00 C ATOM 1117 O VAL A 76 7.580 -13.048 -7.869 1.00 0.00 O ATOM 1118 CB VAL A 76 8.733 -12.440 -5.014 1.00 0.00 C ATOM 1119 CG1 VAL A 76 10.196 -12.874 -5.174 1.00 0.00 C ATOM 1120 CG2 VAL A 76 8.616 -11.733 -3.657 1.00 0.00 C ATOM 0 H VAL A 76 6.211 -11.714 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 76 8.984 -10.669 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 76 8.066 -13.302 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.476 -13.522 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.314 -13.415 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.838 -11.993 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.927 -12.413 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.256 -10.851 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.581 -11.432 -3.491 1.00 0.00 H new ATOM 1130 N ILE A 77 9.473 -11.936 -8.288 1.00 0.00 N ATOM 1131 CA ILE A 77 9.607 -12.368 -9.684 1.00 0.00 C ATOM 1132 C ILE A 77 10.911 -13.126 -9.915 1.00 0.00 C ATOM 1133 O ILE A 77 11.988 -12.573 -9.714 1.00 0.00 O ATOM 1134 CB ILE A 77 9.533 -11.132 -10.607 1.00 0.00 C ATOM 1135 CG1 ILE A 77 8.294 -10.242 -10.366 1.00 0.00 C ATOM 1136 CG2 ILE A 77 9.614 -11.555 -12.083 1.00 0.00 C ATOM 1137 CD1 ILE A 77 6.945 -10.928 -10.612 1.00 0.00 C ATOM 0 H ILE A 77 10.263 -11.381 -7.958 1.00 0.00 H new ATOM 0 HA ILE A 77 8.790 -13.051 -9.915 1.00 0.00 H new ATOM 0 HB ILE A 77 10.397 -10.518 -10.353 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.319 -9.881 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.363 -9.367 -11.012 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.560 -10.671 -12.718 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.556 -12.074 -12.262 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.783 -12.221 -12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.137 -10.223 -10.416 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.891 -11.264 -11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.846 -11.786 -9.947 1.00 0.00 H new ATOM 1149 N SER A 78 10.819 -14.362 -10.397 1.00 0.00 N ATOM 1150 CA SER A 78 11.964 -15.134 -10.883 1.00 0.00 C ATOM 1151 C SER A 78 12.299 -14.724 -12.317 1.00 0.00 C ATOM 1152 O SER A 78 11.429 -14.677 -13.184 1.00 0.00 O ATOM 1153 CB SER A 78 11.674 -16.633 -10.790 1.00 0.00 C ATOM 1154 OG SER A 78 12.642 -17.371 -11.507 1.00 0.00 O ATOM 0 H SER A 78 9.934 -14.865 -10.463 1.00 0.00 H new ATOM 0 HA SER A 78 12.830 -14.922 -10.256 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.671 -16.944 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.681 -16.842 -11.188 1.00 0.00 H new ATOM 0 HG SER A 78 12.366 -17.449 -12.444 1.00 0.00 H new ATOM 1160 N LEU A 79 13.575 -14.442 -12.572 1.00 0.00 N ATOM 1161 CA LEU A 79 14.130 -14.044 -13.868 1.00 0.00 C ATOM 1162 C LEU A 79 15.221 -15.021 -14.331 1.00 0.00 C ATOM 1163 O LEU A 79 16.207 -14.615 -14.938 1.00 0.00 O ATOM 1164 CB LEU A 79 14.623 -12.582 -13.764 1.00 0.00 C ATOM 1165 CG LEU A 79 13.567 -11.531 -13.375 1.00 0.00 C ATOM 1166 CD1 LEU A 79 14.229 -10.166 -13.445 1.00 0.00 C ATOM 1167 CD2 LEU A 79 12.398 -11.492 -14.341 1.00 0.00 C ATOM 0 H LEU A 79 14.288 -14.487 -11.844 1.00 0.00 H new ATOM 0 HA LEU A 79 13.360 -14.089 -14.638 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.429 -12.544 -13.031 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.052 -12.297 -14.725 1.00 0.00 H new ATOM 0 HG LEU A 79 13.195 -11.788 -12.383 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.506 -9.397 -13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.070 -10.133 -12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.587 -9.987 -14.459 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.685 -10.734 -14.018 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.760 -11.248 -15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.909 -12.466 -14.360 1.00 0.00 H new ATOM 1179 N CYS A 80 15.088 -16.303 -13.987 1.00 0.00 N ATOM 1180 CA CYS A 80 16.072 -17.348 -14.278 1.00 0.00 C ATOM 1181 C CYS A 80 15.464 -18.763 -14.254 1.00 0.00 C ATOM 1182 O CYS A 80 14.449 -19.001 -13.606 1.00 0.00 O ATOM 1183 CB CYS A 80 17.168 -17.279 -13.188 1.00 0.00 C ATOM 1184 SG CYS A 80 16.540 -17.604 -11.507 1.00 0.00 S ATOM 0 H CYS A 80 14.272 -16.653 -13.485 1.00 0.00 H new ATOM 0 HA CYS A 80 16.463 -17.173 -15.280 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.949 -18.003 -13.422 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.631 -16.292 -13.210 1.00 0.00 H new ATOM 1189 N GLY A 81 16.155 -19.746 -14.849 1.00 0.00 N ATOM 1190 CA GLY A 81 15.807 -21.171 -14.674 1.00 0.00 C ATOM 1191 C GLY A 81 16.007 -21.622 -13.210 1.00 0.00 C ATOM 1192 O GLY A 81 15.373 -22.571 -12.747 1.00 0.00 O ATOM 0 H GLY A 81 16.959 -19.584 -15.456 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.770 -21.333 -14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.424 -21.782 -15.333 1.00 0.00 H new ATOM 1196 N CYS A 82 16.814 -20.864 -12.449 1.00 0.00 N ATOM 1197 CA CYS A 82 17.009 -20.966 -10.998 1.00 0.00 C ATOM 1198 C CYS A 82 15.761 -20.664 -10.134 1.00 0.00 C ATOM 1199 O CYS A 82 15.830 -20.794 -8.915 1.00 0.00 O ATOM 1200 CB CYS A 82 18.238 -20.118 -10.596 1.00 0.00 C ATOM 1201 SG CYS A 82 18.113 -18.299 -10.405 1.00 0.00 S ATOM 0 H CYS A 82 17.380 -20.120 -12.857 1.00 0.00 H new ATOM 0 HA CYS A 82 17.196 -22.017 -10.778 1.00 0.00 H new ATOM 0 HB2 CYS A 82 18.602 -20.514 -9.648 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.013 -20.308 -11.339 1.00 0.00 H new ATOM 1206 N GLY A 83 14.607 -20.324 -10.725 1.00 0.00 N ATOM 1207 CA GLY A 83 13.344 -20.077 -10.009 1.00 0.00 C ATOM 1208 C GLY A 83 12.893 -21.220 -9.088 1.00 0.00 C ATOM 1209 O GLY A 83 12.343 -20.964 -8.019 1.00 0.00 O ATOM 0 H GLY A 83 14.522 -20.210 -11.735 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.451 -19.170 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.559 -19.887 -10.741 1.00 0.00 H new ATOM 1213 N VAL A 84 13.202 -22.476 -9.443 1.00 0.00 N ATOM 1214 CA VAL A 84 12.920 -23.669 -8.607 1.00 0.00 C ATOM 1215 C VAL A 84 13.870 -23.834 -7.403 1.00 0.00 C ATOM 1216 O VAL A 84 13.570 -24.600 -6.490 1.00 0.00 O ATOM 1217 CB VAL A 84 12.898 -24.965 -9.449 1.00 0.00 C ATOM 1218 CG1 VAL A 84 11.797 -24.921 -10.515 1.00 0.00 C ATOM 1219 CG2 VAL A 84 14.240 -25.263 -10.137 1.00 0.00 C ATOM 0 H VAL A 84 13.660 -22.702 -10.326 1.00 0.00 H new ATOM 0 HA VAL A 84 11.926 -23.491 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 84 12.697 -25.766 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.809 -25.847 -11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.827 -24.806 -10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.971 -24.078 -11.183 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.157 -26.185 -10.712 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.497 -24.441 -10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.019 -25.374 -9.383 1.00 0.00 H new ATOM 1229 N ASN A 85 14.999 -23.112 -7.378 1.00 0.00 N ATOM 1230 CA ASN A 85 15.998 -23.128 -6.298 1.00 0.00 C ATOM 1231 C ASN A 85 15.772 -22.012 -5.249 1.00 0.00 C ATOM 1232 O ASN A 85 16.407 -22.021 -4.193 1.00 0.00 O ATOM 1233 CB ASN A 85 17.397 -23.065 -6.953 1.00 0.00 C ATOM 1234 CG ASN A 85 18.539 -23.262 -5.965 1.00 0.00 C ATOM 1235 OD1 ASN A 85 19.269 -22.342 -5.626 1.00 0.00 O ATOM 1236 ND2 ASN A 85 18.745 -24.471 -5.486 1.00 0.00 N ATOM 0 H ASN A 85 15.252 -22.478 -8.136 1.00 0.00 H new ATOM 0 HA ASN A 85 15.903 -24.050 -5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 85 17.462 -23.829 -7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 85 17.516 -22.100 -7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 85 19.512 -24.638 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.138 -25.241 -5.767 1.00 0.00 H new ATOM 1243 N LEU A 86 14.856 -21.067 -5.509 1.00 0.00 N ATOM 1244 CA LEU A 86 14.465 -20.016 -4.560 1.00 0.00 C ATOM 1245 C LEU A 86 13.860 -20.627 -3.267 1.00 0.00 C ATOM 1246 O LEU A 86 13.086 -21.589 -3.363 1.00 0.00 O ATOM 1247 CB LEU A 86 13.457 -19.063 -5.230 1.00 0.00 C ATOM 1248 CG LEU A 86 13.953 -18.365 -6.507 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.849 -17.461 -7.059 1.00 0.00 C ATOM 1250 CD2 LEU A 86 15.183 -17.493 -6.268 1.00 0.00 C ATOM 0 H LEU A 86 14.359 -21.011 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 86 15.355 -19.455 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.556 -19.627 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.170 -18.299 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 86 14.220 -19.157 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.202 -16.967 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.970 -18.062 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.587 -16.710 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.486 -17.027 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 86 14.944 -16.719 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 86 15.998 -18.110 -5.889 1.00 0.00 H new ATOM 1262 N PRO A 87 14.171 -20.085 -2.068 1.00 0.00 N ATOM 1263 CA PRO A 87 13.564 -20.518 -0.797 1.00 0.00 C ATOM 1264 C PRO A 87 12.021 -20.380 -0.764 1.00 0.00 C ATOM 1265 O PRO A 87 11.460 -19.635 -1.567 1.00 0.00 O ATOM 1266 CB PRO A 87 14.240 -19.649 0.273 1.00 0.00 C ATOM 1267 CG PRO A 87 15.589 -19.282 -0.337 1.00 0.00 C ATOM 1268 CD PRO A 87 15.245 -19.129 -1.812 1.00 0.00 C ATOM 0 HA PRO A 87 13.725 -21.584 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.649 -18.761 0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.362 -20.194 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.989 -18.360 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.335 -20.059 -0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.925 -18.111 -2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.112 -19.336 -2.440 1.00 0.00 H new ATOM 1276 N PRO A 88 11.303 -21.042 0.171 1.00 0.00 N ATOM 1277 CA PRO A 88 9.835 -21.084 0.157 1.00 0.00 C ATOM 1278 C PRO A 88 9.177 -19.710 0.354 1.00 0.00 C ATOM 1279 O PRO A 88 8.391 -19.295 -0.489 1.00 0.00 O ATOM 1280 CB PRO A 88 9.437 -22.114 1.220 1.00 0.00 C ATOM 1281 CG PRO A 88 10.650 -22.196 2.147 1.00 0.00 C ATOM 1282 CD PRO A 88 11.824 -21.923 1.208 1.00 0.00 C ATOM 0 HA PRO A 88 9.467 -21.381 -0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.544 -21.801 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.214 -23.082 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.595 -21.459 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.731 -23.175 2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.651 -21.454 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 88 12.206 -22.849 0.779 1.00 0.00 H new ATOM 1290 N GLU A 89 9.536 -18.942 1.388 1.00 0.00 N ATOM 1291 CA GLU A 89 8.972 -17.590 1.604 1.00 0.00 C ATOM 1292 C GLU A 89 9.305 -16.627 0.449 1.00 0.00 C ATOM 1293 O GLU A 89 8.465 -15.827 0.038 1.00 0.00 O ATOM 1294 CB GLU A 89 9.404 -17.074 2.989 1.00 0.00 C ATOM 1295 CG GLU A 89 9.587 -15.559 3.117 1.00 0.00 C ATOM 1296 CD GLU A 89 9.505 -15.164 4.604 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.506 -15.338 5.339 1.00 0.00 O ATOM 1298 OE2 GLU A 89 8.424 -14.705 5.045 1.00 0.00 O ATOM 0 H GLU A 89 10.215 -19.227 2.094 1.00 0.00 H new ATOM 0 HA GLU A 89 7.884 -17.649 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.662 -17.393 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.344 -17.557 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.549 -15.260 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.818 -15.038 2.547 1.00 0.00 H new ATOM 1305 N TRP A 90 10.495 -16.757 -0.139 1.00 0.00 N ATOM 1306 CA TRP A 90 10.949 -16.113 -1.361 1.00 0.00 C ATOM 1307 C TRP A 90 10.180 -16.530 -2.646 1.00 0.00 C ATOM 1308 O TRP A 90 10.526 -16.081 -3.737 1.00 0.00 O ATOM 1309 CB TRP A 90 12.450 -16.409 -1.439 1.00 0.00 C ATOM 1310 CG TRP A 90 13.302 -15.843 -0.331 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.261 -14.955 -0.610 1.00 0.00 C ATOM 1312 CD2 TRP A 90 13.415 -16.069 1.127 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.903 -14.541 0.526 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.436 -15.200 1.628 1.00 0.00 C ATOM 1315 CE3 TRP A 90 12.835 -16.928 2.090 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.832 -15.148 2.968 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 13.232 -16.902 3.444 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.231 -16.020 3.888 1.00 0.00 C ATOM 0 H TRP A 90 11.215 -17.360 0.259 1.00 0.00 H new ATOM 0 HA TRP A 90 10.744 -15.043 -1.317 1.00 0.00 H new ATOM 0 HB2 TRP A 90 12.585 -17.491 -1.456 1.00 0.00 H new ATOM 0 HB3 TRP A 90 12.825 -16.026 -2.388 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.499 -14.608 -1.605 1.00 0.00 H new ATOM 0 HE1 TRP A 90 15.636 -13.832 0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 90 12.068 -17.622 1.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.589 -14.448 3.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 12.761 -17.570 4.149 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.533 -16.013 4.925 1.00 0.00 H new ATOM 1329 N VAL A 91 9.115 -17.334 -2.522 1.00 0.00 N ATOM 1330 CA VAL A 91 8.192 -17.762 -3.587 1.00 0.00 C ATOM 1331 C VAL A 91 6.729 -17.566 -3.163 1.00 0.00 C ATOM 1332 O VAL A 91 5.934 -17.054 -3.944 1.00 0.00 O ATOM 1333 CB VAL A 91 8.459 -19.233 -3.979 1.00 0.00 C ATOM 1334 CG1 VAL A 91 7.386 -19.809 -4.913 1.00 0.00 C ATOM 1335 CG2 VAL A 91 9.811 -19.380 -4.685 1.00 0.00 C ATOM 0 H VAL A 91 8.857 -17.729 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 91 8.372 -17.136 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 91 8.447 -19.786 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.629 -20.844 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.415 -19.769 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.351 -19.223 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.972 -20.425 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.817 -18.772 -5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 91 10.607 -19.047 -4.019 1.00 0.00 H new ATOM 1345 N THR A 92 6.343 -17.906 -1.929 1.00 0.00 N ATOM 1346 CA THR A 92 4.937 -17.958 -1.466 1.00 0.00 C ATOM 1347 C THR A 92 4.322 -16.597 -1.080 1.00 0.00 C ATOM 1348 O THR A 92 3.415 -16.519 -0.247 1.00 0.00 O ATOM 1349 CB THR A 92 4.765 -19.003 -0.348 1.00 0.00 C ATOM 1350 OG1 THR A 92 5.615 -18.707 0.742 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.096 -20.415 -0.847 1.00 0.00 C ATOM 0 H THR A 92 7.010 -18.160 -1.200 1.00 0.00 H new ATOM 0 HA THR A 92 4.361 -18.271 -2.337 1.00 0.00 H new ATOM 0 HB THR A 92 3.722 -18.966 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.532 -18.977 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.965 -21.129 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.430 -20.676 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.129 -20.446 -1.193 1.00 0.00 H new ATOM 1359 N GLN A 93 4.779 -15.506 -1.708 1.00 0.00 N ATOM 1360 CA GLN A 93 4.152 -14.178 -1.602 1.00 0.00 C ATOM 1361 C GLN A 93 2.884 -14.071 -2.459 1.00 0.00 C ATOM 1362 O GLN A 93 2.593 -14.940 -3.282 1.00 0.00 O ATOM 1363 CB GLN A 93 5.183 -13.075 -1.923 1.00 0.00 C ATOM 1364 CG GLN A 93 6.405 -13.103 -0.993 1.00 0.00 C ATOM 1365 CD GLN A 93 6.041 -13.117 0.494 1.00 0.00 C ATOM 1366 OE1 GLN A 93 5.169 -12.400 0.971 1.00 0.00 O ATOM 1367 NE2 GLN A 93 6.659 -13.977 1.275 1.00 0.00 N ATOM 0 H GLN A 93 5.602 -15.518 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 93 3.824 -14.034 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.516 -13.187 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.699 -12.101 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.004 -13.984 -1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.028 -12.232 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.387 -14.581 0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.410 -14.040 2.262 1.00 0.00 H new ATOM 1376 N GLU A 94 2.107 -13.006 -2.235 1.00 0.00 N ATOM 1377 CA GLU A 94 0.760 -12.843 -2.798 1.00 0.00 C ATOM 1378 C GLU A 94 0.723 -12.925 -4.337 1.00 0.00 C ATOM 1379 O GLU A 94 -0.207 -13.507 -4.903 1.00 0.00 O ATOM 1380 CB GLU A 94 0.181 -11.509 -2.301 1.00 0.00 C ATOM 1381 CG GLU A 94 -1.324 -11.436 -2.548 1.00 0.00 C ATOM 1382 CD GLU A 94 -1.916 -10.142 -1.961 1.00 0.00 C ATOM 1383 OE1 GLU A 94 -1.710 -9.055 -2.555 1.00 0.00 O ATOM 1384 OE2 GLU A 94 -2.581 -10.195 -0.898 1.00 0.00 O ATOM 0 H GLU A 94 2.398 -12.223 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 94 0.149 -13.677 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.384 -11.396 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.677 -10.682 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.523 -11.478 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.813 -12.301 -2.098 1.00 0.00 H new ATOM 1391 N ILE A 95 1.758 -12.404 -5.005 1.00 0.00 N ATOM 1392 CA ILE A 95 2.000 -12.580 -6.441 1.00 0.00 C ATOM 1393 C ILE A 95 3.420 -13.131 -6.642 1.00 0.00 C ATOM 1394 O ILE A 95 4.402 -12.508 -6.233 1.00 0.00 O ATOM 1395 CB ILE A 95 1.773 -11.263 -7.220 1.00 0.00 C ATOM 1396 CG1 ILE A 95 0.336 -10.720 -7.011 1.00 0.00 C ATOM 1397 CG2 ILE A 95 2.065 -11.469 -8.721 1.00 0.00 C ATOM 1398 CD1 ILE A 95 0.016 -9.417 -7.760 1.00 0.00 C ATOM 0 H ILE A 95 2.470 -11.833 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 95 1.284 -13.296 -6.844 1.00 0.00 H new ATOM 0 HB ILE A 95 2.466 -10.519 -6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.374 -11.485 -7.325 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.178 -10.556 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.901 -10.533 -9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.101 -11.784 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.400 -12.236 -9.119 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.011 -9.119 -7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.696 -8.632 -7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.136 -9.575 -8.832 1.00 0.00 H new ATOM 1410 N PHE A 96 3.529 -14.273 -7.324 1.00 0.00 N ATOM 1411 CA PHE A 96 4.800 -14.819 -7.796 1.00 0.00 C ATOM 1412 C PHE A 96 4.710 -15.231 -9.269 1.00 0.00 C ATOM 1413 O PHE A 96 3.708 -15.802 -9.709 1.00 0.00 O ATOM 1414 CB PHE A 96 5.299 -15.948 -6.882 1.00 0.00 C ATOM 1415 CG PHE A 96 6.589 -16.601 -7.358 1.00 0.00 C ATOM 1416 CD1 PHE A 96 7.838 -16.073 -6.977 1.00 0.00 C ATOM 1417 CD2 PHE A 96 6.544 -17.720 -8.212 1.00 0.00 C ATOM 1418 CE1 PHE A 96 9.030 -16.655 -7.447 1.00 0.00 C ATOM 1419 CE2 PHE A 96 7.733 -18.302 -8.684 1.00 0.00 C ATOM 1420 CZ PHE A 96 8.977 -17.770 -8.302 1.00 0.00 C ATOM 0 H PHE A 96 2.725 -14.851 -7.567 1.00 0.00 H new ATOM 0 HA PHE A 96 5.553 -14.033 -7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.453 -15.549 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.524 -16.710 -6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.881 -15.217 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.590 -18.133 -8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 96 9.985 -16.246 -7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.691 -19.158 -9.341 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.891 -18.217 -8.665 1.00 0.00 H new ATOM 1430 N GLU A 97 5.762 -14.931 -10.033 1.00 0.00 N ATOM 1431 CA GLU A 97 5.883 -15.254 -11.463 1.00 0.00 C ATOM 1432 C GLU A 97 7.303 -15.737 -11.787 1.00 0.00 C ATOM 1433 O GLU A 97 8.266 -15.299 -11.155 1.00 0.00 O ATOM 1434 CB GLU A 97 5.579 -14.026 -12.347 1.00 0.00 C ATOM 1435 CG GLU A 97 4.228 -13.339 -12.086 1.00 0.00 C ATOM 1436 CD GLU A 97 3.927 -12.195 -13.081 1.00 0.00 C ATOM 1437 OE1 GLU A 97 4.852 -11.724 -13.786 1.00 0.00 O ATOM 1438 OE2 GLU A 97 2.747 -11.767 -13.155 1.00 0.00 O ATOM 0 H GLU A 97 6.579 -14.442 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 97 5.158 -16.040 -11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.373 -13.293 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.614 -14.335 -13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.432 -14.082 -12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.219 -12.941 -11.071 1.00 0.00 H new ATOM 1445 N ASP A 98 7.449 -16.579 -12.813 1.00 0.00 N ATOM 1446 CA ASP A 98 8.754 -16.950 -13.378 1.00 0.00 C ATOM 1447 C ASP A 98 8.810 -16.609 -14.870 1.00 0.00 C ATOM 1448 O ASP A 98 8.086 -17.183 -15.685 1.00 0.00 O ATOM 1449 CB ASP A 98 9.073 -18.428 -13.131 1.00 0.00 C ATOM 1450 CG ASP A 98 10.438 -18.816 -13.729 1.00 0.00 C ATOM 1451 OD1 ASP A 98 11.342 -17.945 -13.782 1.00 0.00 O ATOM 1452 OD2 ASP A 98 10.590 -19.989 -14.143 1.00 0.00 O ATOM 0 H ASP A 98 6.661 -17.027 -13.280 1.00 0.00 H new ATOM 0 HA ASP A 98 9.520 -16.367 -12.867 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.074 -18.627 -12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.292 -19.049 -13.570 1.00 0.00 H new ATOM 1457 N TRP A 99 9.677 -15.662 -15.222 1.00 0.00 N ATOM 1458 CA TRP A 99 9.875 -15.198 -16.594 1.00 0.00 C ATOM 1459 C TRP A 99 10.941 -15.998 -17.350 1.00 0.00 C ATOM 1460 O TRP A 99 11.145 -15.724 -18.528 1.00 0.00 O ATOM 1461 CB TRP A 99 10.209 -13.703 -16.591 1.00 0.00 C ATOM 1462 CG TRP A 99 9.223 -12.750 -15.975 1.00 0.00 C ATOM 1463 CD1 TRP A 99 8.026 -13.031 -15.402 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.376 -11.306 -15.863 1.00 0.00 C ATOM 1465 NE1 TRP A 99 7.465 -11.866 -14.908 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.297 -10.790 -15.093 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.339 -10.386 -16.321 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.249 -9.454 -14.686 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.322 -9.047 -15.893 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.296 -8.591 -15.045 1.00 0.00 C ATOM 0 H TRP A 99 10.275 -15.185 -14.547 1.00 0.00 H new ATOM 0 HA TRP A 99 8.941 -15.362 -17.131 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.160 -13.577 -16.074 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.365 -13.396 -17.625 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.580 -14.012 -15.341 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.549 -11.814 -14.463 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.102 -10.714 -17.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.416 -9.090 -14.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 11.097 -8.368 -16.215 1.00 0.00 H new ATOM 0 HH2 TRP A 99 9.314 -7.578 -14.671 1.00 0.00 H new ATOM 1481 N GLN A 100 11.610 -16.974 -16.720 1.00 0.00 N ATOM 1482 CA GLN A 100 12.526 -17.945 -17.353 1.00 0.00 C ATOM 1483 C GLN A 100 13.574 -17.351 -18.328 1.00 0.00 C ATOM 1484 O GLN A 100 13.890 -17.937 -19.363 1.00 0.00 O ATOM 1485 CB GLN A 100 11.752 -19.186 -17.857 1.00 0.00 C ATOM 1486 CG GLN A 100 10.541 -18.985 -18.789 1.00 0.00 C ATOM 1487 CD GLN A 100 10.878 -18.672 -20.253 1.00 0.00 C ATOM 1488 OE1 GLN A 100 11.156 -19.558 -21.053 1.00 0.00 O ATOM 1489 NE2 GLN A 100 10.817 -17.428 -20.685 1.00 0.00 N ATOM 0 H GLN A 100 11.527 -17.118 -15.714 1.00 0.00 H new ATOM 0 HA GLN A 100 13.190 -18.301 -16.566 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.463 -19.829 -18.376 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.406 -19.735 -16.982 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.929 -19.887 -18.760 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.931 -18.173 -18.393 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.587 -16.674 -20.038 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.999 -17.220 -21.667 1.00 0.00 H new ATOM 1498 N LEU A 101 14.110 -16.167 -17.990 1.00 0.00 N ATOM 1499 CA LEU A 101 15.053 -15.415 -18.830 1.00 0.00 C ATOM 1500 C LEU A 101 16.460 -16.034 -18.842 1.00 0.00 C ATOM 1501 O LEU A 101 16.936 -16.549 -17.831 1.00 0.00 O ATOM 1502 CB LEU A 101 15.139 -13.950 -18.352 1.00 0.00 C ATOM 1503 CG LEU A 101 13.853 -13.110 -18.450 1.00 0.00 C ATOM 1504 CD1 LEU A 101 14.176 -11.702 -17.974 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.317 -13.003 -19.872 1.00 0.00 C ATOM 0 H LEU A 101 13.896 -15.698 -17.110 1.00 0.00 H new ATOM 0 HA LEU A 101 14.669 -15.456 -19.849 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.465 -13.951 -17.312 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.916 -13.450 -18.930 1.00 0.00 H new ATOM 0 HG LEU A 101 13.093 -13.601 -17.842 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.280 -11.084 -18.033 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.525 -11.738 -16.942 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.955 -11.274 -18.606 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.410 -12.399 -19.874 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.067 -12.534 -20.509 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.090 -13.999 -20.251 1.00 0.00 H new ATOM 1517 N GLU A 102 17.169 -15.879 -19.963 1.00 0.00 N ATOM 1518 CA GLU A 102 18.597 -16.207 -20.099 1.00 0.00 C ATOM 1519 C GLU A 102 19.492 -15.155 -19.408 1.00 0.00 C ATOM 1520 O GLU A 102 19.101 -13.997 -19.256 1.00 0.00 O ATOM 1521 CB GLU A 102 18.910 -16.360 -21.599 1.00 0.00 C ATOM 1522 CG GLU A 102 20.325 -16.876 -21.890 1.00 0.00 C ATOM 1523 CD GLU A 102 20.440 -17.392 -23.339 1.00 0.00 C ATOM 1524 OE1 GLU A 102 20.467 -16.571 -24.287 1.00 0.00 O ATOM 1525 OE2 GLU A 102 20.500 -18.631 -23.539 1.00 0.00 O ATOM 0 H GLU A 102 16.760 -15.514 -20.823 1.00 0.00 H new ATOM 0 HA GLU A 102 18.816 -17.147 -19.592 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.186 -17.043 -22.043 1.00 0.00 H new ATOM 0 HB3 GLU A 102 18.778 -15.395 -22.088 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.048 -16.077 -21.727 1.00 0.00 H new ATOM 0 HG3 GLU A 102 20.574 -17.677 -21.194 1.00 0.00 H new ATOM 1532 N ASP A 103 20.694 -15.541 -18.971 1.00 0.00 N ATOM 1533 CA ASP A 103 21.697 -14.627 -18.413 1.00 0.00 C ATOM 1534 C ASP A 103 22.462 -13.870 -19.518 1.00 0.00 C ATOM 1535 O ASP A 103 23.077 -14.511 -20.374 1.00 0.00 O ATOM 1536 CB ASP A 103 22.659 -15.391 -17.491 1.00 0.00 C ATOM 1537 CG ASP A 103 23.424 -16.533 -18.191 1.00 0.00 C ATOM 1538 OD1 ASP A 103 22.775 -17.537 -18.579 1.00 0.00 O ATOM 1539 OD2 ASP A 103 24.673 -16.465 -18.291 1.00 0.00 O ATOM 0 H ASP A 103 21.003 -16.513 -18.995 1.00 0.00 H new ATOM 0 HA ASP A 103 21.174 -13.876 -17.821 1.00 0.00 H new ATOM 0 HB2 ASP A 103 23.379 -14.688 -17.072 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.094 -15.804 -16.656 1.00 0.00 H new ATOM 1544 N PRO A 104 22.454 -12.519 -19.529 1.00 0.00 N ATOM 1545 CA PRO A 104 23.151 -11.746 -20.557 1.00 0.00 C ATOM 1546 C PRO A 104 24.574 -11.324 -20.159 1.00 0.00 C ATOM 1547 O PRO A 104 25.391 -11.036 -21.032 1.00 0.00 O ATOM 1548 CB PRO A 104 22.246 -10.537 -20.764 1.00 0.00 C ATOM 1549 CG PRO A 104 21.759 -10.234 -19.348 1.00 0.00 C ATOM 1550 CD PRO A 104 21.580 -11.637 -18.757 1.00 0.00 C ATOM 0 HA PRO A 104 23.309 -12.336 -21.460 1.00 0.00 H new ATOM 0 HB2 PRO A 104 22.788 -9.695 -21.194 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.419 -10.761 -21.437 1.00 0.00 H new ATOM 0 HG2 PRO A 104 22.484 -9.645 -18.786 1.00 0.00 H new ATOM 0 HG3 PRO A 104 20.825 -9.672 -19.351 1.00 0.00 H new ATOM 0 HD2 PRO A 104 21.847 -11.651 -17.700 1.00 0.00 H new ATOM 0 HD3 PRO A 104 20.541 -11.959 -18.827 1.00 0.00 H new ATOM 1558 N ASP A 105 24.879 -11.286 -18.857 1.00 0.00 N ATOM 1559 CA ASP A 105 26.138 -10.838 -18.263 1.00 0.00 C ATOM 1560 C ASP A 105 27.369 -11.486 -18.924 1.00 0.00 C ATOM 1561 O ASP A 105 27.675 -12.662 -18.722 1.00 0.00 O ATOM 1562 CB ASP A 105 26.106 -11.007 -16.727 1.00 0.00 C ATOM 1563 CG ASP A 105 25.323 -12.228 -16.214 1.00 0.00 C ATOM 1564 OD1 ASP A 105 24.070 -12.179 -16.294 1.00 0.00 O ATOM 1565 OD2 ASP A 105 25.948 -13.173 -15.680 1.00 0.00 O ATOM 0 H ASP A 105 24.210 -11.587 -18.148 1.00 0.00 H new ATOM 0 HA ASP A 105 26.243 -9.772 -18.465 1.00 0.00 H new ATOM 0 HB2 ASP A 105 27.132 -11.076 -16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.673 -10.108 -16.288 1.00 0.00 H new ATOM 1570 N GLY A 106 28.062 -10.692 -19.753 1.00 0.00 N ATOM 1571 CA GLY A 106 29.322 -11.069 -20.407 1.00 0.00 C ATOM 1572 C GLY A 106 29.170 -12.000 -21.618 1.00 0.00 C ATOM 1573 O GLY A 106 30.181 -12.490 -22.126 1.00 0.00 O ATOM 0 H GLY A 106 27.755 -9.749 -19.992 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.834 -10.161 -20.727 1.00 0.00 H new ATOM 0 HA3 GLY A 106 29.964 -11.555 -19.672 1.00 0.00 H new ATOM 1577 N GLN A 107 27.939 -12.250 -22.088 1.00 0.00 N ATOM 1578 CA GLN A 107 27.680 -13.155 -23.216 1.00 0.00 C ATOM 1579 C GLN A 107 27.845 -12.433 -24.561 1.00 0.00 C ATOM 1580 O GLN A 107 28.754 -12.739 -25.333 1.00 0.00 O ATOM 1581 CB GLN A 107 26.300 -13.827 -23.074 1.00 0.00 C ATOM 1582 CG GLN A 107 26.080 -14.531 -21.722 1.00 0.00 C ATOM 1583 CD GLN A 107 27.234 -15.445 -21.311 1.00 0.00 C ATOM 1584 OE1 GLN A 107 27.530 -16.446 -21.954 1.00 0.00 O ATOM 1585 NE2 GLN A 107 27.948 -15.138 -20.250 1.00 0.00 N ATOM 0 H GLN A 107 27.096 -11.830 -21.697 1.00 0.00 H new ATOM 0 HA GLN A 107 28.427 -13.949 -23.196 1.00 0.00 H new ATOM 0 HB2 GLN A 107 25.525 -13.073 -23.209 1.00 0.00 H new ATOM 0 HB3 GLN A 107 26.179 -14.556 -23.875 1.00 0.00 H new ATOM 0 HG2 GLN A 107 25.933 -13.777 -20.949 1.00 0.00 H new ATOM 0 HG3 GLN A 107 25.163 -15.118 -21.773 1.00 0.00 H new ATOM 0 HE21 GLN A 107 27.717 -14.309 -19.702 1.00 0.00 H new ATOM 0 HE22 GLN A 107 28.733 -15.729 -19.975 1.00 0.00 H new ATOM 1594 N SER A 108 26.977 -11.446 -24.814 1.00 0.00 N ATOM 1595 CA SER A 108 27.042 -10.499 -25.939 1.00 0.00 C ATOM 1596 C SER A 108 26.032 -9.379 -25.723 1.00 0.00 C ATOM 1597 O SER A 108 24.973 -9.598 -25.127 1.00 0.00 O ATOM 1598 CB SER A 108 26.734 -11.217 -27.263 1.00 0.00 C ATOM 1599 OG SER A 108 26.629 -10.286 -28.330 1.00 0.00 O ATOM 0 H SER A 108 26.171 -11.276 -24.212 1.00 0.00 H new ATOM 0 HA SER A 108 28.048 -10.083 -25.989 1.00 0.00 H new ATOM 0 HB2 SER A 108 27.520 -11.940 -27.481 1.00 0.00 H new ATOM 0 HB3 SER A 108 25.803 -11.777 -27.170 1.00 0.00 H new ATOM 0 HG SER A 108 26.434 -10.764 -29.163 1.00 0.00 H new ATOM 1605 N LEU A 109 26.304 -8.192 -26.274 1.00 0.00 N ATOM 1606 CA LEU A 109 25.354 -7.076 -26.292 1.00 0.00 C ATOM 1607 C LEU A 109 24.054 -7.469 -27.014 1.00 0.00 C ATOM 1608 O LEU A 109 22.981 -7.058 -26.594 1.00 0.00 O ATOM 1609 CB LEU A 109 26.012 -5.829 -26.917 1.00 0.00 C ATOM 1610 CG LEU A 109 26.905 -5.041 -25.937 1.00 0.00 C ATOM 1611 CD1 LEU A 109 28.195 -5.764 -25.549 1.00 0.00 C ATOM 1612 CD2 LEU A 109 27.298 -3.691 -26.541 1.00 0.00 C ATOM 0 H LEU A 109 27.195 -7.977 -26.723 1.00 0.00 H new ATOM 0 HA LEU A 109 25.081 -6.828 -25.266 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.612 -6.137 -27.774 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.232 -5.168 -27.295 1.00 0.00 H new ATOM 0 HG LEU A 109 26.301 -4.923 -25.038 1.00 0.00 H new ATOM 0 HD11 LEU A 109 28.766 -5.144 -24.858 1.00 0.00 H new ATOM 0 HD12 LEU A 109 27.951 -6.712 -25.069 1.00 0.00 H new ATOM 0 HD13 LEU A 109 28.789 -5.953 -26.443 1.00 0.00 H new ATOM 0 HD21 LEU A 109 27.928 -3.147 -25.837 1.00 0.00 H new ATOM 0 HD22 LEU A 109 27.847 -3.853 -27.469 1.00 0.00 H new ATOM 0 HD23 LEU A 109 26.400 -3.110 -26.748 1.00 0.00 H new ATOM 1624 N GLU A 110 24.112 -8.361 -28.004 1.00 0.00 N ATOM 1625 CA GLU A 110 22.922 -8.900 -28.685 1.00 0.00 C ATOM 1626 C GLU A 110 22.008 -9.691 -27.737 1.00 0.00 C ATOM 1627 O GLU A 110 20.786 -9.541 -27.777 1.00 0.00 O ATOM 1628 CB GLU A 110 23.364 -9.828 -29.821 1.00 0.00 C ATOM 1629 CG GLU A 110 24.119 -9.093 -30.937 1.00 0.00 C ATOM 1630 CD GLU A 110 24.449 -10.047 -32.101 1.00 0.00 C ATOM 1631 OE1 GLU A 110 25.528 -10.687 -32.087 1.00 0.00 O ATOM 1632 OE2 GLU A 110 23.630 -10.168 -33.046 1.00 0.00 O ATOM 0 H GLU A 110 24.990 -8.736 -28.362 1.00 0.00 H new ATOM 0 HA GLU A 110 22.357 -8.049 -29.066 1.00 0.00 H new ATOM 0 HB2 GLU A 110 24.002 -10.613 -29.414 1.00 0.00 H new ATOM 0 HB3 GLU A 110 22.487 -10.318 -30.245 1.00 0.00 H new ATOM 0 HG2 GLU A 110 23.516 -8.262 -31.303 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.040 -8.667 -30.539 1.00 0.00 H new ATOM 1639 N VAL A 111 22.584 -10.485 -26.826 1.00 0.00 N ATOM 1640 CA VAL A 111 21.819 -11.244 -25.814 1.00 0.00 C ATOM 1641 C VAL A 111 21.255 -10.272 -24.783 1.00 0.00 C ATOM 1642 O VAL A 111 20.094 -10.378 -24.394 1.00 0.00 O ATOM 1643 CB VAL A 111 22.687 -12.326 -25.136 1.00 0.00 C ATOM 1644 CG1 VAL A 111 21.915 -13.110 -24.068 1.00 0.00 C ATOM 1645 CG2 VAL A 111 23.198 -13.340 -26.166 1.00 0.00 C ATOM 0 H VAL A 111 23.593 -10.623 -26.765 1.00 0.00 H new ATOM 0 HA VAL A 111 21.000 -11.763 -26.311 1.00 0.00 H new ATOM 0 HB VAL A 111 23.514 -11.793 -24.668 1.00 0.00 H new ATOM 0 HG11 VAL A 111 22.570 -13.858 -23.622 1.00 0.00 H new ATOM 0 HG12 VAL A 111 21.566 -12.425 -23.295 1.00 0.00 H new ATOM 0 HG13 VAL A 111 21.059 -13.605 -24.527 1.00 0.00 H new ATOM 0 HG21 VAL A 111 23.807 -14.092 -25.665 1.00 0.00 H new ATOM 0 HG22 VAL A 111 22.351 -13.824 -26.652 1.00 0.00 H new ATOM 0 HG23 VAL A 111 23.800 -12.826 -26.915 1.00 0.00 H new ATOM 1655 N PHE A 112 22.046 -9.266 -24.409 1.00 0.00 N ATOM 1656 CA PHE A 112 21.649 -8.200 -23.484 1.00 0.00 C ATOM 1657 C PHE A 112 20.436 -7.417 -23.994 1.00 0.00 C ATOM 1658 O PHE A 112 19.444 -7.290 -23.283 1.00 0.00 O ATOM 1659 CB PHE A 112 22.869 -7.293 -23.233 1.00 0.00 C ATOM 1660 CG PHE A 112 23.319 -7.221 -21.795 1.00 0.00 C ATOM 1661 CD1 PHE A 112 22.512 -6.604 -20.824 1.00 0.00 C ATOM 1662 CD2 PHE A 112 24.540 -7.807 -21.425 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.928 -6.584 -19.481 1.00 0.00 C ATOM 1664 CE2 PHE A 112 24.955 -7.773 -20.088 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.161 -7.152 -19.112 1.00 0.00 C ATOM 0 H PHE A 112 23.003 -9.166 -24.748 1.00 0.00 H new ATOM 0 HA PHE A 112 21.330 -8.640 -22.539 1.00 0.00 H new ATOM 0 HB2 PHE A 112 23.700 -7.649 -23.842 1.00 0.00 H new ATOM 0 HB3 PHE A 112 22.632 -6.286 -23.576 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.576 -6.147 -21.108 1.00 0.00 H new ATOM 0 HD2 PHE A 112 25.159 -8.284 -22.171 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.298 -6.131 -18.730 1.00 0.00 H new ATOM 0 HE2 PHE A 112 25.893 -8.228 -19.806 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.494 -7.110 -18.085 1.00 0.00 H new ATOM 1675 N ARG A 113 20.463 -6.958 -25.251 1.00 0.00 N ATOM 1676 CA ARG A 113 19.336 -6.238 -25.873 1.00 0.00 C ATOM 1677 C ARG A 113 18.133 -7.161 -26.126 1.00 0.00 C ATOM 1678 O ARG A 113 17.002 -6.740 -25.904 1.00 0.00 O ATOM 1679 CB ARG A 113 19.811 -5.507 -27.146 1.00 0.00 C ATOM 1680 CG ARG A 113 20.901 -4.456 -26.859 1.00 0.00 C ATOM 1681 CD ARG A 113 21.179 -3.606 -28.107 1.00 0.00 C ATOM 1682 NE ARG A 113 22.303 -2.658 -27.911 1.00 0.00 N ATOM 1683 CZ ARG A 113 23.384 -2.540 -28.662 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.696 -3.393 -29.598 1.00 0.00 N ATOM 1685 NH2 ARG A 113 24.183 -1.534 -28.488 1.00 0.00 N ATOM 0 H ARG A 113 21.266 -7.073 -25.869 1.00 0.00 H new ATOM 0 HA ARG A 113 18.980 -5.481 -25.174 1.00 0.00 H new ATOM 0 HB2 ARG A 113 20.196 -6.238 -27.857 1.00 0.00 H new ATOM 0 HB3 ARG A 113 18.959 -5.020 -27.619 1.00 0.00 H new ATOM 0 HG2 ARG A 113 20.585 -3.812 -26.038 1.00 0.00 H new ATOM 0 HG3 ARG A 113 21.817 -4.953 -26.540 1.00 0.00 H new ATOM 0 HD2 ARG A 113 21.405 -4.263 -28.947 1.00 0.00 H new ATOM 0 HD3 ARG A 113 20.280 -3.049 -28.371 1.00 0.00 H new ATOM 0 HE ARG A 113 22.234 -2.030 -27.110 1.00 0.00 H new ATOM 0 HH11 ARG A 113 23.094 -4.196 -29.777 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.542 -3.257 -30.151 1.00 0.00 H new ATOM 0 HH21 ARG A 113 23.976 -0.836 -27.773 1.00 0.00 H new ATOM 0 HH22 ARG A 113 25.018 -1.440 -29.066 1.00 0.00 H new ATOM 1699 N THR A 114 18.367 -8.433 -26.457 1.00 0.00 N ATOM 1700 CA THR A 114 17.297 -9.455 -26.571 1.00 0.00 C ATOM 1701 C THR A 114 16.540 -9.613 -25.251 1.00 0.00 C ATOM 1702 O THR A 114 15.317 -9.460 -25.226 1.00 0.00 O ATOM 1703 CB THR A 114 17.846 -10.819 -27.040 1.00 0.00 C ATOM 1704 OG1 THR A 114 18.379 -10.700 -28.340 1.00 0.00 O ATOM 1705 CG2 THR A 114 16.774 -11.910 -27.111 1.00 0.00 C ATOM 0 H THR A 114 19.300 -8.794 -26.656 1.00 0.00 H new ATOM 0 HA THR A 114 16.602 -9.098 -27.331 1.00 0.00 H new ATOM 0 HB THR A 114 18.598 -11.103 -26.303 1.00 0.00 H new ATOM 0 HG1 THR A 114 19.205 -10.174 -28.308 1.00 0.00 H new ATOM 0 HG21 THR A 114 17.226 -12.843 -27.447 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.336 -12.054 -26.123 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.996 -11.610 -27.813 1.00 0.00 H new ATOM 1713 N VAL A 115 17.236 -9.842 -24.127 1.00 0.00 N ATOM 1714 CA VAL A 115 16.552 -10.009 -22.839 1.00 0.00 C ATOM 1715 C VAL A 115 16.010 -8.692 -22.285 1.00 0.00 C ATOM 1716 O VAL A 115 14.964 -8.728 -21.653 1.00 0.00 O ATOM 1717 CB VAL A 115 17.371 -10.813 -21.815 1.00 0.00 C ATOM 1718 CG1 VAL A 115 17.822 -12.166 -22.374 1.00 0.00 C ATOM 1719 CG2 VAL A 115 18.576 -10.068 -21.247 1.00 0.00 C ATOM 0 H VAL A 115 18.253 -9.915 -24.084 1.00 0.00 H new ATOM 0 HA VAL A 115 15.676 -10.625 -23.044 1.00 0.00 H new ATOM 0 HB VAL A 115 16.679 -10.973 -20.988 1.00 0.00 H new ATOM 0 HG11 VAL A 115 18.397 -12.699 -21.617 1.00 0.00 H new ATOM 0 HG12 VAL A 115 16.948 -12.756 -22.648 1.00 0.00 H new ATOM 0 HG13 VAL A 115 18.443 -12.007 -23.256 1.00 0.00 H new ATOM 0 HG21 VAL A 115 19.096 -10.708 -20.534 1.00 0.00 H new ATOM 0 HG22 VAL A 115 19.254 -9.802 -22.058 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.239 -9.162 -20.743 1.00 0.00 H new ATOM 1729 N ARG A 116 16.587 -7.515 -22.593 1.00 0.00 N ATOM 1730 CA ARG A 116 15.956 -6.216 -22.235 1.00 0.00 C ATOM 1731 C ARG A 116 14.583 -6.041 -22.907 1.00 0.00 C ATOM 1732 O ARG A 116 13.652 -5.579 -22.258 1.00 0.00 O ATOM 1733 CB ARG A 116 16.930 -5.016 -22.428 1.00 0.00 C ATOM 1734 CG ARG A 116 16.596 -4.080 -23.605 1.00 0.00 C ATOM 1735 CD ARG A 116 17.665 -3.013 -23.859 1.00 0.00 C ATOM 1736 NE ARG A 116 17.498 -2.441 -25.218 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.396 -1.766 -25.917 1.00 0.00 C ATOM 1738 NH1 ARG A 116 19.499 -1.363 -25.371 1.00 0.00 N ATOM 1739 NH2 ARG A 116 18.207 -1.490 -27.171 1.00 0.00 N ATOM 0 H ARG A 116 17.478 -7.429 -23.083 1.00 0.00 H new ATOM 0 HA ARG A 116 15.746 -6.231 -21.165 1.00 0.00 H new ATOM 0 HB2 ARG A 116 16.943 -4.428 -21.510 1.00 0.00 H new ATOM 0 HB3 ARG A 116 17.938 -5.406 -22.570 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.468 -4.677 -24.508 1.00 0.00 H new ATOM 0 HG3 ARG A 116 15.643 -3.589 -23.409 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.588 -2.224 -23.111 1.00 0.00 H new ATOM 0 HD3 ARG A 116 18.658 -3.451 -23.759 1.00 0.00 H new ATOM 0 HE ARG A 116 16.591 -2.584 -25.662 1.00 0.00 H new ATOM 0 HH11 ARG A 116 19.685 -1.565 -24.389 1.00 0.00 H new ATOM 0 HH12 ARG A 116 20.181 -0.844 -25.923 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.352 -1.795 -27.637 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.913 -0.968 -27.690 1.00 0.00 H new ATOM 1753 N GLY A 117 14.434 -6.474 -24.162 1.00 0.00 N ATOM 1754 CA GLY A 117 13.157 -6.439 -24.896 1.00 0.00 C ATOM 1755 C GLY A 117 12.093 -7.351 -24.277 1.00 0.00 C ATOM 1756 O GLY A 117 10.958 -6.926 -24.059 1.00 0.00 O ATOM 0 H GLY A 117 15.203 -6.864 -24.707 1.00 0.00 H new ATOM 0 HA2 GLY A 117 12.784 -5.415 -24.918 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.329 -6.738 -25.930 1.00 0.00 H new ATOM 1760 N GLN A 118 12.485 -8.569 -23.882 1.00 0.00 N ATOM 1761 CA GLN A 118 11.635 -9.479 -23.092 1.00 0.00 C ATOM 1762 C GLN A 118 11.260 -8.877 -21.734 1.00 0.00 C ATOM 1763 O GLN A 118 10.095 -8.893 -21.339 1.00 0.00 O ATOM 1764 CB GLN A 118 12.371 -10.807 -22.851 1.00 0.00 C ATOM 1765 CG GLN A 118 12.503 -11.630 -24.141 1.00 0.00 C ATOM 1766 CD GLN A 118 13.250 -12.932 -23.884 1.00 0.00 C ATOM 1767 OE1 GLN A 118 14.254 -13.250 -24.502 1.00 0.00 O ATOM 1768 NE2 GLN A 118 12.793 -13.716 -22.931 1.00 0.00 N ATOM 0 H GLN A 118 13.403 -8.956 -24.100 1.00 0.00 H new ATOM 0 HA GLN A 118 10.722 -9.644 -23.664 1.00 0.00 H new ATOM 0 HB2 GLN A 118 13.363 -10.604 -22.446 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.834 -11.389 -22.102 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.513 -11.848 -24.541 1.00 0.00 H new ATOM 0 HG3 GLN A 118 13.030 -11.047 -24.896 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.955 -13.453 -22.413 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.277 -14.586 -22.711 1.00 0.00 H new ATOM 1777 N VAL A 119 12.255 -8.324 -21.031 1.00 0.00 N ATOM 1778 CA VAL A 119 12.074 -7.712 -19.710 1.00 0.00 C ATOM 1779 C VAL A 119 11.093 -6.549 -19.796 1.00 0.00 C ATOM 1780 O VAL A 119 10.198 -6.493 -18.969 1.00 0.00 O ATOM 1781 CB VAL A 119 13.423 -7.256 -19.113 1.00 0.00 C ATOM 1782 CG1 VAL A 119 13.306 -6.286 -17.934 1.00 0.00 C ATOM 1783 CG2 VAL A 119 14.204 -8.458 -18.591 1.00 0.00 C ATOM 0 H VAL A 119 13.218 -8.288 -21.366 1.00 0.00 H new ATOM 0 HA VAL A 119 11.659 -8.465 -19.040 1.00 0.00 H new ATOM 0 HB VAL A 119 13.921 -6.745 -19.937 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.302 -6.021 -17.581 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.783 -5.385 -18.255 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.749 -6.761 -17.126 1.00 0.00 H new ATOM 0 HG21 VAL A 119 15.153 -8.122 -18.173 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.624 -8.960 -17.817 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.394 -9.152 -19.410 1.00 0.00 H new ATOM 1793 N LYS A 120 11.195 -5.656 -20.790 1.00 0.00 N ATOM 1794 CA LYS A 120 10.265 -4.523 -20.972 1.00 0.00 C ATOM 1795 C LYS A 120 8.806 -4.987 -20.998 1.00 0.00 C ATOM 1796 O LYS A 120 8.002 -4.538 -20.187 1.00 0.00 O ATOM 1797 CB LYS A 120 10.644 -3.757 -22.252 1.00 0.00 C ATOM 1798 CG LYS A 120 9.726 -2.543 -22.469 1.00 0.00 C ATOM 1799 CD LYS A 120 10.150 -1.747 -23.709 1.00 0.00 C ATOM 1800 CE LYS A 120 9.269 -0.508 -23.952 1.00 0.00 C ATOM 1801 NZ LYS A 120 7.879 -0.855 -24.373 1.00 0.00 N ATOM 0 H LYS A 120 11.929 -5.696 -21.497 1.00 0.00 H new ATOM 0 HA LYS A 120 10.355 -3.850 -20.119 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.680 -3.425 -22.186 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.577 -4.424 -23.111 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.695 -2.878 -22.583 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.756 -1.898 -21.591 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.188 -1.433 -23.596 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.106 -2.396 -24.584 1.00 0.00 H new ATOM 0 HE2 LYS A 120 9.229 0.087 -23.040 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.730 0.115 -24.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.437 -0.029 -24.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.908 -1.645 -25.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.323 -1.133 -23.539 1.00 0.00 H new ATOM 1815 N GLU A 121 8.482 -5.934 -21.879 1.00 0.00 N ATOM 1816 CA GLU A 121 7.112 -6.447 -22.039 1.00 0.00 C ATOM 1817 C GLU A 121 6.591 -7.132 -20.764 1.00 0.00 C ATOM 1818 O GLU A 121 5.467 -6.869 -20.330 1.00 0.00 O ATOM 1819 CB GLU A 121 7.074 -7.390 -23.251 1.00 0.00 C ATOM 1820 CG GLU A 121 5.654 -7.854 -23.593 1.00 0.00 C ATOM 1821 CD GLU A 121 5.640 -8.684 -24.891 1.00 0.00 C ATOM 1822 OE1 GLU A 121 5.830 -9.923 -24.826 1.00 0.00 O ATOM 1823 OE2 GLU A 121 5.436 -8.103 -25.984 1.00 0.00 O ATOM 0 H GLU A 121 9.159 -6.370 -22.504 1.00 0.00 H new ATOM 0 HA GLU A 121 6.441 -5.606 -22.215 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.504 -6.883 -24.115 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.698 -8.261 -23.049 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.255 -8.450 -22.772 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.002 -6.988 -23.704 1.00 0.00 H new ATOM 1830 N ARG A 122 7.421 -7.957 -20.111 1.00 0.00 N ATOM 1831 CA ARG A 122 7.034 -8.663 -18.877 1.00 0.00 C ATOM 1832 C ARG A 122 6.996 -7.750 -17.640 1.00 0.00 C ATOM 1833 O ARG A 122 6.121 -7.909 -16.794 1.00 0.00 O ATOM 1834 CB ARG A 122 7.922 -9.899 -18.690 1.00 0.00 C ATOM 1835 CG ARG A 122 7.627 -10.989 -19.737 1.00 0.00 C ATOM 1836 CD ARG A 122 8.336 -12.300 -19.406 1.00 0.00 C ATOM 1837 NE ARG A 122 7.769 -13.405 -20.206 1.00 0.00 N ATOM 1838 CZ ARG A 122 6.959 -14.371 -19.805 1.00 0.00 C ATOM 1839 NH1 ARG A 122 6.485 -14.427 -18.592 1.00 0.00 N ATOM 1840 NH2 ARG A 122 6.602 -15.310 -20.630 1.00 0.00 N ATOM 0 H ARG A 122 8.373 -8.154 -20.419 1.00 0.00 H new ATOM 0 HA ARG A 122 6.003 -8.999 -18.989 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.970 -9.606 -18.758 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.769 -10.306 -17.691 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.552 -11.161 -19.790 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.943 -10.643 -20.721 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.403 -12.206 -19.608 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.231 -12.520 -18.344 1.00 0.00 H new ATOM 0 HE ARG A 122 8.035 -13.426 -21.190 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.736 -13.709 -17.913 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.863 -15.189 -18.322 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.947 -15.304 -21.590 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.977 -16.053 -20.317 1.00 0.00 H new ATOM 1854 N VAL A 123 7.847 -6.726 -17.575 1.00 0.00 N ATOM 1855 CA VAL A 123 7.774 -5.658 -16.562 1.00 0.00 C ATOM 1856 C VAL A 123 6.485 -4.856 -16.723 1.00 0.00 C ATOM 1857 O VAL A 123 5.820 -4.626 -15.719 1.00 0.00 O ATOM 1858 CB VAL A 123 8.970 -4.696 -16.644 1.00 0.00 C ATOM 1859 CG1 VAL A 123 8.707 -3.431 -15.831 1.00 0.00 C ATOM 1860 CG2 VAL A 123 10.242 -5.308 -16.045 1.00 0.00 C ATOM 0 H VAL A 123 8.619 -6.608 -18.231 1.00 0.00 H new ATOM 0 HA VAL A 123 7.793 -6.149 -15.589 1.00 0.00 H new ATOM 0 HB VAL A 123 9.101 -4.483 -17.705 1.00 0.00 H new ATOM 0 HG11 VAL A 123 9.567 -2.766 -15.904 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.823 -2.925 -16.220 1.00 0.00 H new ATOM 0 HG13 VAL A 123 8.542 -3.697 -14.787 1.00 0.00 H new ATOM 0 HG21 VAL A 123 11.062 -4.594 -16.124 1.00 0.00 H new ATOM 0 HG22 VAL A 123 10.071 -5.549 -14.996 1.00 0.00 H new ATOM 0 HG23 VAL A 123 10.499 -6.217 -16.589 1.00 0.00 H new ATOM 1870 N GLU A 124 6.131 -4.420 -17.941 1.00 0.00 N ATOM 1871 CA GLU A 124 4.869 -3.702 -18.194 1.00 0.00 C ATOM 1872 C GLU A 124 3.700 -4.535 -17.664 1.00 0.00 C ATOM 1873 O GLU A 124 2.972 -4.087 -16.785 1.00 0.00 O ATOM 1874 CB GLU A 124 4.654 -3.421 -19.698 1.00 0.00 C ATOM 1875 CG GLU A 124 5.462 -2.233 -20.226 1.00 0.00 C ATOM 1876 CD GLU A 124 5.181 -1.955 -21.717 1.00 0.00 C ATOM 1877 OE1 GLU A 124 4.015 -1.666 -22.078 1.00 0.00 O ATOM 1878 OE2 GLU A 124 6.134 -1.987 -22.536 1.00 0.00 O ATOM 0 H GLU A 124 6.705 -4.553 -18.774 1.00 0.00 H new ATOM 0 HA GLU A 124 4.922 -2.742 -17.680 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.922 -4.312 -20.266 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.595 -3.236 -19.876 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.223 -1.345 -19.641 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.525 -2.429 -20.089 1.00 0.00 H new ATOM 1885 N ASN A 125 3.606 -5.783 -18.123 1.00 0.00 N ATOM 1886 CA ASN A 125 2.630 -6.784 -17.689 1.00 0.00 C ATOM 1887 C ASN A 125 2.559 -6.903 -16.149 1.00 0.00 C ATOM 1888 O ASN A 125 1.464 -6.999 -15.604 1.00 0.00 O ATOM 1889 CB ASN A 125 3.016 -8.112 -18.380 1.00 0.00 C ATOM 1890 CG ASN A 125 2.068 -9.289 -18.175 1.00 0.00 C ATOM 1891 OD1 ASN A 125 0.990 -9.195 -17.609 1.00 0.00 O ATOM 1892 ND2 ASN A 125 2.449 -10.456 -18.655 1.00 0.00 N ATOM 0 H ASN A 125 4.237 -6.140 -18.840 1.00 0.00 H new ATOM 0 HA ASN A 125 1.621 -6.492 -17.982 1.00 0.00 H new ATOM 0 HB2 ASN A 125 3.102 -7.926 -19.451 1.00 0.00 H new ATOM 0 HB3 ASN A 125 4.005 -8.405 -18.027 1.00 0.00 H new ATOM 0 HD21 ASN A 125 1.845 -11.271 -18.552 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.348 -10.544 -19.129 1.00 0.00 H new ATOM 1899 N LEU A 126 3.688 -6.827 -15.432 1.00 0.00 N ATOM 1900 CA LEU A 126 3.740 -6.926 -13.969 1.00 0.00 C ATOM 1901 C LEU A 126 3.395 -5.623 -13.242 1.00 0.00 C ATOM 1902 O LEU A 126 2.421 -5.576 -12.495 1.00 0.00 O ATOM 1903 CB LEU A 126 5.123 -7.482 -13.579 1.00 0.00 C ATOM 1904 CG LEU A 126 5.341 -7.898 -12.116 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.703 -6.740 -11.184 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.135 -8.644 -11.548 1.00 0.00 C ATOM 0 H LEU A 126 4.604 -6.693 -15.859 1.00 0.00 H new ATOM 0 HA LEU A 126 2.958 -7.610 -13.639 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.325 -8.349 -14.208 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.870 -6.728 -13.828 1.00 0.00 H new ATOM 0 HG LEU A 126 6.202 -8.566 -12.152 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.840 -7.118 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.627 -6.273 -11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.900 -6.003 -11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.332 -8.919 -10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.256 -8.001 -11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.955 -9.545 -12.135 1.00 0.00 H new ATOM 1918 N ILE A 127 4.173 -4.552 -13.437 1.00 0.00 N ATOM 1919 CA ILE A 127 4.021 -3.273 -12.732 1.00 0.00 C ATOM 1920 C ILE A 127 2.631 -2.654 -12.974 1.00 0.00 C ATOM 1921 O ILE A 127 2.057 -2.022 -12.090 1.00 0.00 O ATOM 1922 CB ILE A 127 5.206 -2.360 -13.150 1.00 0.00 C ATOM 1923 CG1 ILE A 127 5.867 -1.635 -11.961 1.00 0.00 C ATOM 1924 CG2 ILE A 127 4.889 -1.383 -14.293 1.00 0.00 C ATOM 1925 CD1 ILE A 127 4.922 -0.780 -11.113 1.00 0.00 C ATOM 0 H ILE A 127 4.944 -4.550 -14.105 1.00 0.00 H new ATOM 0 HA ILE A 127 4.064 -3.414 -11.652 1.00 0.00 H new ATOM 0 HB ILE A 127 5.937 -3.061 -13.551 1.00 0.00 H new ATOM 0 HG12 ILE A 127 6.335 -2.379 -11.317 1.00 0.00 H new ATOM 0 HG13 ILE A 127 6.664 -0.997 -12.343 1.00 0.00 H new ATOM 0 HG21 ILE A 127 5.773 -0.787 -14.518 1.00 0.00 H new ATOM 0 HG22 ILE A 127 4.595 -1.944 -15.180 1.00 0.00 H new ATOM 0 HG23 ILE A 127 4.074 -0.724 -13.993 1.00 0.00 H new ATOM 0 HD11 ILE A 127 5.482 -0.313 -10.303 1.00 0.00 H new ATOM 0 HD12 ILE A 127 4.472 -0.007 -11.736 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.138 -1.411 -10.695 1.00 0.00 H new ATOM 1937 N ALA A 128 2.042 -2.917 -14.143 1.00 0.00 N ATOM 1938 CA ALA A 128 0.731 -2.403 -14.542 1.00 0.00 C ATOM 1939 C ALA A 128 -0.468 -3.157 -13.902 1.00 0.00 C ATOM 1940 O ALA A 128 -1.617 -2.752 -14.092 1.00 0.00 O ATOM 1941 CB ALA A 128 0.693 -2.330 -16.075 1.00 0.00 C ATOM 0 H ALA A 128 2.474 -3.507 -14.854 1.00 0.00 H new ATOM 0 HA ALA A 128 0.604 -1.397 -14.141 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.276 -1.949 -16.397 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.480 -1.663 -16.427 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.848 -3.326 -16.491 1.00 0.00 H new ATOM 1947 N LYS A 129 -0.225 -4.221 -13.109 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.247 -4.884 -12.261 1.00 0.00 C ATOM 1949 C LYS A 129 -1.519 -4.117 -10.956 1.00 0.00 C ATOM 1950 O LYS A 129 -2.557 -4.320 -10.326 1.00 0.00 O ATOM 1951 CB LYS A 129 -0.814 -6.325 -11.922 1.00 0.00 C ATOM 1952 CG LYS A 129 -0.840 -7.243 -13.145 1.00 0.00 C ATOM 1953 CD LYS A 129 -0.221 -8.617 -12.840 1.00 0.00 C ATOM 1954 CE LYS A 129 -0.149 -9.421 -14.145 1.00 0.00 C ATOM 1955 NZ LYS A 129 0.256 -10.840 -13.924 1.00 0.00 N ATOM 0 H LYS A 129 0.697 -4.652 -13.036 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.170 -4.897 -12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 129 0.192 -6.310 -11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.473 -6.729 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -1.869 -7.374 -13.479 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.296 -6.773 -13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.775 -8.497 -12.414 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.822 -9.147 -12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.122 -9.397 -14.636 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.561 -8.946 -14.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 0.126 -11.379 -14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.256 -10.875 -13.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.332 -11.256 -13.174 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.573 -3.264 -10.553 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.510 -2.582 -9.243 1.00 0.00 C ATOM 1971 C ILE A 130 -0.363 -1.048 -9.356 1.00 0.00 C ATOM 1972 O ILE A 130 -0.066 -0.372 -8.366 1.00 0.00 O ATOM 1973 CB ILE A 130 0.588 -3.226 -8.359 1.00 0.00 C ATOM 1974 CG1 ILE A 130 1.963 -3.221 -9.068 1.00 0.00 C ATOM 1975 CG2 ILE A 130 0.162 -4.645 -7.939 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.084 -3.897 -8.278 1.00 0.00 C ATOM 0 H ILE A 130 0.211 -3.013 -11.156 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.472 -2.728 -8.751 1.00 0.00 H new ATOM 0 HB ILE A 130 0.703 -2.626 -7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.863 -3.720 -10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.250 -2.189 -9.271 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.940 -5.090 -7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.768 -4.593 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.013 -5.258 -8.828 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.012 -3.848 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.217 -3.386 -7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.824 -4.940 -8.097 1.00 0.00 H new ATOM 1988 N SER A 131 -0.585 -0.496 -10.557 1.00 0.00 N ATOM 1989 CA SER A 131 -0.649 0.948 -10.842 1.00 0.00 C ATOM 1990 C SER A 131 -1.974 1.611 -10.420 1.00 0.00 C ATOM 1991 O SER A 131 -2.997 0.911 -10.217 1.00 0.00 O ATOM 1992 CB SER A 131 -0.345 1.205 -12.322 1.00 0.00 C ATOM 1993 OG SER A 131 -1.205 0.432 -13.153 1.00 0.00 O ATOM 1994 OXT SER A 131 -1.980 2.856 -10.267 1.00 0.00 O ATOM 0 H SER A 131 -0.731 -1.064 -11.391 1.00 0.00 H new ATOM 0 HA SER A 131 0.116 1.421 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.470 2.264 -12.546 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.695 0.955 -12.534 1.00 0.00 H new ATOM 0 HG SER A 131 -0.997 0.610 -14.094 1.00 0.00 H new TER 2000 SER A 131