USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 7 LYS NZ :NH3+ -123:sc= -0.947 (180deg=-1.47) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.642 K(o=-1.6,f=-14!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.237 K(o=-0.23,f=-1.9) USER MOD Set 2.2: A 79 THR OG1 : rot 130:sc= 0.00842 USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= 0.865 (180deg=0.577) USER MOD Single : A 13 TYR OH : rot 130:sc= 0 USER MOD Single : A 15 MET CE :methyl 148:sc= -0.267 (180deg=-2.36!) USER MOD Single : A 22 SER OG : rot -42:sc= 0.475 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -20:sc= -0.994 USER MOD Single : A 41 ASN : amide:sc= -0.0476 K(o=-0.048,f=-2.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -167:sc= -0.0439 (180deg=-0.296) USER MOD Single : A 44 ASN : amide:sc= -4.76! C(o=-4.8!,f=-3.6!) USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= 0.259 (180deg=-1.89!) USER MOD Single : A 49 MET CE :methyl -133:sc= -0.303 (180deg=-2.01!) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.0438 USER MOD Single : A 56 MET CE :methyl 175:sc= -1.99! (180deg=-2.06!) USER MOD Single : A 59 SER OG : rot 38:sc= 0.244 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0745 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -8:sc= 0.327 USER MOD Single : A 82 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.32) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 0.511 (180deg=0.405) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 12.780 1.358 0.213 1.00 0.00 N ATOM 40 CA GLU A 4 12.378 0.816 1.531 1.00 0.00 C ATOM 41 C GLU A 4 11.468 1.806 2.291 1.00 0.00 C ATOM 42 O GLU A 4 10.748 1.406 3.211 1.00 0.00 O ATOM 43 CB GLU A 4 13.638 0.476 2.369 1.00 0.00 C ATOM 44 CG GLU A 4 14.540 1.691 2.665 1.00 0.00 C ATOM 45 CD GLU A 4 15.875 1.303 3.322 1.00 0.00 C ATOM 46 OE1 GLU A 4 16.844 1.029 2.587 1.00 0.00 O ATOM 47 OE2 GLU A 4 15.959 1.262 4.567 1.00 0.00 O ATOM 0 HA GLU A 4 11.805 -0.096 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.325 0.030 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.222 -0.277 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.740 2.223 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.007 2.381 3.319 1.00 0.00 H new ATOM 54 N GLU A 5 11.503 3.091 1.895 1.00 0.00 N ATOM 55 CA GLU A 5 10.738 4.152 2.563 1.00 0.00 C ATOM 56 C GLU A 5 9.245 4.033 2.231 1.00 0.00 C ATOM 57 O GLU A 5 8.406 4.159 3.123 1.00 0.00 O ATOM 58 CB GLU A 5 11.264 5.535 2.140 1.00 0.00 C ATOM 59 CG GLU A 5 10.644 6.724 2.899 1.00 0.00 C ATOM 60 CD GLU A 5 11.169 8.069 2.395 1.00 0.00 C ATOM 61 OE1 GLU A 5 12.244 8.520 2.844 1.00 0.00 O ATOM 62 OE2 GLU A 5 10.528 8.666 1.514 1.00 0.00 O ATOM 0 H GLU A 5 12.060 3.419 1.106 1.00 0.00 H new ATOM 0 HA GLU A 5 10.864 4.040 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.345 5.556 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.080 5.667 1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.560 6.696 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.861 6.627 3.963 1.00 0.00 H new ATOM 69 N VAL A 6 8.930 3.792 0.938 1.00 0.00 N ATOM 70 CA VAL A 6 7.531 3.606 0.478 1.00 0.00 C ATOM 71 C VAL A 6 6.901 2.374 1.160 1.00 0.00 C ATOM 72 O VAL A 6 5.727 2.404 1.547 1.00 0.00 O ATOM 73 CB VAL A 6 7.433 3.493 -1.098 1.00 0.00 C ATOM 74 CG1 VAL A 6 8.332 2.369 -1.660 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.967 3.314 -1.568 1.00 0.00 C ATOM 0 H VAL A 6 9.624 3.721 0.194 1.00 0.00 H new ATOM 0 HA VAL A 6 6.968 4.493 0.768 1.00 0.00 H new ATOM 0 HB VAL A 6 7.802 4.436 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.231 2.330 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.371 2.570 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.029 1.413 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.940 3.240 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.554 2.404 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.375 4.171 -1.248 1.00 0.00 H new ATOM 85 N LYS A 7 7.722 1.325 1.353 1.00 0.00 N ATOM 86 CA LYS A 7 7.321 0.108 2.066 1.00 0.00 C ATOM 87 C LYS A 7 6.923 0.443 3.524 1.00 0.00 C ATOM 88 O LYS A 7 5.819 0.109 3.959 1.00 0.00 O ATOM 89 CB LYS A 7 8.481 -0.934 2.004 1.00 0.00 C ATOM 90 CG LYS A 7 8.668 -1.608 0.606 1.00 0.00 C ATOM 91 CD LYS A 7 10.140 -1.963 0.265 1.00 0.00 C ATOM 92 CE LYS A 7 10.816 -2.896 1.282 1.00 0.00 C ATOM 93 NZ LYS A 7 10.206 -4.238 1.301 1.00 0.00 N ATOM 0 H LYS A 7 8.684 1.302 1.016 1.00 0.00 H new ATOM 0 HA LYS A 7 6.445 -0.329 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.412 -0.441 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.296 -1.710 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.069 -2.518 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.279 -0.940 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.170 -2.433 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.717 -1.041 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.876 -2.984 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.750 -2.455 2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.878 -4.457 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.398 -4.261 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.911 -4.944 1.006 1.00 0.00 H new ATOM 107 N GLU A 8 7.809 1.158 4.236 1.00 0.00 N ATOM 108 CA GLU A 8 7.594 1.569 5.629 1.00 0.00 C ATOM 109 C GLU A 8 6.359 2.487 5.779 1.00 0.00 C ATOM 110 O GLU A 8 5.563 2.306 6.704 1.00 0.00 O ATOM 111 CB GLU A 8 8.889 2.260 6.125 1.00 0.00 C ATOM 112 CG GLU A 8 8.781 3.027 7.455 1.00 0.00 C ATOM 113 CD GLU A 8 8.516 2.141 8.687 1.00 0.00 C ATOM 114 OE1 GLU A 8 9.486 1.613 9.278 1.00 0.00 O ATOM 115 OE2 GLU A 8 7.345 1.967 9.074 1.00 0.00 O ATOM 0 H GLU A 8 8.703 1.469 3.855 1.00 0.00 H new ATOM 0 HA GLU A 8 7.382 0.693 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.665 1.501 6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.224 2.955 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.705 3.582 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.979 3.760 7.372 1.00 0.00 H new ATOM 122 N LYS A 9 6.201 3.442 4.853 1.00 0.00 N ATOM 123 CA LYS A 9 5.086 4.405 4.876 1.00 0.00 C ATOM 124 C LYS A 9 3.732 3.678 4.843 1.00 0.00 C ATOM 125 O LYS A 9 2.900 3.846 5.751 1.00 0.00 O ATOM 126 CB LYS A 9 5.189 5.390 3.680 1.00 0.00 C ATOM 127 CG LYS A 9 6.236 6.512 3.858 1.00 0.00 C ATOM 128 CD LYS A 9 6.261 7.475 2.649 1.00 0.00 C ATOM 129 CE LYS A 9 7.185 8.680 2.875 1.00 0.00 C ATOM 130 NZ LYS A 9 6.727 9.527 4.010 1.00 0.00 N ATOM 0 H LYS A 9 6.839 3.571 4.068 1.00 0.00 H new ATOM 0 HA LYS A 9 5.152 4.971 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.432 4.824 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.212 5.845 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.015 7.074 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.223 6.069 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.588 6.932 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.250 7.829 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.198 8.329 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.226 9.281 1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.224 10.440 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.702 9.688 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.934 9.046 4.908 1.00 0.00 H new ATOM 144 N ILE A 10 3.542 2.849 3.805 1.00 0.00 N ATOM 145 CA ILE A 10 2.267 2.169 3.560 1.00 0.00 C ATOM 146 C ILE A 10 1.973 1.156 4.682 1.00 0.00 C ATOM 147 O ILE A 10 0.837 1.100 5.163 1.00 0.00 O ATOM 148 CB ILE A 10 2.259 1.468 2.159 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.585 2.489 1.022 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.904 0.760 1.881 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.796 1.866 -0.355 1.00 0.00 C ATOM 0 H ILE A 10 4.264 2.634 3.118 1.00 0.00 H new ATOM 0 HA ILE A 10 1.477 2.920 3.558 1.00 0.00 H new ATOM 0 HB ILE A 10 3.037 0.705 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.772 3.212 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.483 3.043 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.936 0.285 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.725 0.003 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.099 1.494 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.017 2.650 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.630 1.165 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.892 1.337 -0.657 1.00 0.00 H new ATOM 163 N ARG A 11 3.030 0.424 5.150 1.00 0.00 N ATOM 164 CA ARG A 11 2.885 -0.633 6.177 1.00 0.00 C ATOM 165 C ARG A 11 2.379 -0.014 7.484 1.00 0.00 C ATOM 166 O ARG A 11 1.565 -0.608 8.195 1.00 0.00 O ATOM 167 CB ARG A 11 4.234 -1.422 6.398 1.00 0.00 C ATOM 168 CG ARG A 11 5.311 -0.808 7.347 1.00 0.00 C ATOM 169 CD ARG A 11 5.154 -1.195 8.844 1.00 0.00 C ATOM 170 NE ARG A 11 6.125 -2.226 9.277 1.00 0.00 N ATOM 171 CZ ARG A 11 7.346 -1.982 9.782 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.774 -0.737 9.892 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.114 -2.990 10.180 1.00 0.00 N ATOM 0 H ARG A 11 3.988 0.554 4.826 1.00 0.00 H new ATOM 0 HA ARG A 11 2.153 -1.360 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.981 -2.411 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.697 -1.567 5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.298 -1.122 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.275 0.278 7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.279 -0.304 9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.142 -1.561 9.015 1.00 0.00 H new ATOM 0 HE ARG A 11 5.844 -3.202 9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.178 0.035 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.700 -0.548 10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.777 -3.950 10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.041 -2.805 10.563 1.00 0.00 H new ATOM 187 N ARG A 12 2.869 1.203 7.763 1.00 0.00 N ATOM 188 CA ARG A 12 2.636 1.898 9.018 1.00 0.00 C ATOM 189 C ARG A 12 1.223 2.451 9.035 1.00 0.00 C ATOM 190 O ARG A 12 0.570 2.403 10.065 1.00 0.00 O ATOM 191 CB ARG A 12 3.717 3.016 9.209 1.00 0.00 C ATOM 192 CG ARG A 12 4.363 3.093 10.609 1.00 0.00 C ATOM 193 CD ARG A 12 4.825 1.706 11.113 1.00 0.00 C ATOM 194 NE ARG A 12 5.959 1.784 12.054 1.00 0.00 N ATOM 195 CZ ARG A 12 6.536 0.724 12.656 1.00 0.00 C ATOM 196 NH1 ARG A 12 6.088 -0.505 12.434 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.588 0.889 13.441 1.00 0.00 N ATOM 0 H ARG A 12 3.445 1.731 7.108 1.00 0.00 H new ATOM 0 HA ARG A 12 2.729 1.209 9.857 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.506 2.862 8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.259 3.980 8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.217 3.770 10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.648 3.515 11.315 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.989 1.206 11.601 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.110 1.091 10.259 1.00 0.00 H new ATOM 0 HE ARG A 12 6.334 2.709 12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.300 -0.655 11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.531 -1.300 12.894 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.968 1.823 13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.019 0.082 13.893 1.00 0.00 H new ATOM 211 N TYR A 13 0.747 2.927 7.870 1.00 0.00 N ATOM 212 CA TYR A 13 -0.623 3.447 7.724 1.00 0.00 C ATOM 213 C TYR A 13 -1.671 2.343 7.938 1.00 0.00 C ATOM 214 O TYR A 13 -2.786 2.612 8.411 1.00 0.00 O ATOM 215 CB TYR A 13 -0.817 4.087 6.346 1.00 0.00 C ATOM 216 CG TYR A 13 -2.164 4.801 6.197 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.443 5.946 6.947 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.147 4.341 5.320 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.642 6.605 6.822 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.347 4.996 5.198 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.591 6.130 5.947 1.00 0.00 C ATOM 222 OH TYR A 13 -5.793 6.789 5.820 1.00 0.00 O ATOM 0 H TYR A 13 1.296 2.962 7.011 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.765 4.207 8.493 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.013 4.801 6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.735 3.316 5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.702 6.320 7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.961 3.457 4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.838 7.491 7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.099 4.625 4.517 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.980 6.949 4.871 1.00 0.00 H new ATOM 232 N ILE A 14 -1.309 1.101 7.578 1.00 0.00 N ATOM 233 CA ILE A 14 -2.164 -0.068 7.824 1.00 0.00 C ATOM 234 C ILE A 14 -2.295 -0.310 9.345 1.00 0.00 C ATOM 235 O ILE A 14 -3.316 -0.786 9.816 1.00 0.00 O ATOM 236 CB ILE A 14 -1.607 -1.346 7.099 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.369 -1.056 5.582 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.564 -2.558 7.275 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.455 -2.045 4.883 1.00 0.00 C ATOM 0 H ILE A 14 -0.427 0.882 7.114 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.153 0.134 7.412 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.653 -1.601 7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.332 -1.049 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.947 -0.056 5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.150 -3.426 6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.675 -2.783 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.539 -2.317 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.348 -1.764 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.524 -2.037 5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.883 -3.045 4.949 1.00 0.00 H new ATOM 251 N MET A 15 -1.248 0.058 10.090 1.00 0.00 N ATOM 252 CA MET A 15 -1.208 -0.047 11.564 1.00 0.00 C ATOM 253 C MET A 15 -1.906 1.160 12.245 1.00 0.00 C ATOM 254 O MET A 15 -2.441 1.029 13.352 1.00 0.00 O ATOM 255 CB MET A 15 0.274 -0.129 12.015 1.00 0.00 C ATOM 256 CG MET A 15 1.074 -1.241 11.324 1.00 0.00 C ATOM 257 SD MET A 15 2.843 -1.167 11.668 1.00 0.00 S ATOM 258 CE MET A 15 2.838 -1.271 13.448 1.00 0.00 C ATOM 0 H MET A 15 -0.392 0.442 9.689 1.00 0.00 H new ATOM 0 HA MET A 15 -1.748 -0.945 11.866 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.757 0.828 11.818 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.307 -0.287 13.093 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.689 -2.209 11.645 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.917 -1.176 10.247 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.736 -1.789 13.785 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.818 -0.267 13.871 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.957 -1.821 13.778 1.00 0.00 H new ATOM 268 N GLU A 16 -1.868 2.331 11.571 1.00 0.00 N ATOM 269 CA GLU A 16 -2.396 3.606 12.110 1.00 0.00 C ATOM 270 C GLU A 16 -3.920 3.719 11.928 1.00 0.00 C ATOM 271 O GLU A 16 -4.653 3.991 12.880 1.00 0.00 O ATOM 272 CB GLU A 16 -1.719 4.817 11.409 1.00 0.00 C ATOM 273 CG GLU A 16 -0.202 4.941 11.624 1.00 0.00 C ATOM 274 CD GLU A 16 0.189 5.155 13.093 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.105 6.306 13.574 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.593 4.184 13.769 1.00 0.00 O ATOM 0 H GLU A 16 -1.470 2.420 10.636 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.169 3.615 13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.913 4.750 10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.195 5.732 11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.285 4.039 11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.175 5.774 11.030 1.00 0.00 H new ATOM 283 N ASP A 17 -4.364 3.576 10.680 1.00 0.00 N ATOM 284 CA ASP A 17 -5.757 3.846 10.278 1.00 0.00 C ATOM 285 C ASP A 17 -6.584 2.560 10.191 1.00 0.00 C ATOM 286 O ASP A 17 -7.638 2.448 10.832 1.00 0.00 O ATOM 287 CB ASP A 17 -5.760 4.571 8.908 1.00 0.00 C ATOM 288 CG ASP A 17 -7.160 5.019 8.443 1.00 0.00 C ATOM 289 OD1 ASP A 17 -7.698 5.977 9.032 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.724 4.427 7.496 1.00 0.00 O ATOM 0 H ASP A 17 -3.770 3.268 9.910 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.215 4.478 11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.111 5.445 8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.333 3.908 8.156 1.00 0.00 H new ATOM 295 N LEU A 18 -6.090 1.600 9.385 1.00 0.00 N ATOM 296 CA LEU A 18 -6.853 0.401 8.981 1.00 0.00 C ATOM 297 C LEU A 18 -7.090 -0.552 10.167 1.00 0.00 C ATOM 298 O LEU A 18 -8.232 -0.891 10.497 1.00 0.00 O ATOM 299 CB LEU A 18 -6.109 -0.329 7.836 1.00 0.00 C ATOM 300 CG LEU A 18 -5.698 0.554 6.610 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.065 -0.304 5.503 1.00 0.00 C ATOM 302 CD2 LEU A 18 -6.875 1.384 6.061 1.00 0.00 C ATOM 0 H LEU A 18 -5.148 1.634 8.994 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.832 0.725 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.209 -0.785 8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.742 -1.141 7.478 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.951 1.263 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.788 0.333 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.175 -0.800 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.782 -1.054 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.537 1.978 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.674 0.715 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.248 2.047 6.842 1.00 0.00 H new ATOM 314 N ILE A 19 -5.990 -0.982 10.781 1.00 0.00 N ATOM 315 CA ILE A 19 -6.001 -1.872 11.951 1.00 0.00 C ATOM 316 C ILE A 19 -5.784 -1.025 13.217 1.00 0.00 C ATOM 317 O ILE A 19 -5.214 0.070 13.141 1.00 0.00 O ATOM 318 CB ILE A 19 -4.873 -2.964 11.814 1.00 0.00 C ATOM 319 CG1 ILE A 19 -4.945 -3.658 10.413 1.00 0.00 C ATOM 320 CG2 ILE A 19 -4.938 -4.020 12.946 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.846 -4.680 10.160 1.00 0.00 C ATOM 0 H ILE A 19 -5.051 -0.721 10.480 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.960 -2.386 12.018 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.916 -2.450 11.906 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.912 -4.151 10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.897 -2.892 9.639 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.141 -4.751 12.808 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.816 -3.527 13.911 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.903 -4.526 12.917 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.972 -5.111 9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.874 -4.192 10.223 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.904 -5.470 10.909 1.00 0.00 H new ATOM 333 N GLY A 20 -6.234 -1.531 14.365 1.00 0.00 N ATOM 334 CA GLY A 20 -6.129 -0.816 15.635 1.00 0.00 C ATOM 335 C GLY A 20 -5.132 -1.474 16.583 1.00 0.00 C ATOM 336 O GLY A 20 -3.924 -1.399 16.341 1.00 0.00 O ATOM 0 H GLY A 20 -6.680 -2.445 14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.824 0.214 15.447 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.109 -0.777 16.110 1.00 0.00 H new ATOM 340 N PRO A 21 -5.601 -2.175 17.660 1.00 0.00 N ATOM 341 CA PRO A 21 -4.706 -2.743 18.693 1.00 0.00 C ATOM 342 C PRO A 21 -4.084 -4.094 18.275 1.00 0.00 C ATOM 343 O PRO A 21 -3.177 -4.598 18.940 1.00 0.00 O ATOM 344 CB PRO A 21 -5.647 -2.877 19.913 1.00 0.00 C ATOM 345 CG PRO A 21 -7.019 -3.115 19.330 1.00 0.00 C ATOM 346 CD PRO A 21 -7.032 -2.481 17.940 1.00 0.00 C ATOM 0 HA PRO A 21 -3.832 -2.121 18.887 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.343 -3.703 20.556 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.630 -1.975 20.524 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.232 -4.182 19.269 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.789 -2.672 19.963 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.446 -3.162 17.196 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.643 -1.578 17.920 1.00 0.00 H new ATOM 354 N SER A 22 -4.555 -4.648 17.144 1.00 0.00 N ATOM 355 CA SER A 22 -4.043 -5.906 16.564 1.00 0.00 C ATOM 356 C SER A 22 -2.894 -5.610 15.570 1.00 0.00 C ATOM 357 O SER A 22 -2.654 -6.365 14.618 1.00 0.00 O ATOM 358 CB SER A 22 -5.219 -6.647 15.877 1.00 0.00 C ATOM 359 OG SER A 22 -4.838 -7.924 15.403 1.00 0.00 O ATOM 0 H SER A 22 -5.310 -4.232 16.600 1.00 0.00 H new ATOM 0 HA SER A 22 -3.633 -6.545 17.346 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.042 -6.754 16.584 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.589 -6.047 15.045 1.00 0.00 H new ATOM 0 HG SER A 22 -3.957 -7.866 14.979 1.00 0.00 H new ATOM 365 N ALA A 23 -2.143 -4.531 15.843 1.00 0.00 N ATOM 366 CA ALA A 23 -1.111 -4.017 14.953 1.00 0.00 C ATOM 367 C ALA A 23 0.160 -3.782 15.763 1.00 0.00 C ATOM 368 O ALA A 23 0.483 -2.649 16.132 1.00 0.00 O ATOM 369 CB ALA A 23 -1.587 -2.730 14.252 1.00 0.00 C ATOM 0 H ALA A 23 -2.244 -3.990 16.702 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.901 -4.744 14.168 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.801 -2.363 13.592 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.481 -2.944 13.667 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.816 -1.971 15.000 1.00 0.00 H new ATOM 375 N LYS A 24 0.849 -4.891 16.078 1.00 0.00 N ATOM 376 CA LYS A 24 2.163 -4.860 16.735 1.00 0.00 C ATOM 377 C LYS A 24 3.163 -4.138 15.834 1.00 0.00 C ATOM 378 O LYS A 24 2.933 -4.056 14.614 1.00 0.00 O ATOM 379 CB LYS A 24 2.715 -6.295 17.012 1.00 0.00 C ATOM 380 CG LYS A 24 2.062 -7.077 18.171 1.00 0.00 C ATOM 381 CD LYS A 24 0.537 -7.320 17.988 1.00 0.00 C ATOM 382 CE LYS A 24 0.006 -8.516 18.794 1.00 0.00 C ATOM 383 NZ LYS A 24 0.232 -8.388 20.254 1.00 0.00 N ATOM 0 H LYS A 24 0.510 -5.833 15.884 1.00 0.00 H new ATOM 0 HA LYS A 24 2.037 -4.343 17.686 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.606 -6.883 16.101 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.783 -6.216 17.214 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.563 -8.039 18.275 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.224 -6.532 19.101 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.004 -6.422 18.286 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.327 -7.483 16.931 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.062 -8.625 18.607 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.487 -9.427 18.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.149 -9.226 20.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.252 -8.313 20.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.249 -7.536 20.606 1.00 0.00 H new ATOM 397 N GLU A 25 4.298 -3.725 16.436 1.00 0.00 N ATOM 398 CA GLU A 25 5.438 -3.082 15.735 1.00 0.00 C ATOM 399 C GLU A 25 5.784 -3.781 14.406 1.00 0.00 C ATOM 400 O GLU A 25 6.127 -3.123 13.426 1.00 0.00 O ATOM 401 CB GLU A 25 6.680 -3.076 16.668 1.00 0.00 C ATOM 402 CG GLU A 25 7.032 -4.462 17.220 1.00 0.00 C ATOM 403 CD GLU A 25 8.129 -4.433 18.287 1.00 0.00 C ATOM 404 OE1 GLU A 25 7.856 -3.974 19.413 1.00 0.00 O ATOM 405 OE2 GLU A 25 9.260 -4.881 18.023 1.00 0.00 O ATOM 0 H GLU A 25 4.454 -3.829 17.439 1.00 0.00 H new ATOM 0 HA GLU A 25 5.142 -2.062 15.492 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.536 -2.683 16.119 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.497 -2.397 17.501 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.135 -4.914 17.644 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.353 -5.101 16.398 1.00 0.00 H new ATOM 412 N ASP A 26 5.639 -5.121 14.375 1.00 0.00 N ATOM 413 CA ASP A 26 5.980 -5.926 13.192 1.00 0.00 C ATOM 414 C ASP A 26 4.887 -6.952 12.869 1.00 0.00 C ATOM 415 O ASP A 26 5.184 -8.062 12.407 1.00 0.00 O ATOM 416 CB ASP A 26 7.359 -6.609 13.404 1.00 0.00 C ATOM 417 CG ASP A 26 8.525 -5.609 13.339 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.758 -5.041 12.255 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.195 -5.374 14.363 1.00 0.00 O ATOM 0 H ASP A 26 5.286 -5.667 15.161 1.00 0.00 H new ATOM 0 HA ASP A 26 6.047 -5.263 12.330 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.368 -7.111 14.372 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.501 -7.378 12.645 1.00 0.00 H new ATOM 424 N GLU A 27 3.615 -6.564 13.076 1.00 0.00 N ATOM 425 CA GLU A 27 2.475 -7.325 12.540 1.00 0.00 C ATOM 426 C GLU A 27 2.428 -7.148 11.025 1.00 0.00 C ATOM 427 O GLU A 27 2.193 -8.098 10.280 1.00 0.00 O ATOM 428 CB GLU A 27 1.118 -6.882 13.182 1.00 0.00 C ATOM 429 CG GLU A 27 0.646 -7.766 14.344 1.00 0.00 C ATOM 430 CD GLU A 27 0.301 -9.194 13.912 1.00 0.00 C ATOM 431 OE1 GLU A 27 1.198 -10.067 13.894 1.00 0.00 O ATOM 432 OE2 GLU A 27 -0.873 -9.452 13.586 1.00 0.00 O ATOM 0 H GLU A 27 3.353 -5.733 13.607 1.00 0.00 H new ATOM 0 HA GLU A 27 2.616 -8.376 12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.217 -5.857 13.539 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.349 -6.878 12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.425 -7.802 15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.230 -7.311 14.806 1.00 0.00 H new ATOM 439 N LEU A 28 2.639 -5.907 10.587 1.00 0.00 N ATOM 440 CA LEU A 28 2.722 -5.579 9.171 1.00 0.00 C ATOM 441 C LEU A 28 4.183 -5.671 8.727 1.00 0.00 C ATOM 442 O LEU A 28 5.032 -4.909 9.182 1.00 0.00 O ATOM 443 CB LEU A 28 2.099 -4.176 8.904 1.00 0.00 C ATOM 444 CG LEU A 28 0.535 -4.140 8.848 1.00 0.00 C ATOM 445 CD1 LEU A 28 -0.007 -5.050 7.729 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.104 -4.509 10.200 1.00 0.00 C ATOM 0 H LEU A 28 2.757 -5.105 11.206 1.00 0.00 H new ATOM 0 HA LEU A 28 2.146 -6.291 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.434 -3.493 9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.489 -3.797 7.959 1.00 0.00 H new ATOM 0 HG LEU A 28 0.255 -3.111 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.096 -5.002 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.382 -4.715 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.309 -6.077 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.190 -4.470 10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.201 -5.516 10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.224 -3.802 10.962 1.00 0.00 H new ATOM 458 N ASP A 29 4.455 -6.671 7.895 1.00 0.00 N ATOM 459 CA ASP A 29 5.755 -6.900 7.256 1.00 0.00 C ATOM 460 C ASP A 29 5.603 -6.636 5.747 1.00 0.00 C ATOM 461 O ASP A 29 4.482 -6.477 5.235 1.00 0.00 O ATOM 462 CB ASP A 29 6.196 -8.362 7.559 1.00 0.00 C ATOM 463 CG ASP A 29 7.533 -8.776 6.928 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.580 -8.287 7.387 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.546 -9.575 5.957 1.00 0.00 O ATOM 0 H ASP A 29 3.758 -7.369 7.636 1.00 0.00 H new ATOM 0 HA ASP A 29 6.524 -6.230 7.639 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.266 -8.489 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.419 -9.041 7.208 1.00 0.00 H new ATOM 470 N ASP A 30 6.730 -6.608 5.039 1.00 0.00 N ATOM 471 CA ASP A 30 6.779 -6.269 3.611 1.00 0.00 C ATOM 472 C ASP A 30 6.349 -7.450 2.729 1.00 0.00 C ATOM 473 O ASP A 30 5.958 -7.266 1.572 1.00 0.00 O ATOM 474 CB ASP A 30 8.178 -5.736 3.237 1.00 0.00 C ATOM 475 CG ASP A 30 9.305 -6.757 3.417 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.622 -7.107 4.574 1.00 0.00 O ATOM 477 OD2 ASP A 30 9.900 -7.199 2.405 1.00 0.00 O ATOM 0 H ASP A 30 7.644 -6.821 5.439 1.00 0.00 H new ATOM 0 HA ASP A 30 6.058 -5.474 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.164 -5.406 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.396 -4.859 3.847 1.00 0.00 H new ATOM 482 N GLN A 31 6.384 -8.655 3.300 1.00 0.00 N ATOM 483 CA GLN A 31 5.943 -9.878 2.623 1.00 0.00 C ATOM 484 C GLN A 31 4.703 -10.460 3.317 1.00 0.00 C ATOM 485 O GLN A 31 4.304 -11.589 3.013 1.00 0.00 O ATOM 486 CB GLN A 31 7.085 -10.931 2.567 1.00 0.00 C ATOM 487 CG GLN A 31 8.281 -10.526 1.685 1.00 0.00 C ATOM 488 CD GLN A 31 9.278 -11.667 1.463 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.244 -11.824 2.207 1.00 0.00 O ATOM 490 NE2 GLN A 31 9.031 -12.476 0.444 1.00 0.00 N ATOM 0 H GLN A 31 6.721 -8.812 4.250 1.00 0.00 H new ATOM 0 HA GLN A 31 5.677 -9.619 1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.442 -11.116 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.678 -11.872 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.912 -10.181 0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.798 -9.685 2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.219 -12.313 -0.151 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.653 -13.262 0.254 1.00 0.00 H new ATOM 499 N THR A 32 4.113 -9.696 4.266 1.00 0.00 N ATOM 500 CA THR A 32 2.843 -10.060 4.890 1.00 0.00 C ATOM 501 C THR A 32 1.743 -10.146 3.813 1.00 0.00 C ATOM 502 O THR A 32 1.545 -9.184 3.056 1.00 0.00 O ATOM 503 CB THR A 32 2.440 -9.063 6.025 1.00 0.00 C ATOM 504 OG1 THR A 32 3.277 -9.268 7.167 1.00 0.00 O ATOM 505 CG2 THR A 32 0.981 -9.192 6.469 1.00 0.00 C ATOM 0 H THR A 32 4.508 -8.821 4.610 1.00 0.00 H new ATOM 0 HA THR A 32 2.963 -11.036 5.360 1.00 0.00 H new ATOM 0 HB THR A 32 2.567 -8.065 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.681 -10.160 7.121 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.776 -8.469 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.324 -9.000 5.621 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.803 -10.200 6.845 1.00 0.00 H new ATOM 513 N PRO A 33 1.044 -11.318 3.716 1.00 0.00 N ATOM 514 CA PRO A 33 -0.057 -11.508 2.770 1.00 0.00 C ATOM 515 C PRO A 33 -1.293 -10.712 3.221 1.00 0.00 C ATOM 516 O PRO A 33 -2.225 -11.259 3.809 1.00 0.00 O ATOM 517 CB PRO A 33 -0.277 -13.041 2.790 1.00 0.00 C ATOM 518 CG PRO A 33 0.158 -13.472 4.164 1.00 0.00 C ATOM 519 CD PRO A 33 1.293 -12.545 4.535 1.00 0.00 C ATOM 0 HA PRO A 33 0.148 -11.146 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.322 -13.293 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.310 -13.535 2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.662 -13.394 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.484 -14.512 4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.291 -12.320 5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.262 -12.988 4.304 1.00 0.00 H new ATOM 527 N LEU A 34 -1.245 -9.401 2.939 1.00 0.00 N ATOM 528 CA LEU A 34 -2.233 -8.403 3.382 1.00 0.00 C ATOM 529 C LEU A 34 -3.653 -8.813 2.957 1.00 0.00 C ATOM 530 O LEU A 34 -4.611 -8.745 3.740 1.00 0.00 O ATOM 531 CB LEU A 34 -1.885 -7.035 2.741 1.00 0.00 C ATOM 532 CG LEU A 34 -0.421 -6.517 2.921 1.00 0.00 C ATOM 533 CD1 LEU A 34 -0.188 -5.225 2.127 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.064 -6.327 4.405 1.00 0.00 C ATOM 0 H LEU A 34 -0.496 -8.993 2.380 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.202 -8.335 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.092 -7.099 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.562 -6.286 3.153 1.00 0.00 H new ATOM 0 HG LEU A 34 0.245 -7.281 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.839 -4.889 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.362 -5.413 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.875 -4.454 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.961 -5.966 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.742 -5.600 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.157 -7.280 4.927 1.00 0.00 H new ATOM 546 N LEU A 35 -3.744 -9.264 1.704 1.00 0.00 N ATOM 547 CA LEU A 35 -5.008 -9.639 1.072 1.00 0.00 C ATOM 548 C LEU A 35 -5.579 -10.926 1.696 1.00 0.00 C ATOM 549 O LEU A 35 -6.787 -11.030 1.927 1.00 0.00 O ATOM 550 CB LEU A 35 -4.797 -9.806 -0.449 1.00 0.00 C ATOM 551 CG LEU A 35 -6.084 -9.775 -1.320 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.847 -8.446 -1.125 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.754 -10.014 -2.805 1.00 0.00 C ATOM 0 H LEU A 35 -2.934 -9.380 1.095 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.736 -8.846 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.130 -9.016 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.286 -10.753 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.733 -10.586 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.744 -8.447 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.129 -8.339 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.207 -7.613 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.673 -9.987 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.076 -9.236 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.279 -10.988 -2.920 1.00 0.00 H new ATOM 565 N GLU A 36 -4.678 -11.876 2.002 1.00 0.00 N ATOM 566 CA GLU A 36 -5.042 -13.178 2.588 1.00 0.00 C ATOM 567 C GLU A 36 -5.431 -13.020 4.070 1.00 0.00 C ATOM 568 O GLU A 36 -6.213 -13.808 4.603 1.00 0.00 O ATOM 569 CB GLU A 36 -3.869 -14.177 2.425 1.00 0.00 C ATOM 570 CG GLU A 36 -3.338 -14.320 0.979 1.00 0.00 C ATOM 571 CD GLU A 36 -4.416 -14.754 -0.024 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.706 -15.969 -0.120 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.999 -13.889 -0.713 1.00 0.00 O ATOM 0 H GLU A 36 -3.676 -11.762 1.850 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.909 -13.572 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.048 -13.861 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.192 -15.157 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.916 -13.367 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.527 -15.048 0.968 1.00 0.00 H new ATOM 580 N TRP A 37 -4.882 -11.974 4.716 1.00 0.00 N ATOM 581 CA TRP A 37 -5.258 -11.576 6.086 1.00 0.00 C ATOM 582 C TRP A 37 -6.683 -10.985 6.120 1.00 0.00 C ATOM 583 O TRP A 37 -7.262 -10.837 7.200 1.00 0.00 O ATOM 584 CB TRP A 37 -4.229 -10.552 6.652 1.00 0.00 C ATOM 585 CG TRP A 37 -2.945 -11.167 7.168 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.332 -12.314 6.738 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.124 -10.657 8.231 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.192 -12.544 7.463 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.043 -11.544 8.384 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.200 -9.527 9.059 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.049 -11.341 9.335 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.213 -9.332 10.006 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.150 -10.235 10.134 1.00 0.00 C ATOM 0 H TRP A 37 -4.164 -11.380 4.302 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.248 -12.467 6.714 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.983 -9.834 5.870 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.700 -9.994 7.461 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.695 -12.947 5.942 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.558 -13.333 7.336 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.013 -8.824 8.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.774 -12.032 9.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.262 -8.471 10.657 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.608 -10.054 10.881 1.00 0.00 H new ATOM 604 N GLY A 38 -7.218 -10.634 4.932 1.00 0.00 N ATOM 605 CA GLY A 38 -8.578 -10.115 4.798 1.00 0.00 C ATOM 606 C GLY A 38 -8.719 -8.671 5.244 1.00 0.00 C ATOM 607 O GLY A 38 -9.834 -8.149 5.295 1.00 0.00 O ATOM 0 H GLY A 38 -6.715 -10.705 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.890 -10.198 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.255 -10.736 5.384 1.00 0.00 H new ATOM 611 N ILE A 39 -7.583 -8.020 5.551 1.00 0.00 N ATOM 612 CA ILE A 39 -7.561 -6.639 6.056 1.00 0.00 C ATOM 613 C ILE A 39 -7.790 -5.637 4.909 1.00 0.00 C ATOM 614 O ILE A 39 -8.092 -4.486 5.172 1.00 0.00 O ATOM 615 CB ILE A 39 -6.216 -6.319 6.825 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.982 -6.396 5.862 1.00 0.00 C ATOM 617 CG2 ILE A 39 -6.045 -7.270 8.041 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.632 -6.115 6.502 1.00 0.00 C ATOM 0 H ILE A 39 -6.657 -8.437 5.456 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.377 -6.537 6.771 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.272 -5.297 7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.953 -7.390 5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.133 -5.686 5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.115 -7.036 8.558 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.883 -7.140 8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.017 -8.303 7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.848 -6.195 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.631 -5.109 6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.447 -6.840 7.295 1.00 0.00 H new ATOM 630 N LEU A 40 -7.661 -6.098 3.635 1.00 0.00 N ATOM 631 CA LEU A 40 -7.830 -5.240 2.440 1.00 0.00 C ATOM 632 C LEU A 40 -9.133 -5.604 1.702 1.00 0.00 C ATOM 633 O LEU A 40 -9.167 -6.581 0.950 1.00 0.00 O ATOM 634 CB LEU A 40 -6.635 -5.385 1.441 1.00 0.00 C ATOM 635 CG LEU A 40 -5.195 -5.109 1.976 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.172 -5.115 0.817 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.117 -3.794 2.780 1.00 0.00 C ATOM 0 H LEU A 40 -7.438 -7.068 3.413 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.867 -4.209 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.654 -6.399 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.815 -4.710 0.604 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.942 -5.916 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.175 -4.921 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.185 -6.088 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.434 -4.341 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.097 -3.643 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.408 -2.960 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.792 -3.849 3.634 1.00 0.00 H new ATOM 649 N ASN A 41 -10.208 -4.849 1.954 1.00 0.00 N ATOM 650 CA ASN A 41 -11.418 -4.859 1.092 1.00 0.00 C ATOM 651 C ASN A 41 -11.503 -3.511 0.357 1.00 0.00 C ATOM 652 O ASN A 41 -10.567 -2.713 0.452 1.00 0.00 O ATOM 653 CB ASN A 41 -12.705 -5.155 1.922 1.00 0.00 C ATOM 654 CG ASN A 41 -13.225 -3.990 2.774 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.462 -3.205 3.323 1.00 0.00 O ATOM 656 ND2 ASN A 41 -14.539 -3.867 2.857 1.00 0.00 N ATOM 0 H ASN A 41 -10.274 -4.216 2.751 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.342 -5.661 0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.495 -5.462 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.506 -6.002 2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.947 -3.100 3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.145 -4.539 2.387 1.00 0.00 H new ATOM 663 N SER A 42 -12.604 -3.260 -0.375 1.00 0.00 N ATOM 664 CA SER A 42 -12.774 -2.019 -1.159 1.00 0.00 C ATOM 665 C SER A 42 -12.841 -0.775 -0.251 1.00 0.00 C ATOM 666 O SER A 42 -12.196 0.243 -0.531 1.00 0.00 O ATOM 667 CB SER A 42 -14.035 -2.106 -2.025 1.00 0.00 C ATOM 668 OG SER A 42 -14.014 -1.143 -3.069 1.00 0.00 O ATOM 0 H SER A 42 -13.393 -3.902 -0.441 1.00 0.00 H new ATOM 0 HA SER A 42 -11.901 -1.915 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.117 -3.106 -2.452 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.917 -1.952 -1.403 1.00 0.00 H new ATOM 0 HG SER A 42 -14.830 -1.224 -3.605 1.00 0.00 H new ATOM 673 N MET A 43 -13.595 -0.892 0.856 1.00 0.00 N ATOM 674 CA MET A 43 -13.770 0.202 1.830 1.00 0.00 C ATOM 675 C MET A 43 -12.444 0.562 2.519 1.00 0.00 C ATOM 676 O MET A 43 -12.270 1.689 2.959 1.00 0.00 O ATOM 677 CB MET A 43 -14.837 -0.174 2.891 1.00 0.00 C ATOM 678 CG MET A 43 -16.250 -0.377 2.322 1.00 0.00 C ATOM 679 SD MET A 43 -16.888 1.087 1.470 1.00 0.00 S ATOM 680 CE MET A 43 -16.849 2.333 2.765 1.00 0.00 C ATOM 0 H MET A 43 -14.099 -1.744 1.101 1.00 0.00 H new ATOM 0 HA MET A 43 -14.113 1.078 1.279 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.526 -1.089 3.394 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.872 0.610 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.239 -1.218 1.628 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.928 -0.642 3.134 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.422 3.204 2.449 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.284 1.924 3.677 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.817 2.627 2.956 1.00 0.00 H new ATOM 690 N ASN A 44 -11.541 -0.418 2.601 1.00 0.00 N ATOM 691 CA ASN A 44 -10.212 -0.272 3.215 1.00 0.00 C ATOM 692 C ASN A 44 -9.218 0.350 2.234 1.00 0.00 C ATOM 693 O ASN A 44 -8.543 1.336 2.562 1.00 0.00 O ATOM 694 CB ASN A 44 -9.707 -1.659 3.662 1.00 0.00 C ATOM 695 CG ASN A 44 -8.281 -1.661 4.197 1.00 0.00 C ATOM 696 OD1 ASN A 44 -7.320 -1.713 3.436 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.135 -1.629 5.501 1.00 0.00 N ATOM 0 H ASN A 44 -11.713 -1.355 2.236 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.295 0.391 4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.373 -2.045 4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.767 -2.345 2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.201 -1.647 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.956 -1.586 6.105 1.00 0.00 H new ATOM 704 N ILE A 45 -9.138 -0.253 1.037 1.00 0.00 N ATOM 705 CA ILE A 45 -8.049 -0.012 0.077 1.00 0.00 C ATOM 706 C ILE A 45 -8.027 1.441 -0.431 1.00 0.00 C ATOM 707 O ILE A 45 -6.972 1.952 -0.804 1.00 0.00 O ATOM 708 CB ILE A 45 -8.150 -1.009 -1.135 1.00 0.00 C ATOM 709 CG1 ILE A 45 -6.842 -1.001 -1.977 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.390 -0.704 -2.027 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.788 -2.064 -3.049 1.00 0.00 C ATOM 0 H ILE A 45 -9.831 -0.925 0.706 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.113 -0.185 0.608 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.281 -2.010 -0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.731 -0.023 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.992 -1.133 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.427 -1.413 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.298 -0.795 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.314 0.309 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.844 -1.989 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.865 -3.049 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.616 -1.922 -3.744 1.00 0.00 H new ATOM 723 N VAL A 46 -9.201 2.093 -0.416 1.00 0.00 N ATOM 724 CA VAL A 46 -9.351 3.485 -0.847 1.00 0.00 C ATOM 725 C VAL A 46 -8.581 4.451 0.090 1.00 0.00 C ATOM 726 O VAL A 46 -8.128 5.507 -0.362 1.00 0.00 O ATOM 727 CB VAL A 46 -10.871 3.883 -0.957 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.585 3.058 -2.065 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.603 3.741 0.410 1.00 0.00 C ATOM 0 H VAL A 46 -10.072 1.665 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.912 3.574 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.914 4.935 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.633 3.353 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.105 3.246 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.519 1.996 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.649 4.024 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.543 2.707 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.130 4.392 1.145 1.00 0.00 H new ATOM 739 N LYS A 47 -8.406 4.063 1.379 1.00 0.00 N ATOM 740 CA LYS A 47 -7.600 4.840 2.340 1.00 0.00 C ATOM 741 C LYS A 47 -6.098 4.704 2.035 1.00 0.00 C ATOM 742 O LYS A 47 -5.338 5.655 2.225 1.00 0.00 O ATOM 743 CB LYS A 47 -7.904 4.451 3.811 1.00 0.00 C ATOM 744 CG LYS A 47 -9.309 4.902 4.302 1.00 0.00 C ATOM 745 CD LYS A 47 -10.369 3.780 4.298 1.00 0.00 C ATOM 746 CE LYS A 47 -10.205 2.812 5.477 1.00 0.00 C ATOM 747 NZ LYS A 47 -11.356 1.885 5.617 1.00 0.00 N ATOM 0 H LYS A 47 -8.815 3.215 1.772 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.883 5.886 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.823 3.369 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.145 4.891 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.219 5.298 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.658 5.719 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.364 4.224 4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.301 3.224 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.291 2.233 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.089 3.383 6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.020 0.964 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.040 2.281 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.815 1.760 4.692 1.00 0.00 H new ATOM 761 N LEU A 48 -5.676 3.511 1.580 1.00 0.00 N ATOM 762 CA LEU A 48 -4.303 3.297 1.092 1.00 0.00 C ATOM 763 C LEU A 48 -4.075 4.089 -0.203 1.00 0.00 C ATOM 764 O LEU A 48 -3.058 4.759 -0.345 1.00 0.00 O ATOM 765 CB LEU A 48 -4.025 1.785 0.865 1.00 0.00 C ATOM 766 CG LEU A 48 -3.913 0.922 2.155 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.738 -0.578 1.830 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.767 1.431 3.064 1.00 0.00 C ATOM 0 H LEU A 48 -6.267 2.680 1.540 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.607 3.656 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.822 1.376 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.098 1.685 0.301 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.852 1.027 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.664 -1.145 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.597 -0.929 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.830 -0.720 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.710 0.811 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.822 1.376 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.962 2.465 3.350 1.00 0.00 H new ATOM 780 N MET A 49 -5.067 4.039 -1.104 1.00 0.00 N ATOM 781 CA MET A 49 -5.024 4.678 -2.420 1.00 0.00 C ATOM 782 C MET A 49 -4.774 6.195 -2.294 1.00 0.00 C ATOM 783 O MET A 49 -3.975 6.763 -3.045 1.00 0.00 O ATOM 784 CB MET A 49 -6.365 4.411 -3.142 1.00 0.00 C ATOM 785 CG MET A 49 -6.434 4.901 -4.589 1.00 0.00 C ATOM 786 SD MET A 49 -8.097 4.776 -5.295 1.00 0.00 S ATOM 787 CE MET A 49 -8.447 3.024 -5.143 1.00 0.00 C ATOM 0 H MET A 49 -5.940 3.541 -0.930 1.00 0.00 H new ATOM 0 HA MET A 49 -4.200 4.258 -2.997 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.559 3.339 -3.129 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.165 4.887 -2.575 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.103 5.939 -4.632 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.741 4.320 -5.198 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.849 2.650 -6.085 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.528 2.489 -4.903 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.177 2.866 -4.349 1.00 0.00 H new ATOM 797 N VAL A 50 -5.452 6.820 -1.311 1.00 0.00 N ATOM 798 CA VAL A 50 -5.334 8.265 -1.059 1.00 0.00 C ATOM 799 C VAL A 50 -4.046 8.577 -0.270 1.00 0.00 C ATOM 800 O VAL A 50 -3.434 9.617 -0.500 1.00 0.00 O ATOM 801 CB VAL A 50 -6.590 8.862 -0.313 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.882 8.659 -1.151 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.750 8.280 1.115 1.00 0.00 C ATOM 0 H VAL A 50 -6.090 6.340 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.285 8.747 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.422 9.933 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.733 9.079 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.775 9.161 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.046 7.594 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.627 8.719 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.873 7.199 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.863 8.513 1.704 1.00 0.00 H new ATOM 813 N TYR A 51 -3.642 7.648 0.633 1.00 0.00 N ATOM 814 CA TYR A 51 -2.416 7.779 1.449 1.00 0.00 C ATOM 815 C TYR A 51 -1.190 7.956 0.551 1.00 0.00 C ATOM 816 O TYR A 51 -0.415 8.898 0.705 1.00 0.00 O ATOM 817 CB TYR A 51 -2.205 6.523 2.326 1.00 0.00 C ATOM 818 CG TYR A 51 -0.894 6.566 3.130 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.765 7.392 4.252 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.232 5.823 2.744 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.420 7.475 4.955 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.411 5.902 3.449 1.00 0.00 C ATOM 823 CZ TYR A 51 1.502 6.730 4.556 1.00 0.00 C ATOM 824 OH TYR A 51 2.687 6.828 5.244 1.00 0.00 O ATOM 0 H TYR A 51 -4.160 6.788 0.813 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.537 8.655 2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.044 6.422 3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.206 5.638 1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.612 7.978 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.172 5.179 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.496 8.123 5.815 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.265 5.319 3.139 1.00 0.00 H new ATOM 0 HH TYR A 51 2.504 7.042 6.183 1.00 0.00 H new ATOM 834 N ILE A 52 -1.044 7.000 -0.363 1.00 0.00 N ATOM 835 CA ILE A 52 0.057 6.934 -1.322 1.00 0.00 C ATOM 836 C ILE A 52 -0.019 8.119 -2.309 1.00 0.00 C ATOM 837 O ILE A 52 1.005 8.621 -2.759 1.00 0.00 O ATOM 838 CB ILE A 52 -0.020 5.559 -2.063 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.007 4.377 -1.026 1.00 0.00 C ATOM 840 CG2 ILE A 52 1.107 5.407 -3.105 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.680 3.112 -1.497 1.00 0.00 C ATOM 0 H ILE A 52 -1.705 6.229 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 52 1.015 7.009 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.965 5.525 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.045 4.144 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.466 4.710 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.019 4.439 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.026 6.201 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.074 5.474 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.613 2.351 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.728 3.324 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.194 2.750 -2.403 1.00 0.00 H new ATOM 853 N ARG A 53 -1.252 8.559 -2.605 1.00 0.00 N ATOM 854 CA ARG A 53 -1.513 9.745 -3.436 1.00 0.00 C ATOM 855 C ARG A 53 -1.039 11.050 -2.752 1.00 0.00 C ATOM 856 O ARG A 53 -0.656 12.008 -3.434 1.00 0.00 O ATOM 857 CB ARG A 53 -3.014 9.808 -3.798 1.00 0.00 C ATOM 858 CG ARG A 53 -3.408 11.012 -4.668 1.00 0.00 C ATOM 859 CD ARG A 53 -4.894 11.012 -5.036 1.00 0.00 C ATOM 860 NE ARG A 53 -5.278 12.289 -5.646 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.176 12.458 -6.623 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.806 11.417 -7.149 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.435 13.674 -7.055 1.00 0.00 N ATOM 0 H ARG A 53 -2.100 8.100 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.933 9.652 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.288 8.892 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.596 9.835 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.169 11.933 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.812 11.007 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.102 10.196 -5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.494 10.835 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.817 13.127 -5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.608 10.476 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.489 11.557 -7.894 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.953 14.474 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.118 13.816 -7.799 1.00 0.00 H new ATOM 877 N ASP A 54 -1.068 11.079 -1.411 1.00 0.00 N ATOM 878 CA ASP A 54 -0.555 12.223 -0.637 1.00 0.00 C ATOM 879 C ASP A 54 0.977 12.142 -0.526 1.00 0.00 C ATOM 880 O ASP A 54 1.693 13.030 -0.996 1.00 0.00 O ATOM 881 CB ASP A 54 -1.189 12.258 0.787 1.00 0.00 C ATOM 882 CG ASP A 54 -2.726 12.337 0.800 1.00 0.00 C ATOM 883 OD1 ASP A 54 -3.308 13.062 -0.033 1.00 0.00 O ATOM 884 OD2 ASP A 54 -3.370 11.679 1.647 1.00 0.00 O ATOM 0 H ASP A 54 -1.442 10.323 -0.838 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.829 13.139 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.879 11.366 1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.789 13.116 1.328 1.00 0.00 H new ATOM 889 N GLU A 55 1.456 11.037 0.064 1.00 0.00 N ATOM 890 CA GLU A 55 2.875 10.842 0.418 1.00 0.00 C ATOM 891 C GLU A 55 3.758 10.642 -0.823 1.00 0.00 C ATOM 892 O GLU A 55 4.648 11.448 -1.091 1.00 0.00 O ATOM 893 CB GLU A 55 2.994 9.624 1.367 1.00 0.00 C ATOM 894 CG GLU A 55 2.299 9.800 2.727 1.00 0.00 C ATOM 895 CD GLU A 55 3.036 10.786 3.640 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.987 10.359 4.329 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.694 11.986 3.666 1.00 0.00 O ATOM 0 H GLU A 55 0.865 10.244 0.313 1.00 0.00 H new ATOM 0 HA GLU A 55 3.231 11.743 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.573 8.750 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.050 9.416 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.279 10.150 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.230 8.832 3.224 1.00 0.00 H new ATOM 904 N MET A 56 3.509 9.548 -1.565 1.00 0.00 N ATOM 905 CA MET A 56 4.295 9.189 -2.770 1.00 0.00 C ATOM 906 C MET A 56 3.834 9.993 -4.007 1.00 0.00 C ATOM 907 O MET A 56 4.561 10.059 -5.001 1.00 0.00 O ATOM 908 CB MET A 56 4.209 7.657 -3.049 1.00 0.00 C ATOM 909 CG MET A 56 5.248 6.802 -2.311 1.00 0.00 C ATOM 910 SD MET A 56 5.238 7.013 -0.517 1.00 0.00 S ATOM 911 CE MET A 56 3.633 6.357 -0.089 1.00 0.00 C ATOM 0 H MET A 56 2.762 8.887 -1.352 1.00 0.00 H new ATOM 0 HA MET A 56 5.335 9.448 -2.574 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.213 7.309 -2.774 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.320 7.492 -4.121 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.070 5.752 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 56 6.240 7.048 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.524 6.341 0.995 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.855 6.986 -0.522 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.539 5.343 -0.478 1.00 0.00 H new ATOM 921 N GLY A 57 2.619 10.573 -3.932 1.00 0.00 N ATOM 922 CA GLY A 57 2.031 11.313 -5.049 1.00 0.00 C ATOM 923 C GLY A 57 1.516 10.405 -6.152 1.00 0.00 C ATOM 924 O GLY A 57 1.491 10.802 -7.318 1.00 0.00 O ATOM 0 H GLY A 57 2.029 10.538 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.211 11.929 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.777 11.991 -5.462 1.00 0.00 H new ATOM 928 N VAL A 58 1.097 9.179 -5.778 1.00 0.00 N ATOM 929 CA VAL A 58 0.669 8.136 -6.731 1.00 0.00 C ATOM 930 C VAL A 58 -0.821 7.831 -6.549 1.00 0.00 C ATOM 931 O VAL A 58 -1.227 7.319 -5.500 1.00 0.00 O ATOM 932 CB VAL A 58 1.485 6.810 -6.520 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.110 5.721 -7.564 1.00 0.00 C ATOM 934 CG2 VAL A 58 2.998 7.096 -6.517 1.00 0.00 C ATOM 0 H VAL A 58 1.046 8.884 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 58 0.852 8.513 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 58 1.215 6.410 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.699 4.822 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.050 5.484 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.319 6.092 -8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.544 6.164 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.286 7.539 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.236 7.788 -5.709 1.00 0.00 H new ATOM 944 N SER A 59 -1.623 8.152 -7.565 1.00 0.00 N ATOM 945 CA SER A 59 -3.028 7.745 -7.627 1.00 0.00 C ATOM 946 C SER A 59 -3.106 6.353 -8.280 1.00 0.00 C ATOM 947 O SER A 59 -2.819 6.214 -9.473 1.00 0.00 O ATOM 948 CB SER A 59 -3.850 8.789 -8.416 1.00 0.00 C ATOM 949 OG SER A 59 -3.273 9.065 -9.685 1.00 0.00 O ATOM 0 H SER A 59 -1.317 8.701 -8.368 1.00 0.00 H new ATOM 0 HA SER A 59 -3.452 7.690 -6.624 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.868 8.423 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.917 9.711 -7.839 1.00 0.00 H new ATOM 0 HG SER A 59 -2.917 8.237 -10.070 1.00 0.00 H new ATOM 955 N ILE A 60 -3.441 5.326 -7.480 1.00 0.00 N ATOM 956 CA ILE A 60 -3.541 3.944 -7.970 1.00 0.00 C ATOM 957 C ILE A 60 -4.918 3.779 -8.653 1.00 0.00 C ATOM 958 O ILE A 60 -5.946 3.843 -7.965 1.00 0.00 O ATOM 959 CB ILE A 60 -3.376 2.848 -6.837 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.015 2.974 -6.064 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.515 1.420 -7.440 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.920 4.126 -5.084 1.00 0.00 C ATOM 0 H ILE A 60 -3.648 5.430 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.717 3.781 -8.665 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.174 3.021 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.839 2.045 -5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.212 3.075 -6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.399 0.678 -6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.499 1.312 -7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.745 1.268 -8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.940 4.118 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.058 5.068 -5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.694 4.022 -4.324 1.00 0.00 H new ATOM 974 N PRO A 61 -4.967 3.586 -10.009 1.00 0.00 N ATOM 975 CA PRO A 61 -6.251 3.465 -10.747 1.00 0.00 C ATOM 976 C PRO A 61 -7.001 2.159 -10.406 1.00 0.00 C ATOM 977 O PRO A 61 -6.392 1.191 -9.934 1.00 0.00 O ATOM 978 CB PRO A 61 -5.808 3.483 -12.230 1.00 0.00 C ATOM 979 CG PRO A 61 -4.412 2.940 -12.207 1.00 0.00 C ATOM 980 CD PRO A 61 -3.796 3.463 -10.926 1.00 0.00 C ATOM 0 HA PRO A 61 -6.953 4.260 -10.493 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.463 2.869 -12.848 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.835 4.492 -12.641 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.414 1.850 -12.225 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.847 3.272 -13.078 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.046 2.778 -10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.302 4.423 -11.079 1.00 0.00 H new ATOM 988 N SER A 62 -8.307 2.137 -10.711 1.00 0.00 N ATOM 989 CA SER A 62 -9.193 1.008 -10.392 1.00 0.00 C ATOM 990 C SER A 62 -8.819 -0.255 -11.197 1.00 0.00 C ATOM 991 O SER A 62 -9.087 -1.376 -10.757 1.00 0.00 O ATOM 992 CB SER A 62 -10.659 1.408 -10.636 1.00 0.00 C ATOM 993 OG SER A 62 -10.856 1.851 -11.963 1.00 0.00 O ATOM 0 H SER A 62 -8.780 2.905 -11.188 1.00 0.00 H new ATOM 0 HA SER A 62 -9.067 0.762 -9.338 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.309 0.557 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.943 2.198 -9.941 1.00 0.00 H new ATOM 0 HG SER A 62 -11.796 2.097 -12.090 1.00 0.00 H new ATOM 999 N THR A 63 -8.163 -0.062 -12.361 1.00 0.00 N ATOM 1000 CA THR A 63 -7.691 -1.172 -13.202 1.00 0.00 C ATOM 1001 C THR A 63 -6.439 -1.853 -12.587 1.00 0.00 C ATOM 1002 O THR A 63 -6.153 -3.010 -12.889 1.00 0.00 O ATOM 1003 CB THR A 63 -7.402 -0.694 -14.667 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.135 -1.828 -15.511 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.220 0.295 -14.744 1.00 0.00 C ATOM 0 H THR A 63 -7.949 0.861 -12.738 1.00 0.00 H new ATOM 0 HA THR A 63 -8.490 -1.913 -13.242 1.00 0.00 H new ATOM 0 HB THR A 63 -8.293 -0.169 -15.013 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.957 -1.521 -16.425 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.063 0.594 -15.780 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.443 1.176 -14.142 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.318 -0.185 -14.364 1.00 0.00 H new ATOM 1013 N HIS A 64 -5.704 -1.122 -11.727 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.526 -1.654 -11.004 1.00 0.00 C ATOM 1015 C HIS A 64 -4.924 -2.188 -9.613 1.00 0.00 C ATOM 1016 O HIS A 64 -4.054 -2.635 -8.858 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.416 -0.563 -10.885 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.469 -0.517 -12.063 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.794 0.032 -13.286 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.204 -0.995 -12.204 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.776 -0.110 -14.117 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.803 -0.734 -13.486 1.00 0.00 N ATOM 0 H HIS A 64 -5.908 -0.146 -11.512 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.125 -2.489 -11.579 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.890 0.412 -10.775 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.841 -0.742 -9.977 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.621 -1.491 -11.442 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.747 0.229 -15.142 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.101 -0.982 -13.887 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.226 -2.123 -9.273 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.749 -2.730 -8.041 1.00 0.00 C ATOM 1033 C ILE A 65 -7.026 -4.212 -8.319 1.00 0.00 C ATOM 1034 O ILE A 65 -8.092 -4.580 -8.842 1.00 0.00 O ATOM 1035 CB ILE A 65 -8.049 -2.026 -7.505 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.843 -0.486 -7.362 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.503 -2.650 -6.160 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.760 -0.057 -6.391 1.00 0.00 C ATOM 0 H ILE A 65 -6.934 -1.654 -9.838 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.999 -2.608 -7.260 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.839 -2.188 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.608 -0.076 -8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.786 -0.039 -7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.404 -2.146 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.713 -3.710 -6.303 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.712 -2.534 -5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.701 1.031 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.998 -0.428 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.802 -0.466 -6.711 1.00 0.00 H new ATOM 1050 N THR A 66 -6.028 -5.042 -8.024 1.00 0.00 N ATOM 1051 CA THR A 66 -6.099 -6.487 -8.227 1.00 0.00 C ATOM 1052 C THR A 66 -5.194 -7.201 -7.218 1.00 0.00 C ATOM 1053 O THR A 66 -4.324 -6.572 -6.595 1.00 0.00 O ATOM 1054 CB THR A 66 -5.730 -6.882 -9.703 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.904 -8.292 -9.900 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.294 -6.492 -10.068 1.00 0.00 C ATOM 0 H THR A 66 -5.140 -4.728 -7.634 1.00 0.00 H new ATOM 0 HA THR A 66 -7.128 -6.807 -8.061 1.00 0.00 H new ATOM 0 HB THR A 66 -6.404 -6.328 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.673 -8.524 -10.824 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.088 -6.786 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.173 -5.413 -9.967 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.598 -6.999 -9.399 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.399 -8.519 -7.090 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.682 -9.342 -6.124 1.00 0.00 C ATOM 1066 C GLY A 67 -3.203 -9.521 -6.436 1.00 0.00 C ATOM 1067 O GLY A 67 -2.428 -9.823 -5.542 1.00 0.00 O ATOM 0 H GLY A 67 -6.069 -9.039 -7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.782 -8.893 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.154 -10.323 -6.078 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.822 -9.331 -7.714 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.413 -9.402 -8.152 1.00 0.00 C ATOM 1073 C LYS A 68 -0.554 -8.322 -7.458 1.00 0.00 C ATOM 1074 O LYS A 68 0.594 -8.581 -7.080 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.337 -9.269 -9.697 1.00 0.00 C ATOM 1076 CG LYS A 68 0.094 -9.300 -10.301 1.00 0.00 C ATOM 1077 CD LYS A 68 0.096 -9.341 -11.850 1.00 0.00 C ATOM 1078 CE LYS A 68 -0.623 -8.143 -12.494 1.00 0.00 C ATOM 1079 NZ LYS A 68 -0.681 -8.263 -13.967 1.00 0.00 N ATOM 0 H LYS A 68 -3.477 -9.125 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.007 -10.371 -7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.918 -10.076 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.815 -8.334 -9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.643 -8.420 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.625 -10.172 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.127 -9.370 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.381 -10.263 -12.182 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.635 -8.069 -12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.107 -7.222 -12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.173 -7.437 -14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.285 -8.308 -14.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.196 -9.129 -14.225 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.136 -7.125 -7.277 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.449 -5.986 -6.648 1.00 0.00 C ATOM 1095 C TYR A 69 -0.696 -5.961 -5.134 1.00 0.00 C ATOM 1096 O TYR A 69 0.235 -5.834 -4.349 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.912 -4.659 -7.297 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.603 -4.572 -8.800 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.708 -4.641 -9.264 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.609 -4.423 -9.751 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.001 -4.557 -10.609 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -1.323 -4.349 -11.097 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.018 -4.411 -11.520 1.00 0.00 C ATOM 1104 OH TYR A 69 0.271 -4.309 -12.855 1.00 0.00 O ATOM 0 H TYR A 69 -2.094 -6.920 -7.562 1.00 0.00 H new ATOM 0 HA TYR A 69 0.623 -6.101 -6.810 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.986 -4.546 -7.148 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.429 -3.826 -6.786 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.513 -4.763 -8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.637 -4.364 -9.426 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.026 -4.606 -10.945 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.122 -4.243 -11.816 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.561 -4.212 -13.363 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.956 -6.119 -4.723 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.362 -5.908 -3.320 1.00 0.00 C ATOM 1116 C PHE A 70 -2.364 -7.209 -2.503 1.00 0.00 C ATOM 1117 O PHE A 70 -3.081 -7.316 -1.509 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.730 -5.188 -3.297 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.629 -3.753 -3.812 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.242 -2.720 -2.954 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.880 -3.440 -5.149 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.123 -1.423 -3.410 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.758 -2.142 -5.603 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.378 -1.133 -4.734 1.00 0.00 C ATOM 0 H PHE A 70 -2.720 -6.393 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.623 -5.274 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.442 -5.743 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.119 -5.182 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.033 -2.940 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.173 -4.221 -5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.830 -0.636 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.960 -1.913 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.281 -0.119 -5.093 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.513 -8.178 -2.906 1.00 0.00 N ATOM 1135 CA LYS A 71 -1.275 -9.417 -2.138 1.00 0.00 C ATOM 1136 C LYS A 71 -0.330 -9.123 -0.957 1.00 0.00 C ATOM 1137 O LYS A 71 -0.630 -9.466 0.185 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.691 -10.544 -3.047 1.00 0.00 C ATOM 1139 CG LYS A 71 0.556 -10.142 -3.883 1.00 0.00 C ATOM 1140 CD LYS A 71 1.191 -11.325 -4.650 1.00 0.00 C ATOM 1141 CE LYS A 71 0.244 -11.955 -5.692 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.889 -13.066 -6.433 1.00 0.00 N ATOM 0 H LYS A 71 -0.974 -8.122 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.230 -9.773 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.428 -11.395 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.472 -10.880 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.272 -9.368 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.303 -9.706 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.095 -10.980 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.495 -12.090 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.651 -12.325 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.079 -11.189 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.217 -13.460 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.728 -12.709 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.175 -13.810 -5.764 1.00 0.00 H new ATOM 1156 N ASP A 72 0.797 -8.438 -1.261 1.00 0.00 N ATOM 1157 CA ASP A 72 1.870 -8.129 -0.295 1.00 0.00 C ATOM 1158 C ASP A 72 2.240 -6.661 -0.420 1.00 0.00 C ATOM 1159 O ASP A 72 1.973 -6.036 -1.449 1.00 0.00 O ATOM 1160 CB ASP A 72 3.159 -8.976 -0.545 1.00 0.00 C ATOM 1161 CG ASP A 72 2.905 -10.487 -0.612 1.00 0.00 C ATOM 1162 OD1 ASP A 72 2.502 -11.080 0.410 1.00 0.00 O ATOM 1163 OD2 ASP A 72 3.097 -11.087 -1.692 1.00 0.00 O ATOM 0 H ASP A 72 0.986 -8.081 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 72 1.491 -8.367 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.619 -8.653 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.876 -8.773 0.251 1.00 0.00 H new ATOM 1168 N LEU A 73 2.903 -6.144 0.615 1.00 0.00 N ATOM 1169 CA LEU A 73 3.396 -4.762 0.654 1.00 0.00 C ATOM 1170 C LEU A 73 4.469 -4.518 -0.431 1.00 0.00 C ATOM 1171 O LEU A 73 4.525 -3.432 -0.996 1.00 0.00 O ATOM 1172 CB LEU A 73 3.960 -4.477 2.056 1.00 0.00 C ATOM 1173 CG LEU A 73 4.551 -3.054 2.271 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.442 -1.986 2.271 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.413 -2.990 3.539 1.00 0.00 C ATOM 0 H LEU A 73 3.116 -6.676 1.459 1.00 0.00 H new ATOM 0 HA LEU A 73 2.571 -4.081 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.166 -4.634 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.738 -5.209 2.270 1.00 0.00 H new ATOM 0 HG LEU A 73 5.209 -2.835 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.885 -1.002 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.919 -2.005 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.736 -2.195 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.810 -1.982 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.804 -3.245 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.238 -3.697 3.454 1.00 0.00 H new ATOM 1187 N ASN A 74 5.294 -5.546 -0.718 1.00 0.00 N ATOM 1188 CA ASN A 74 6.311 -5.488 -1.794 1.00 0.00 C ATOM 1189 C ASN A 74 5.651 -5.358 -3.169 1.00 0.00 C ATOM 1190 O ASN A 74 6.098 -4.565 -4.003 1.00 0.00 O ATOM 1191 CB ASN A 74 7.226 -6.739 -1.781 1.00 0.00 C ATOM 1192 CG ASN A 74 8.194 -6.780 -0.606 1.00 0.00 C ATOM 1193 OD1 ASN A 74 8.569 -5.743 -0.066 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.631 -7.967 -0.227 1.00 0.00 N ATOM 0 H ASN A 74 5.277 -6.434 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 74 6.922 -4.606 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.603 -7.633 -1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.795 -6.771 -2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.302 -8.043 0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.298 -8.808 -0.699 1.00 0.00 H new ATOM 1201 N ALA A 75 4.593 -6.150 -3.383 1.00 0.00 N ATOM 1202 CA ALA A 75 3.848 -6.165 -4.644 1.00 0.00 C ATOM 1203 C ALA A 75 3.075 -4.839 -4.838 1.00 0.00 C ATOM 1204 O ALA A 75 2.842 -4.409 -5.975 1.00 0.00 O ATOM 1205 CB ALA A 75 2.920 -7.380 -4.674 1.00 0.00 C ATOM 0 H ALA A 75 4.230 -6.799 -2.684 1.00 0.00 H new ATOM 0 HA ALA A 75 4.545 -6.250 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.366 -7.391 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.512 -8.292 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.221 -7.324 -3.840 1.00 0.00 H new ATOM 1211 N ILE A 76 2.675 -4.213 -3.714 1.00 0.00 N ATOM 1212 CA ILE A 76 2.076 -2.867 -3.712 1.00 0.00 C ATOM 1213 C ILE A 76 3.137 -1.815 -4.070 1.00 0.00 C ATOM 1214 O ILE A 76 2.939 -1.013 -4.977 1.00 0.00 O ATOM 1215 CB ILE A 76 1.432 -2.528 -2.309 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.218 -3.456 -2.028 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.022 -1.037 -2.170 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.475 -3.224 -0.694 1.00 0.00 C ATOM 0 H ILE A 76 2.758 -4.626 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 76 1.285 -2.850 -4.462 1.00 0.00 H new ATOM 0 HB ILE A 76 2.205 -2.708 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.512 -3.326 -2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.555 -4.492 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.587 -0.870 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.902 -0.405 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.289 -0.788 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.308 -3.919 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.235 -3.385 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.849 -2.201 -0.651 1.00 0.00 H new ATOM 1230 N SER A 77 4.280 -1.863 -3.370 1.00 0.00 N ATOM 1231 CA SER A 77 5.319 -0.824 -3.458 1.00 0.00 C ATOM 1232 C SER A 77 5.987 -0.829 -4.838 1.00 0.00 C ATOM 1233 O SER A 77 6.367 0.228 -5.339 1.00 0.00 O ATOM 1234 CB SER A 77 6.369 -1.012 -2.339 1.00 0.00 C ATOM 1235 OG SER A 77 6.979 -2.294 -2.384 1.00 0.00 O ATOM 0 H SER A 77 4.511 -2.621 -2.728 1.00 0.00 H new ATOM 0 HA SER A 77 4.841 0.146 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.136 -0.243 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.892 -0.872 -1.369 1.00 0.00 H new ATOM 0 HG SER A 77 6.515 -2.854 -3.040 1.00 0.00 H new ATOM 1241 N ARG A 78 6.078 -2.029 -5.465 1.00 0.00 N ATOM 1242 CA ARG A 78 6.742 -2.187 -6.766 1.00 0.00 C ATOM 1243 C ARG A 78 5.922 -1.507 -7.880 1.00 0.00 C ATOM 1244 O ARG A 78 6.500 -0.920 -8.811 1.00 0.00 O ATOM 1245 CB ARG A 78 7.009 -3.679 -7.103 1.00 0.00 C ATOM 1246 CG ARG A 78 5.766 -4.516 -7.463 1.00 0.00 C ATOM 1247 CD ARG A 78 6.120 -5.954 -7.885 1.00 0.00 C ATOM 1248 NE ARG A 78 7.011 -5.978 -9.061 1.00 0.00 N ATOM 1249 CZ ARG A 78 7.556 -7.075 -9.615 1.00 0.00 C ATOM 1250 NH1 ARG A 78 7.327 -8.287 -9.124 1.00 0.00 N ATOM 1251 NH2 ARG A 78 8.346 -6.944 -10.670 1.00 0.00 N ATOM 0 H ARG A 78 5.698 -2.895 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 78 7.712 -1.694 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.709 -3.724 -7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.502 -4.143 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.094 -4.548 -6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.226 -4.027 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.602 -6.468 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.205 -6.502 -8.111 1.00 0.00 H new ATOM 0 HE ARG A 78 7.234 -5.081 -9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.726 -8.401 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.752 -9.104 -9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.535 -6.018 -11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.765 -7.769 -11.099 1.00 0.00 H new ATOM 1265 N THR A 79 4.572 -1.563 -7.763 1.00 0.00 N ATOM 1266 CA THR A 79 3.692 -0.903 -8.725 1.00 0.00 C ATOM 1267 C THR A 79 3.593 0.588 -8.390 1.00 0.00 C ATOM 1268 O THR A 79 3.488 1.374 -9.295 1.00 0.00 O ATOM 1269 CB THR A 79 2.257 -1.546 -8.826 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.600 -1.095 -10.026 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.352 -1.225 -7.627 1.00 0.00 C ATOM 0 H THR A 79 4.085 -2.057 -7.015 1.00 0.00 H new ATOM 0 HA THR A 79 4.143 -1.041 -9.708 1.00 0.00 H new ATOM 0 HB THR A 79 2.413 -2.625 -8.839 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.244 -1.867 -10.514 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.381 -1.701 -7.766 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.812 -1.600 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.219 -0.146 -7.550 1.00 0.00 H new ATOM 1279 N VAL A 80 3.658 0.963 -7.090 1.00 0.00 N ATOM 1280 CA VAL A 80 3.612 2.381 -6.651 1.00 0.00 C ATOM 1281 C VAL A 80 4.768 3.182 -7.275 1.00 0.00 C ATOM 1282 O VAL A 80 4.552 4.285 -7.779 1.00 0.00 O ATOM 1283 CB VAL A 80 3.651 2.502 -5.074 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.002 3.937 -4.599 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.312 2.032 -4.449 1.00 0.00 C ATOM 0 H VAL A 80 3.743 0.298 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 80 2.667 2.800 -6.997 1.00 0.00 H new ATOM 0 HB VAL A 80 4.449 1.845 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.016 3.966 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.983 4.217 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.254 4.637 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.364 2.125 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.497 2.650 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.132 0.991 -4.716 1.00 0.00 H new ATOM 1295 N GLU A 81 5.976 2.594 -7.244 1.00 0.00 N ATOM 1296 CA GLU A 81 7.192 3.213 -7.794 1.00 0.00 C ATOM 1297 C GLU A 81 7.120 3.343 -9.328 1.00 0.00 C ATOM 1298 O GLU A 81 7.602 4.334 -9.900 1.00 0.00 O ATOM 1299 CB GLU A 81 8.436 2.391 -7.373 1.00 0.00 C ATOM 1300 CG GLU A 81 8.661 2.288 -5.848 1.00 0.00 C ATOM 1301 CD GLU A 81 8.829 3.651 -5.156 1.00 0.00 C ATOM 1302 OE1 GLU A 81 9.971 4.168 -5.114 1.00 0.00 O ATOM 1303 OE2 GLU A 81 7.823 4.234 -4.676 1.00 0.00 O ATOM 0 H GLU A 81 6.136 1.673 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 81 7.274 4.221 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.344 1.384 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.320 2.839 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.817 1.764 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.548 1.683 -5.660 1.00 0.00 H new ATOM 1310 N GLN A 82 6.525 2.330 -9.979 1.00 0.00 N ATOM 1311 CA GLN A 82 6.365 2.303 -11.450 1.00 0.00 C ATOM 1312 C GLN A 82 5.311 3.327 -11.891 1.00 0.00 C ATOM 1313 O GLN A 82 5.542 4.106 -12.816 1.00 0.00 O ATOM 1314 CB GLN A 82 5.988 0.880 -11.941 1.00 0.00 C ATOM 1315 CG GLN A 82 5.858 0.733 -13.485 1.00 0.00 C ATOM 1316 CD GLN A 82 7.154 1.044 -14.252 1.00 0.00 C ATOM 1317 OE1 GLN A 82 8.258 0.829 -13.746 1.00 0.00 O ATOM 1318 NE2 GLN A 82 7.027 1.552 -15.473 1.00 0.00 N ATOM 0 H GLN A 82 6.142 1.510 -9.508 1.00 0.00 H new ATOM 0 HA GLN A 82 7.319 2.572 -11.903 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.742 0.177 -11.586 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.042 0.592 -11.482 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.545 -0.285 -13.718 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.070 1.398 -13.838 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.099 1.718 -15.862 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.858 1.776 -16.021 1.00 0.00 H new ATOM 1327 N LEU A 83 4.178 3.338 -11.175 1.00 0.00 N ATOM 1328 CA LEU A 83 3.046 4.241 -11.433 1.00 0.00 C ATOM 1329 C LEU A 83 3.460 5.691 -11.155 1.00 0.00 C ATOM 1330 O LEU A 83 2.982 6.589 -11.810 1.00 0.00 O ATOM 1331 CB LEU A 83 1.821 3.858 -10.552 1.00 0.00 C ATOM 1332 CG LEU A 83 1.110 2.498 -10.864 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.115 2.276 -9.948 1.00 0.00 C ATOM 1334 CD2 LEU A 83 0.741 2.375 -12.357 1.00 0.00 C ATOM 0 H LEU A 83 4.019 2.710 -10.387 1.00 0.00 H new ATOM 0 HA LEU A 83 2.759 4.144 -12.480 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.146 3.838 -9.512 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.081 4.653 -10.639 1.00 0.00 H new ATOM 0 HG LEU A 83 1.823 1.702 -10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.584 1.323 -10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.207 2.266 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.833 3.083 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.250 1.418 -12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.066 3.185 -12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.646 2.435 -12.962 1.00 0.00 H new ATOM 1346 N LYS A 84 4.365 5.873 -10.176 1.00 0.00 N ATOM 1347 CA LYS A 84 4.958 7.178 -9.836 1.00 0.00 C ATOM 1348 C LYS A 84 5.787 7.722 -11.011 1.00 0.00 C ATOM 1349 O LYS A 84 5.726 8.917 -11.330 1.00 0.00 O ATOM 1350 CB LYS A 84 5.855 7.020 -8.582 1.00 0.00 C ATOM 1351 CG LYS A 84 6.419 8.334 -7.995 1.00 0.00 C ATOM 1352 CD LYS A 84 7.131 8.119 -6.634 1.00 0.00 C ATOM 1353 CE LYS A 84 8.333 7.159 -6.716 1.00 0.00 C ATOM 1354 NZ LYS A 84 8.895 6.863 -5.379 1.00 0.00 N ATOM 0 H LYS A 84 4.708 5.110 -9.593 1.00 0.00 H new ATOM 0 HA LYS A 84 4.157 7.888 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.279 6.514 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.691 6.368 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.122 8.773 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.607 9.049 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.471 9.083 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.412 7.728 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.023 6.229 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.106 7.599 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.522 6.035 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.437 7.683 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.121 6.662 -4.714 1.00 0.00 H new ATOM 1368 N ALA A 85 6.547 6.807 -11.645 1.00 0.00 N ATOM 1369 CA ALA A 85 7.444 7.128 -12.766 1.00 0.00 C ATOM 1370 C ALA A 85 6.630 7.499 -14.016 1.00 0.00 C ATOM 1371 O ALA A 85 6.951 8.473 -14.712 1.00 0.00 O ATOM 1372 CB ALA A 85 8.379 5.943 -13.058 1.00 0.00 C ATOM 0 H ALA A 85 6.554 5.819 -11.390 1.00 0.00 H new ATOM 0 HA ALA A 85 8.055 7.987 -12.489 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.037 6.195 -13.890 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.979 5.726 -12.174 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.785 5.067 -13.318 1.00 0.00 H new ATOM 1378 N GLU A 86 5.573 6.712 -14.277 1.00 0.00 N ATOM 1379 CA GLU A 86 4.697 6.896 -15.443 1.00 0.00 C ATOM 1380 C GLU A 86 3.824 8.152 -15.263 1.00 0.00 C ATOM 1381 O GLU A 86 3.616 8.899 -16.213 1.00 0.00 O ATOM 1382 CB GLU A 86 3.810 5.642 -15.675 1.00 0.00 C ATOM 1383 CG GLU A 86 4.578 4.310 -15.844 1.00 0.00 C ATOM 1384 CD GLU A 86 5.620 4.343 -16.972 1.00 0.00 C ATOM 1385 OE1 GLU A 86 5.225 4.324 -18.159 1.00 0.00 O ATOM 1386 OE2 GLU A 86 6.841 4.378 -16.688 1.00 0.00 O ATOM 0 H GLU A 86 5.302 5.928 -13.683 1.00 0.00 H new ATOM 0 HA GLU A 86 5.324 7.031 -16.324 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.124 5.542 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.202 5.807 -16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.077 4.066 -14.906 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.864 3.511 -16.043 1.00 0.00 H new ATOM 1393 N SER A 87 3.341 8.376 -14.018 1.00 0.00 N ATOM 1394 CA SER A 87 2.504 9.544 -13.654 1.00 0.00 C ATOM 1395 C SER A 87 3.338 10.846 -13.627 1.00 0.00 C ATOM 1396 O SER A 87 2.776 11.940 -13.678 1.00 0.00 O ATOM 1397 CB SER A 87 1.810 9.310 -12.281 1.00 0.00 C ATOM 1398 OG SER A 87 0.936 10.365 -11.925 1.00 0.00 O ATOM 0 H SER A 87 3.522 7.749 -13.234 1.00 0.00 H new ATOM 0 HA SER A 87 1.735 9.657 -14.418 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.250 8.376 -12.316 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.571 9.197 -11.508 1.00 0.00 H new ATOM 0 HG SER A 87 0.524 10.170 -11.057 1.00 0.00 H new ATOM 1404 N ALA A 88 4.678 10.727 -13.531 1.00 0.00 N ATOM 1405 CA ALA A 88 5.583 11.884 -13.632 1.00 0.00 C ATOM 1406 C ALA A 88 5.529 12.493 -15.054 1.00 0.00 C ATOM 1407 O ALA A 88 5.539 13.716 -15.215 1.00 0.00 O ATOM 1408 CB ALA A 88 7.009 11.474 -13.246 1.00 0.00 C ATOM 0 H ALA A 88 5.156 9.838 -13.383 1.00 0.00 H new ATOM 0 HA ALA A 88 5.256 12.654 -12.934 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.670 12.337 -13.324 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.016 11.103 -12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.356 10.689 -13.918 1.00 0.00 H new ATOM 1414 N LEU A 89 5.431 11.612 -16.067 1.00 0.00 N ATOM 1415 CA LEU A 89 5.307 12.005 -17.483 1.00 0.00 C ATOM 1416 C LEU A 89 3.822 12.183 -17.872 1.00 0.00 C ATOM 1417 O LEU A 89 3.508 12.954 -18.788 1.00 0.00 O ATOM 1418 CB LEU A 89 5.996 10.940 -18.403 1.00 0.00 C ATOM 1419 CG LEU A 89 7.564 10.915 -18.403 1.00 0.00 C ATOM 1420 CD1 LEU A 89 8.153 12.281 -18.794 1.00 0.00 C ATOM 1421 CD2 LEU A 89 8.138 10.420 -17.062 1.00 0.00 C ATOM 0 H LEU A 89 5.436 10.602 -15.925 1.00 0.00 H new ATOM 0 HA LEU A 89 5.810 12.962 -17.623 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.640 9.953 -18.106 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.659 11.106 -19.426 1.00 0.00 H new ATOM 0 HG LEU A 89 7.866 10.195 -19.164 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.241 12.225 -18.783 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.814 12.551 -19.794 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.822 13.037 -18.082 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.227 10.420 -17.110 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.810 11.081 -16.260 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.784 9.408 -16.866 1.00 0.00 H new ATOM 1433 N GLU A 90 2.917 11.473 -17.177 1.00 0.00 N ATOM 1434 CA GLU A 90 1.469 11.536 -17.435 1.00 0.00 C ATOM 1435 C GLU A 90 0.759 12.196 -16.223 1.00 0.00 C ATOM 1436 CB GLU A 90 0.918 10.107 -17.720 1.00 0.00 C ATOM 1437 CG GLU A 90 1.501 9.427 -18.974 1.00 0.00 C ATOM 1438 CD GLU A 90 0.938 8.015 -19.215 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -0.296 7.883 -19.379 1.00 0.00 O ATOM 1440 OE2 GLU A 90 1.719 7.040 -19.266 1.00 0.00 O ATOM 0 H GLU A 90 3.170 10.838 -16.419 1.00 0.00 H new ATOM 0 HA GLU A 90 1.272 12.146 -18.317 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.120 9.476 -16.855 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.165 10.165 -17.826 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.293 10.048 -19.846 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.585 9.367 -18.876 1.00 0.00 H new