USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 689 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 51 ASN : amide:sc= -2.28! C(o=-3.1!,f=-7.3!) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.06 K(o=-3.1,f=-4.3!) USER MOD Set 1.3: A 76 HIS :FLIP no HD1:sc= 0.264 F(o=-5.3!,f=-3.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -6.07! C(o=-6.1!,f=-5.7!) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.002) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -3.9! (180deg=-5.36!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 30:sc= 0.906 USER MOD Single : A 45 MET CE :methyl 139:sc= -0.87 (180deg=-2.8!) USER MOD Single : A 48 HIS : no HD1:sc= -2.75! C(o=-2.8!,f=-4.9!) USER MOD Single : A 49 TYR OH : rot 130:sc= 0 USER MOD Single : A 50 THR OG1 : rot 18:sc= 0.291 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -4.75! C(o=-4.7!,f=-8.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 88:sc= 0.554 USER MOD Single : A 77 MET CE :methyl 176:sc= -3.29! (180deg=-3.47!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -135:sc= 0.796 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.670 13.025 -9.978 1.00 0.00 N ATOM 67 CA ASP A 8 -0.966 11.949 -9.291 1.00 0.00 C ATOM 68 C ASP A 8 -1.848 11.322 -8.216 1.00 0.00 C ATOM 69 O ASP A 8 -2.865 11.893 -7.822 1.00 0.00 O ATOM 70 CB ASP A 8 0.327 12.474 -8.666 1.00 0.00 C ATOM 71 CG ASP A 8 1.031 13.483 -9.552 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.437 14.547 -9.828 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.175 13.210 -9.969 1.00 0.00 O ATOM 0 HA ASP A 8 -0.720 11.182 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.101 12.935 -7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.998 11.638 -8.469 1.00 0.00 H new ATOM 78 N VAL A 9 -1.451 10.144 -7.744 1.00 0.00 N ATOM 79 CA VAL A 9 -2.205 9.440 -6.714 1.00 0.00 C ATOM 80 C VAL A 9 -1.494 9.511 -5.368 1.00 0.00 C ATOM 81 O VAL A 9 -0.531 8.784 -5.124 1.00 0.00 O ATOM 82 CB VAL A 9 -2.423 7.962 -7.090 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.196 7.241 -5.997 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.144 7.853 -8.425 1.00 0.00 C ATOM 0 H VAL A 9 -0.612 9.658 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.173 9.934 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.449 7.483 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.340 6.198 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.636 7.289 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.167 7.718 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.290 6.802 -8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.113 8.347 -8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.547 8.331 -9.201 1.00 0.00 H new ATOM 94 N ARG A 10 -1.975 10.391 -4.496 1.00 0.00 N ATOM 95 CA ARG A 10 -1.385 10.558 -3.173 1.00 0.00 C ATOM 96 C ARG A 10 -1.584 9.303 -2.327 1.00 0.00 C ATOM 97 O ARG A 10 -2.714 8.906 -2.043 1.00 0.00 O ATOM 98 CB ARG A 10 -2.001 11.766 -2.465 1.00 0.00 C ATOM 99 CG ARG A 10 -1.073 12.417 -1.453 1.00 0.00 C ATOM 100 CD ARG A 10 -1.811 13.426 -0.588 1.00 0.00 C ATOM 101 NE ARG A 10 -1.916 14.731 -1.237 1.00 0.00 N ATOM 102 CZ ARG A 10 -2.242 15.847 -0.595 1.00 0.00 C ATOM 103 NH1 ARG A 10 -2.494 15.817 0.707 1.00 0.00 N ATOM 104 NH2 ARG A 10 -2.317 16.996 -1.254 1.00 0.00 N ATOM 0 H ARG A 10 -2.772 11.000 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.315 10.726 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.288 12.507 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.914 11.453 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.628 11.650 -0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.255 12.913 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.810 13.051 -0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.292 13.535 0.364 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.729 14.788 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.438 14.936 1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.744 16.675 1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.124 17.023 -2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.568 17.852 -0.759 1.00 0.00 H new ATOM 118 N VAL A 11 -0.477 8.684 -1.928 1.00 0.00 N ATOM 119 CA VAL A 11 -0.529 7.475 -1.115 1.00 0.00 C ATOM 120 C VAL A 11 0.246 7.654 0.186 1.00 0.00 C ATOM 121 O VAL A 11 1.458 7.868 0.175 1.00 0.00 O ATOM 122 CB VAL A 11 0.039 6.262 -1.875 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.022 5.012 -1.009 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.713 6.052 -3.181 1.00 0.00 C ATOM 0 H VAL A 11 0.466 9.000 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.579 7.292 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 11 1.084 6.461 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.384 4.165 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.564 5.168 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.058 4.806 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.299 5.191 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.767 5.875 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.612 6.940 -3.806 1.00 0.00 H new ATOM 134 N LYS A 12 -0.462 7.564 1.307 1.00 0.00 N ATOM 135 CA LYS A 12 0.159 7.714 2.618 1.00 0.00 C ATOM 136 C LYS A 12 0.452 6.353 3.240 1.00 0.00 C ATOM 137 O LYS A 12 -0.407 5.470 3.259 1.00 0.00 O ATOM 138 CB LYS A 12 -0.750 8.526 3.545 1.00 0.00 C ATOM 139 CG LYS A 12 -0.066 8.977 4.824 1.00 0.00 C ATOM 140 CD LYS A 12 -1.052 9.614 5.788 1.00 0.00 C ATOM 141 CE LYS A 12 -1.443 11.015 5.341 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.718 11.461 5.967 1.00 0.00 N ATOM 0 H LYS A 12 -1.466 7.388 1.334 1.00 0.00 H new ATOM 0 HA LYS A 12 1.102 8.244 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.113 9.403 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.623 7.926 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.412 8.123 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.722 9.690 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.944 8.992 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.612 9.658 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.648 11.714 5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.545 11.035 4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.950 12.420 5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.483 10.809 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.613 11.467 7.002 1.00 0.00 H new ATOM 156 N PHE A 13 1.668 6.190 3.749 1.00 0.00 N ATOM 157 CA PHE A 13 2.074 4.936 4.373 1.00 0.00 C ATOM 158 C PHE A 13 2.026 5.045 5.895 1.00 0.00 C ATOM 159 O PHE A 13 2.015 6.144 6.448 1.00 0.00 O ATOM 160 CB PHE A 13 3.484 4.550 3.922 1.00 0.00 C ATOM 161 CG PHE A 13 3.546 4.051 2.507 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.679 3.063 2.069 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.470 4.570 1.615 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.733 2.602 0.767 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.529 4.113 0.312 1.00 0.00 C ATOM 166 CZ PHE A 13 3.659 3.128 -0.113 1.00 0.00 C ATOM 0 H PHE A 13 2.390 6.911 3.742 1.00 0.00 H new ATOM 0 HA PHE A 13 1.375 4.160 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.138 5.416 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.871 3.779 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.953 2.648 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.152 5.341 1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.052 1.831 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.255 4.526 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.703 2.770 -1.131 1.00 0.00 H new ATOM 176 N GLU A 14 1.997 3.896 6.564 1.00 0.00 N ATOM 177 CA GLU A 14 1.949 3.863 8.021 1.00 0.00 C ATOM 178 C GLU A 14 2.596 2.589 8.557 1.00 0.00 C ATOM 179 O GLU A 14 2.133 1.481 8.283 1.00 0.00 O ATOM 180 CB GLU A 14 0.501 3.957 8.508 1.00 0.00 C ATOM 181 CG GLU A 14 0.027 5.383 8.732 1.00 0.00 C ATOM 182 CD GLU A 14 -1.469 5.470 8.964 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.034 4.529 9.560 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.076 6.480 8.549 1.00 0.00 O ATOM 0 H GLU A 14 2.006 2.977 6.121 1.00 0.00 H new ATOM 0 HA GLU A 14 2.507 4.720 8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.151 3.476 7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.403 3.400 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.549 5.805 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.293 5.991 7.867 1.00 0.00 H new ATOM 191 N HIS A 15 3.669 2.755 9.324 1.00 0.00 N ATOM 192 CA HIS A 15 4.380 1.619 9.899 1.00 0.00 C ATOM 193 C HIS A 15 4.975 1.982 11.256 1.00 0.00 C ATOM 194 O HIS A 15 5.639 3.009 11.399 1.00 0.00 O ATOM 195 CB HIS A 15 5.486 1.150 8.953 1.00 0.00 C ATOM 196 CG HIS A 15 5.776 -0.316 9.051 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.723 -1.017 10.237 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.120 -1.216 8.100 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.025 -2.283 10.012 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.270 -2.430 8.723 1.00 0.00 N ATOM 0 H HIS A 15 4.065 3.665 9.561 1.00 0.00 H new ATOM 0 HA HIS A 15 3.665 0.808 10.040 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.201 1.388 7.928 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.398 1.708 9.168 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.252 -1.016 7.047 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.065 -3.065 10.756 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.529 -3.304 8.265 1.00 0.00 H new ATOM 209 N ARG A 16 4.732 1.133 12.250 1.00 0.00 N ATOM 210 CA ARG A 16 5.243 1.365 13.595 1.00 0.00 C ATOM 211 C ARG A 16 5.028 2.817 14.015 1.00 0.00 C ATOM 212 O ARG A 16 5.842 3.392 14.736 1.00 0.00 O ATOM 213 CB ARG A 16 6.731 1.017 13.667 1.00 0.00 C ATOM 214 CG ARG A 16 7.007 -0.477 13.667 1.00 0.00 C ATOM 215 CD ARG A 16 8.350 -0.796 13.029 1.00 0.00 C ATOM 216 NE ARG A 16 8.427 -0.321 11.650 1.00 0.00 N ATOM 217 CZ ARG A 16 9.392 -0.669 10.806 1.00 0.00 C ATOM 218 NH1 ARG A 16 10.356 -1.490 11.198 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.393 -0.195 9.566 1.00 0.00 N ATOM 0 H ARG A 16 4.184 0.278 12.148 1.00 0.00 H new ATOM 0 HA ARG A 16 4.693 0.720 14.281 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.244 1.473 12.820 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.155 1.456 14.570 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.991 -0.851 14.691 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.214 -0.994 13.127 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.147 -0.339 13.615 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.515 -1.873 13.051 1.00 0.00 H new ATOM 0 HE ARG A 16 7.700 0.312 11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.358 -1.856 12.150 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.096 -1.755 10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.653 0.437 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.134 -0.463 8.918 1.00 0.00 H new ATOM 233 N GLY A 17 3.926 3.403 13.557 1.00 0.00 N ATOM 234 CA GLY A 17 3.625 4.782 13.894 1.00 0.00 C ATOM 235 C GLY A 17 4.134 5.759 12.852 1.00 0.00 C ATOM 236 O GLY A 17 3.523 6.801 12.620 1.00 0.00 O ATOM 0 H GLY A 17 3.237 2.948 12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.547 4.899 14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.069 5.022 14.860 1.00 0.00 H new ATOM 240 N GLU A 18 5.256 5.421 12.225 1.00 0.00 N ATOM 241 CA GLU A 18 5.848 6.277 11.204 1.00 0.00 C ATOM 242 C GLU A 18 4.902 6.444 10.019 1.00 0.00 C ATOM 243 O GLU A 18 4.026 5.610 9.786 1.00 0.00 O ATOM 244 CB GLU A 18 7.181 5.696 10.729 1.00 0.00 C ATOM 245 CG GLU A 18 8.178 5.462 11.851 1.00 0.00 C ATOM 246 CD GLU A 18 8.201 6.596 12.857 1.00 0.00 C ATOM 247 OE1 GLU A 18 7.262 6.684 13.675 1.00 0.00 O ATOM 248 OE2 GLU A 18 9.159 7.397 12.826 1.00 0.00 O ATOM 0 H GLU A 18 5.773 4.561 12.406 1.00 0.00 H new ATOM 0 HA GLU A 18 6.025 7.257 11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.994 4.752 10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.622 6.373 9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.931 4.532 12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.174 5.338 11.427 1.00 0.00 H new ATOM 255 N LYS A 19 5.083 7.528 9.272 1.00 0.00 N ATOM 256 CA LYS A 19 4.248 7.806 8.110 1.00 0.00 C ATOM 257 C LYS A 19 5.075 8.404 6.976 1.00 0.00 C ATOM 258 O LYS A 19 6.029 9.144 7.214 1.00 0.00 O ATOM 259 CB LYS A 19 3.114 8.762 8.488 1.00 0.00 C ATOM 260 CG LYS A 19 2.446 8.422 9.809 1.00 0.00 C ATOM 261 CD LYS A 19 3.155 9.084 10.979 1.00 0.00 C ATOM 262 CE LYS A 19 2.261 9.148 12.208 1.00 0.00 C ATOM 263 NZ LYS A 19 1.271 10.256 12.117 1.00 0.00 N ATOM 0 H LYS A 19 5.802 8.229 9.451 1.00 0.00 H new ATOM 0 HA LYS A 19 3.821 6.864 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.508 9.777 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.363 8.752 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.405 8.743 9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.443 7.341 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.063 8.530 11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.461 10.092 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.735 8.200 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.876 9.283 13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.704 10.287 12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.771 11.160 11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.645 10.096 11.302 1.00 0.00 H new ATOM 277 N ARG A 20 4.701 8.079 5.743 1.00 0.00 N ATOM 278 CA ARG A 20 5.408 8.584 4.572 1.00 0.00 C ATOM 279 C ARG A 20 4.483 8.640 3.360 1.00 0.00 C ATOM 280 O ARG A 20 3.983 7.613 2.900 1.00 0.00 O ATOM 281 CB ARG A 20 6.620 7.703 4.262 1.00 0.00 C ATOM 282 CG ARG A 20 7.898 8.163 4.943 1.00 0.00 C ATOM 283 CD ARG A 20 8.421 9.454 4.332 1.00 0.00 C ATOM 284 NE ARG A 20 9.216 10.227 5.282 1.00 0.00 N ATOM 285 CZ ARG A 20 9.457 11.527 5.153 1.00 0.00 C ATOM 286 NH1 ARG A 20 8.965 12.196 4.119 1.00 0.00 N ATOM 287 NH2 ARG A 20 10.190 12.160 6.060 1.00 0.00 N ATOM 0 H ARG A 20 3.913 7.468 5.529 1.00 0.00 H new ATOM 0 HA ARG A 20 5.750 9.595 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.403 6.680 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.779 7.685 3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.712 8.312 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.657 7.385 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.028 9.221 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.582 10.057 3.986 1.00 0.00 H new ATOM 0 HE ARG A 20 9.608 9.742 6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.400 11.712 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.151 13.194 4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.569 11.648 6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.375 13.158 5.960 1.00 0.00 H new ATOM 301 N ILE A 21 4.259 9.846 2.849 1.00 0.00 N ATOM 302 CA ILE A 21 3.394 10.036 1.690 1.00 0.00 C ATOM 303 C ILE A 21 4.206 10.076 0.400 1.00 0.00 C ATOM 304 O ILE A 21 5.331 10.577 0.376 1.00 0.00 O ATOM 305 CB ILE A 21 2.572 11.333 1.808 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.628 11.257 3.009 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.790 11.582 0.527 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.059 12.598 3.416 1.00 0.00 C ATOM 0 H ILE A 21 4.664 10.706 3.219 1.00 0.00 H new ATOM 0 HA ILE A 21 2.712 9.186 1.661 1.00 0.00 H new ATOM 0 HB ILE A 21 3.257 12.167 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.807 10.580 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.164 10.827 3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.214 12.502 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.482 11.675 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.113 10.747 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.399 12.468 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.873 13.272 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.495 13.021 2.585 1.00 0.00 H new ATOM 320 N LEU A 22 3.627 9.548 -0.673 1.00 0.00 N ATOM 321 CA LEU A 22 4.295 9.525 -1.969 1.00 0.00 C ATOM 322 C LEU A 22 3.374 10.050 -3.066 1.00 0.00 C ATOM 323 O LEU A 22 2.231 10.424 -2.803 1.00 0.00 O ATOM 324 CB LEU A 22 4.749 8.103 -2.306 1.00 0.00 C ATOM 325 CG LEU A 22 5.895 7.547 -1.461 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.114 8.451 -1.552 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.458 7.382 -0.012 1.00 0.00 C ATOM 0 H LEU A 22 2.696 9.130 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 22 5.168 10.175 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.893 7.436 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.051 8.078 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 22 6.166 6.566 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.919 8.039 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.441 8.518 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.857 9.446 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.286 6.985 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.159 8.350 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.615 6.693 0.038 1.00 0.00 H new ATOM 339 N GLN A 23 3.878 10.072 -4.295 1.00 0.00 N ATOM 340 CA GLN A 23 3.100 10.549 -5.432 1.00 0.00 C ATOM 341 C GLN A 23 3.315 9.660 -6.652 1.00 0.00 C ATOM 342 O GLN A 23 4.404 9.629 -7.226 1.00 0.00 O ATOM 343 CB GLN A 23 3.478 11.993 -5.766 1.00 0.00 C ATOM 344 CG GLN A 23 2.740 13.025 -4.928 1.00 0.00 C ATOM 345 CD GLN A 23 2.613 14.363 -5.629 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.612 14.970 -6.017 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.382 14.831 -5.795 1.00 0.00 N ATOM 0 H GLN A 23 4.822 9.765 -4.529 1.00 0.00 H new ATOM 0 HA GLN A 23 2.045 10.510 -5.159 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.551 12.121 -5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.272 12.179 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.745 12.649 -4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.265 13.163 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.583 14.295 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.235 15.727 -6.260 1.00 0.00 H new ATOM 356 N PHE A 24 2.271 8.937 -7.042 1.00 0.00 N ATOM 357 CA PHE A 24 2.346 8.045 -8.194 1.00 0.00 C ATOM 358 C PHE A 24 1.394 8.499 -9.296 1.00 0.00 C ATOM 359 O PHE A 24 0.172 8.442 -9.159 1.00 0.00 O ATOM 360 CB PHE A 24 2.015 6.610 -7.777 1.00 0.00 C ATOM 361 CG PHE A 24 2.900 6.084 -6.684 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.581 6.297 -5.353 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.052 5.376 -6.988 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.395 5.815 -4.345 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.869 4.890 -5.984 1.00 0.00 C ATOM 366 CZ PHE A 24 4.539 5.109 -4.661 1.00 0.00 C ATOM 0 H PHE A 24 1.363 8.951 -6.578 1.00 0.00 H new ATOM 0 HA PHE A 24 3.364 8.078 -8.582 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.977 6.567 -7.446 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.099 5.959 -8.647 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.686 6.846 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.315 5.202 -8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.136 5.990 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.764 4.340 -6.234 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.174 4.729 -3.875 1.00 0.00 H new ATOM 376 N PRO A 25 1.966 8.962 -10.418 1.00 0.00 N ATOM 377 CA PRO A 25 1.188 9.435 -11.566 1.00 0.00 C ATOM 378 C PRO A 25 0.468 8.299 -12.286 1.00 0.00 C ATOM 379 O PRO A 25 1.102 7.410 -12.852 1.00 0.00 O ATOM 380 CB PRO A 25 2.246 10.060 -12.479 1.00 0.00 C ATOM 381 CG PRO A 25 3.514 9.364 -12.120 1.00 0.00 C ATOM 382 CD PRO A 25 3.417 9.058 -10.651 1.00 0.00 C ATOM 0 HA PRO A 25 0.401 10.127 -11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.998 9.914 -13.530 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.324 11.135 -12.316 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.636 8.450 -12.702 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.378 9.994 -12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.927 8.128 -10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.870 9.843 -10.046 1.00 0.00 H new ATOM 390 N ARG A 26 -0.860 8.337 -12.260 1.00 0.00 N ATOM 391 CA ARG A 26 -1.667 7.310 -12.909 1.00 0.00 C ATOM 392 C ARG A 26 -1.262 7.146 -14.371 1.00 0.00 C ATOM 393 O ARG A 26 -0.890 8.103 -15.049 1.00 0.00 O ATOM 394 CB ARG A 26 -3.152 7.664 -12.816 1.00 0.00 C ATOM 395 CG ARG A 26 -3.783 7.298 -11.482 1.00 0.00 C ATOM 396 CD ARG A 26 -5.258 6.962 -11.637 1.00 0.00 C ATOM 397 NE ARG A 26 -5.464 5.575 -12.046 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.589 5.130 -12.594 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.604 5.958 -12.797 1.00 0.00 N ATOM 400 NH2 ARG A 26 -6.700 3.853 -12.940 1.00 0.00 N ATOM 0 H ARG A 26 -1.400 9.068 -11.797 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.493 6.366 -12.393 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.273 8.734 -12.984 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.689 7.153 -13.615 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.258 6.445 -11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.669 8.128 -10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.772 7.141 -10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.706 7.628 -12.375 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.702 4.912 -11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.522 6.940 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.467 5.614 -13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.921 3.213 -12.785 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.564 3.512 -13.361 1.00 0.00 H new ATOM 414 N PRO A 27 -1.336 5.903 -14.869 1.00 0.00 N ATOM 415 CA PRO A 27 -1.777 4.755 -14.071 1.00 0.00 C ATOM 416 C PRO A 27 -0.763 4.370 -12.999 1.00 0.00 C ATOM 417 O PRO A 27 0.444 4.523 -13.188 1.00 0.00 O ATOM 418 CB PRO A 27 -1.912 3.634 -15.106 1.00 0.00 C ATOM 419 CG PRO A 27 -0.982 4.019 -16.204 1.00 0.00 C ATOM 420 CD PRO A 27 -0.994 5.522 -16.250 1.00 0.00 C ATOM 0 HA PRO A 27 -2.698 4.966 -13.528 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.643 2.667 -14.680 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.937 3.549 -15.467 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.023 3.643 -16.014 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.306 3.597 -17.155 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.025 5.923 -16.549 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.728 5.896 -16.964 1.00 0.00 H new ATOM 428 N VAL A 28 -1.261 3.870 -11.873 1.00 0.00 N ATOM 429 CA VAL A 28 -0.398 3.462 -10.771 1.00 0.00 C ATOM 430 C VAL A 28 0.003 1.997 -10.900 1.00 0.00 C ATOM 431 O VAL A 28 -0.803 1.153 -11.294 1.00 0.00 O ATOM 432 CB VAL A 28 -1.086 3.676 -9.410 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.131 3.354 -8.271 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.604 5.102 -9.294 1.00 0.00 C ATOM 0 H VAL A 28 -2.257 3.738 -11.700 1.00 0.00 H new ATOM 0 HA VAL A 28 0.494 4.086 -10.821 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.936 2.997 -9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.636 3.511 -7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.187 2.314 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.741 4.005 -8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.087 5.236 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.772 5.800 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.325 5.293 -10.089 1.00 0.00 H new ATOM 444 N LYS A 29 1.254 1.699 -10.565 1.00 0.00 N ATOM 445 CA LYS A 29 1.763 0.335 -10.641 1.00 0.00 C ATOM 446 C LYS A 29 2.025 -0.227 -9.247 1.00 0.00 C ATOM 447 O LYS A 29 2.752 0.370 -8.452 1.00 0.00 O ATOM 448 CB LYS A 29 3.051 0.295 -11.468 1.00 0.00 C ATOM 449 CG LYS A 29 2.909 0.924 -12.844 1.00 0.00 C ATOM 450 CD LYS A 29 2.183 0.001 -13.807 1.00 0.00 C ATOM 451 CE LYS A 29 1.315 0.782 -14.781 1.00 0.00 C ATOM 452 NZ LYS A 29 0.276 1.584 -14.078 1.00 0.00 N ATOM 0 H LYS A 29 1.934 2.385 -10.238 1.00 0.00 H new ATOM 0 HA LYS A 29 1.006 -0.282 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.840 0.811 -10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.368 -0.742 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.365 1.865 -12.760 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.896 1.161 -13.240 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.910 -0.593 -14.361 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.563 -0.698 -13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.943 1.444 -15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.834 0.091 -15.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.561 1.679 -14.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.008 1.106 -13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.654 2.528 -13.860 1.00 0.00 H new ATOM 466 N LEU A 30 1.429 -1.378 -8.958 1.00 0.00 N ATOM 467 CA LEU A 30 1.599 -2.022 -7.659 1.00 0.00 C ATOM 468 C LEU A 30 3.073 -2.090 -7.274 1.00 0.00 C ATOM 469 O LEU A 30 3.438 -1.824 -6.130 1.00 0.00 O ATOM 470 CB LEU A 30 1.000 -3.429 -7.684 1.00 0.00 C ATOM 471 CG LEU A 30 1.184 -4.259 -6.413 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.386 -3.661 -5.265 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.773 -5.704 -6.655 1.00 0.00 C ATOM 0 H LEU A 30 0.824 -1.885 -9.604 1.00 0.00 H new ATOM 0 HA LEU A 30 1.076 -1.424 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.068 -3.344 -7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.441 -3.975 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 30 2.240 -4.243 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.529 -4.265 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.728 -2.644 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.672 -3.645 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.911 -6.280 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.275 -5.739 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.389 -6.130 -7.447 1.00 0.00 H new ATOM 485 N GLU A 31 3.915 -2.448 -8.238 1.00 0.00 N ATOM 486 CA GLU A 31 5.350 -2.550 -7.999 1.00 0.00 C ATOM 487 C GLU A 31 5.921 -1.211 -7.540 1.00 0.00 C ATOM 488 O GLU A 31 6.773 -1.160 -6.652 1.00 0.00 O ATOM 489 CB GLU A 31 6.069 -3.015 -9.267 1.00 0.00 C ATOM 490 CG GLU A 31 6.346 -1.895 -10.256 1.00 0.00 C ATOM 491 CD GLU A 31 7.312 -2.307 -11.350 1.00 0.00 C ATOM 492 OE1 GLU A 31 8.533 -2.131 -11.159 1.00 0.00 O ATOM 493 OE2 GLU A 31 6.847 -2.806 -12.396 1.00 0.00 O ATOM 0 H GLU A 31 3.629 -2.672 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 31 5.510 -3.284 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.013 -3.484 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.466 -3.780 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.407 -1.574 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.753 -1.036 -9.722 1.00 0.00 H new ATOM 500 N ASP A 32 5.448 -0.131 -8.151 1.00 0.00 N ATOM 501 CA ASP A 32 5.910 1.208 -7.805 1.00 0.00 C ATOM 502 C ASP A 32 5.676 1.498 -6.326 1.00 0.00 C ATOM 503 O ASP A 32 6.606 1.846 -5.596 1.00 0.00 O ATOM 504 CB ASP A 32 5.196 2.254 -8.662 1.00 0.00 C ATOM 505 CG ASP A 32 6.041 3.492 -8.888 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.996 3.708 -8.113 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.748 4.244 -9.840 1.00 0.00 O ATOM 0 H ASP A 32 4.744 -0.156 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 32 6.981 1.258 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.936 1.814 -9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.261 2.539 -8.179 1.00 0.00 H new ATOM 512 N LEU A 33 4.430 1.354 -5.889 1.00 0.00 N ATOM 513 CA LEU A 33 4.073 1.601 -4.497 1.00 0.00 C ATOM 514 C LEU A 33 5.052 0.910 -3.553 1.00 0.00 C ATOM 515 O LEU A 33 5.544 1.515 -2.600 1.00 0.00 O ATOM 516 CB LEU A 33 2.650 1.115 -4.220 1.00 0.00 C ATOM 517 CG LEU A 33 1.522 1.996 -4.758 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.301 1.155 -5.094 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.166 3.080 -3.751 1.00 0.00 C ATOM 0 H LEU A 33 3.649 1.067 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 33 4.123 2.675 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.539 0.118 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.525 1.017 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 33 1.868 2.477 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.491 1.800 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.565 0.417 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.047 0.644 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.362 3.698 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.840 2.618 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.041 3.702 -3.561 1.00 0.00 H new ATOM 531 N ARG A 34 5.332 -0.361 -3.825 1.00 0.00 N ATOM 532 CA ARG A 34 6.252 -1.134 -3.001 1.00 0.00 C ATOM 533 C ARG A 34 7.664 -0.559 -3.077 1.00 0.00 C ATOM 534 O ARG A 34 8.285 -0.274 -2.053 1.00 0.00 O ATOM 535 CB ARG A 34 6.262 -2.598 -3.445 1.00 0.00 C ATOM 536 CG ARG A 34 4.875 -3.212 -3.548 1.00 0.00 C ATOM 537 CD ARG A 34 4.944 -4.682 -3.930 1.00 0.00 C ATOM 538 NE ARG A 34 5.097 -5.545 -2.762 1.00 0.00 N ATOM 539 CZ ARG A 34 5.516 -6.803 -2.828 1.00 0.00 C ATOM 540 NH1 ARG A 34 5.823 -7.343 -3.999 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.630 -7.525 -1.720 1.00 0.00 N ATOM 0 H ARG A 34 4.934 -0.877 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 34 5.910 -1.077 -1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.756 -2.672 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.856 -3.179 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.357 -3.107 -2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.290 -2.669 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.038 -4.959 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.781 -4.841 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 34 4.869 -5.160 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.738 -6.792 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.145 -8.310 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.396 -7.113 -0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.952 -8.491 -1.772 1.00 0.00 H new ATOM 555 N SER A 35 8.165 -0.393 -4.297 1.00 0.00 N ATOM 556 CA SER A 35 9.505 0.143 -4.507 1.00 0.00 C ATOM 557 C SER A 35 9.760 1.339 -3.595 1.00 0.00 C ATOM 558 O SER A 35 10.680 1.325 -2.776 1.00 0.00 O ATOM 559 CB SER A 35 9.689 0.554 -5.969 1.00 0.00 C ATOM 560 OG SER A 35 11.047 0.448 -6.361 1.00 0.00 O ATOM 0 H SER A 35 7.663 -0.622 -5.155 1.00 0.00 H new ATOM 0 HA SER A 35 10.225 -0.638 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.072 -0.078 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.346 1.579 -6.108 1.00 0.00 H new ATOM 0 HG SER A 35 11.138 0.714 -7.300 1.00 0.00 H new ATOM 566 N LYS A 36 8.939 2.373 -3.742 1.00 0.00 N ATOM 567 CA LYS A 36 9.073 3.578 -2.932 1.00 0.00 C ATOM 568 C LYS A 36 9.121 3.233 -1.447 1.00 0.00 C ATOM 569 O LYS A 36 10.119 3.486 -0.773 1.00 0.00 O ATOM 570 CB LYS A 36 7.910 4.534 -3.207 1.00 0.00 C ATOM 571 CG LYS A 36 7.754 4.896 -4.673 1.00 0.00 C ATOM 572 CD LYS A 36 8.943 5.696 -5.180 1.00 0.00 C ATOM 573 CE LYS A 36 8.881 7.142 -4.714 1.00 0.00 C ATOM 574 NZ LYS A 36 10.222 7.789 -4.731 1.00 0.00 N ATOM 0 H LYS A 36 8.173 2.401 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 36 10.009 4.066 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.985 4.079 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.057 5.447 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.648 3.986 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.840 5.474 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.868 5.238 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.966 5.664 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.200 7.701 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.472 7.181 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.137 8.773 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.865 7.271 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.602 7.775 -5.699 1.00 0.00 H new ATOM 588 N ALA A 37 8.036 2.652 -0.944 1.00 0.00 N ATOM 589 CA ALA A 37 7.957 2.269 0.460 1.00 0.00 C ATOM 590 C ALA A 37 9.204 1.506 0.893 1.00 0.00 C ATOM 591 O ALA A 37 9.640 1.608 2.040 1.00 0.00 O ATOM 592 CB ALA A 37 6.711 1.431 0.709 1.00 0.00 C ATOM 0 H ALA A 37 7.200 2.437 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 37 7.895 3.180 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.665 1.152 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.825 2.010 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.750 0.530 0.096 1.00 0.00 H new ATOM 598 N LYS A 38 9.776 0.742 -0.032 1.00 0.00 N ATOM 599 CA LYS A 38 10.974 -0.038 0.253 1.00 0.00 C ATOM 600 C LYS A 38 12.199 0.866 0.357 1.00 0.00 C ATOM 601 O LYS A 38 13.095 0.621 1.166 1.00 0.00 O ATOM 602 CB LYS A 38 11.194 -1.089 -0.836 1.00 0.00 C ATOM 603 CG LYS A 38 12.349 -2.033 -0.547 1.00 0.00 C ATOM 604 CD LYS A 38 12.678 -2.898 -1.752 1.00 0.00 C ATOM 605 CE LYS A 38 14.148 -3.289 -1.774 1.00 0.00 C ATOM 606 NZ LYS A 38 14.450 -4.250 -2.870 1.00 0.00 N ATOM 0 H LYS A 38 9.428 0.647 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 38 10.832 -0.540 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.281 -1.672 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.377 -0.584 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.229 -1.456 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.096 -2.670 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.062 -3.797 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.430 -2.359 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.760 -2.395 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.420 -3.733 -0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.461 -4.492 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.885 -5.114 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.215 -3.817 -3.786 1.00 0.00 H new ATOM 620 N ILE A 39 12.230 1.909 -0.464 1.00 0.00 N ATOM 621 CA ILE A 39 13.344 2.850 -0.462 1.00 0.00 C ATOM 622 C ILE A 39 13.246 3.814 0.715 1.00 0.00 C ATOM 623 O ILE A 39 14.259 4.214 1.288 1.00 0.00 O ATOM 624 CB ILE A 39 13.401 3.659 -1.771 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.579 2.722 -2.968 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.529 4.678 -1.716 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.983 3.259 -4.250 1.00 0.00 C ATOM 0 H ILE A 39 11.497 2.125 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 39 14.256 2.260 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 39 12.460 4.195 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.643 2.539 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.119 1.761 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.556 5.242 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.362 5.362 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.479 4.162 -1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.147 2.543 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.913 3.416 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.460 4.206 -4.504 1.00 0.00 H new ATOM 639 N ALA A 40 12.020 4.183 1.071 1.00 0.00 N ATOM 640 CA ALA A 40 11.790 5.098 2.182 1.00 0.00 C ATOM 641 C ALA A 40 12.230 4.478 3.504 1.00 0.00 C ATOM 642 O ALA A 40 12.977 5.088 4.269 1.00 0.00 O ATOM 643 CB ALA A 40 10.321 5.492 2.245 1.00 0.00 C ATOM 0 H ALA A 40 11.171 3.862 0.606 1.00 0.00 H new ATOM 0 HA ALA A 40 12.389 5.993 2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.163 6.176 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.036 5.983 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.711 4.600 2.386 1.00 0.00 H new ATOM 649 N PHE A 41 11.762 3.262 3.767 1.00 0.00 N ATOM 650 CA PHE A 41 12.107 2.560 4.998 1.00 0.00 C ATOM 651 C PHE A 41 13.388 1.751 4.822 1.00 0.00 C ATOM 652 O PHE A 41 14.216 1.672 5.729 1.00 0.00 O ATOM 653 CB PHE A 41 10.962 1.638 5.422 1.00 0.00 C ATOM 654 CG PHE A 41 9.734 2.375 5.873 1.00 0.00 C ATOM 655 CD1 PHE A 41 8.988 3.121 4.974 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.325 2.323 7.196 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.857 3.801 5.386 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.195 3.000 7.613 1.00 0.00 C ATOM 659 CZ PHE A 41 7.461 3.741 6.708 1.00 0.00 C ATOM 0 H PHE A 41 11.143 2.743 3.144 1.00 0.00 H new ATOM 0 HA PHE A 41 12.273 3.304 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.700 0.989 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.306 0.993 6.230 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.294 3.172 3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.896 1.747 7.909 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.284 4.378 4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.886 2.950 8.647 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.579 4.273 7.033 1.00 0.00 H new ATOM 669 N GLY A 42 13.545 1.149 3.646 1.00 0.00 N ATOM 670 CA GLY A 42 14.727 0.353 3.372 1.00 0.00 C ATOM 671 C GLY A 42 14.543 -1.104 3.745 1.00 0.00 C ATOM 672 O GLY A 42 15.482 -1.757 4.201 1.00 0.00 O ATOM 0 H GLY A 42 12.875 1.199 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.973 0.425 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.573 0.762 3.924 1.00 0.00 H new ATOM 676 N GLN A 43 13.331 -1.615 3.554 1.00 0.00 N ATOM 677 CA GLN A 43 13.028 -3.004 3.876 1.00 0.00 C ATOM 678 C GLN A 43 11.777 -3.473 3.142 1.00 0.00 C ATOM 679 O GLN A 43 10.866 -2.687 2.882 1.00 0.00 O ATOM 680 CB GLN A 43 12.840 -3.170 5.385 1.00 0.00 C ATOM 681 CG GLN A 43 14.128 -3.492 6.127 1.00 0.00 C ATOM 682 CD GLN A 43 13.878 -4.085 7.499 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.332 -5.188 7.803 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.153 -3.354 8.338 1.00 0.00 N ATOM 0 H GLN A 43 12.543 -1.088 3.178 1.00 0.00 H new ATOM 0 HA GLN A 43 13.869 -3.617 3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.415 -2.253 5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.117 -3.965 5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.719 -4.191 5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.720 -2.583 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.796 -2.445 8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.953 -3.702 9.276 1.00 0.00 H new ATOM 693 N SER A 44 11.739 -4.759 2.808 1.00 0.00 N ATOM 694 CA SER A 44 10.601 -5.333 2.099 1.00 0.00 C ATOM 695 C SER A 44 9.402 -5.483 3.030 1.00 0.00 C ATOM 696 O SER A 44 9.447 -6.236 4.002 1.00 0.00 O ATOM 697 CB SER A 44 10.975 -6.692 1.506 1.00 0.00 C ATOM 698 OG SER A 44 11.125 -7.668 2.523 1.00 0.00 O ATOM 0 H SER A 44 12.484 -5.424 3.017 1.00 0.00 H new ATOM 0 HA SER A 44 10.328 -4.655 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.205 -7.010 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.904 -6.603 0.943 1.00 0.00 H new ATOM 0 HG SER A 44 10.532 -7.453 3.273 1.00 0.00 H new ATOM 704 N MET A 45 8.329 -4.761 2.723 1.00 0.00 N ATOM 705 CA MET A 45 7.116 -4.815 3.530 1.00 0.00 C ATOM 706 C MET A 45 5.874 -4.853 2.645 1.00 0.00 C ATOM 707 O MET A 45 5.854 -4.264 1.563 1.00 0.00 O ATOM 708 CB MET A 45 7.049 -3.609 4.470 1.00 0.00 C ATOM 709 CG MET A 45 7.335 -2.285 3.781 1.00 0.00 C ATOM 710 SD MET A 45 7.819 -0.990 4.938 1.00 0.00 S ATOM 711 CE MET A 45 9.181 -1.786 5.787 1.00 0.00 C ATOM 0 H MET A 45 8.275 -4.132 1.922 1.00 0.00 H new ATOM 0 HA MET A 45 7.146 -5.729 4.123 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.059 -3.567 4.923 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.765 -3.750 5.280 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.128 -2.426 3.047 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.448 -1.965 3.234 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.986 -1.066 5.939 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.840 -2.158 6.753 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.547 -2.619 5.186 1.00 0.00 H new ATOM 721 N ASP A 46 4.842 -5.548 3.110 1.00 0.00 N ATOM 722 CA ASP A 46 3.597 -5.661 2.360 1.00 0.00 C ATOM 723 C ASP A 46 2.821 -4.348 2.392 1.00 0.00 C ATOM 724 O ASP A 46 3.088 -3.477 3.221 1.00 0.00 O ATOM 725 CB ASP A 46 2.736 -6.791 2.928 1.00 0.00 C ATOM 726 CG ASP A 46 3.120 -8.148 2.372 1.00 0.00 C ATOM 727 OD1 ASP A 46 2.794 -8.421 1.198 1.00 0.00 O ATOM 728 OD2 ASP A 46 3.745 -8.937 3.111 1.00 0.00 O ATOM 0 H ASP A 46 4.843 -6.042 4.003 1.00 0.00 H new ATOM 0 HA ASP A 46 3.846 -5.889 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.832 -6.806 4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.688 -6.593 2.703 1.00 0.00 H new ATOM 733 N LEU A 47 1.861 -4.212 1.485 1.00 0.00 N ATOM 734 CA LEU A 47 1.046 -3.004 1.408 1.00 0.00 C ATOM 735 C LEU A 47 -0.428 -3.326 1.633 1.00 0.00 C ATOM 736 O LEU A 47 -1.108 -3.830 0.739 1.00 0.00 O ATOM 737 CB LEU A 47 1.230 -2.326 0.049 1.00 0.00 C ATOM 738 CG LEU A 47 2.362 -1.303 -0.043 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.713 -1.988 0.095 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.282 -0.535 -1.354 1.00 0.00 C ATOM 0 H LEU A 47 1.627 -4.923 0.792 1.00 0.00 H new ATOM 0 HA LEU A 47 1.374 -2.324 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.404 -3.099 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.296 -1.830 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 47 2.252 -0.593 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.507 -1.244 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.769 -2.491 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.833 -2.720 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.096 0.189 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.366 -1.231 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.327 -0.012 -1.412 1.00 0.00 H new ATOM 752 N HIS A 48 -0.916 -3.029 2.833 1.00 0.00 N ATOM 753 CA HIS A 48 -2.311 -3.285 3.175 1.00 0.00 C ATOM 754 C HIS A 48 -3.096 -1.979 3.266 1.00 0.00 C ATOM 755 O HIS A 48 -2.887 -1.180 4.179 1.00 0.00 O ATOM 756 CB HIS A 48 -2.403 -4.042 4.501 1.00 0.00 C ATOM 757 CG HIS A 48 -1.915 -5.455 4.418 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.809 -5.828 3.684 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.388 -6.590 4.984 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.624 -7.131 3.801 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.569 -7.617 4.585 1.00 0.00 N ATOM 0 H HIS A 48 -0.367 -2.611 3.584 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.747 -3.897 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.823 -3.510 5.255 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.440 -4.043 4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.250 -6.672 5.630 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.166 -7.702 3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.673 -8.596 4.851 1.00 0.00 H new ATOM 770 N TYR A 49 -3.998 -1.770 2.314 1.00 0.00 N ATOM 771 CA TYR A 49 -4.812 -0.560 2.285 1.00 0.00 C ATOM 772 C TYR A 49 -6.244 -0.856 2.719 1.00 0.00 C ATOM 773 O TYR A 49 -6.888 -1.768 2.200 1.00 0.00 O ATOM 774 CB TYR A 49 -4.808 0.048 0.881 1.00 0.00 C ATOM 775 CG TYR A 49 -5.967 -0.405 0.022 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.942 -1.637 -0.620 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.087 0.400 -0.148 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.998 -2.054 -1.406 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.149 -0.010 -0.931 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.099 -1.238 -1.559 1.00 0.00 C ATOM 781 OH TYR A 49 -9.154 -1.649 -2.341 1.00 0.00 O ATOM 0 H TYR A 49 -4.184 -2.422 1.552 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.380 0.155 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.831 1.135 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.874 -0.213 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.082 -2.279 -0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.128 1.362 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.962 -3.014 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.013 0.627 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.991 -1.541 -1.843 1.00 0.00 H new ATOM 791 N THR A 50 -6.737 -0.078 3.677 1.00 0.00 N ATOM 792 CA THR A 50 -8.093 -0.255 4.183 1.00 0.00 C ATOM 793 C THR A 50 -9.067 0.688 3.488 1.00 0.00 C ATOM 794 O THR A 50 -8.859 1.900 3.459 1.00 0.00 O ATOM 795 CB THR A 50 -8.160 -0.015 5.704 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.956 1.373 5.990 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.114 -0.847 6.430 1.00 0.00 C ATOM 0 H THR A 50 -6.218 0.681 4.118 1.00 0.00 H new ATOM 0 HA THR A 50 -8.377 -1.286 3.972 1.00 0.00 H new ATOM 0 HB THR A 50 -9.147 -0.316 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.099 1.899 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.181 -0.661 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.290 -1.905 6.234 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.121 -0.573 6.075 1.00 0.00 H new ATOM 805 N ASN A 51 -10.132 0.124 2.928 1.00 0.00 N ATOM 806 CA ASN A 51 -11.140 0.916 2.232 1.00 0.00 C ATOM 807 C ASN A 51 -11.957 1.746 3.218 1.00 0.00 C ATOM 808 O ASN A 51 -11.998 2.972 3.129 1.00 0.00 O ATOM 809 CB ASN A 51 -12.067 0.005 1.425 1.00 0.00 C ATOM 810 CG ASN A 51 -13.362 0.693 1.038 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.466 1.919 1.092 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.356 -0.094 0.646 1.00 0.00 N ATOM 0 H ASN A 51 -10.320 -0.879 2.942 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.626 1.595 1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.552 -0.326 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.293 -0.887 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.251 0.312 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.225 -1.105 0.617 1.00 0.00 H new ATOM 819 N ASN A 52 -12.605 1.067 4.160 1.00 0.00 N ATOM 820 CA ASN A 52 -13.420 1.741 5.163 1.00 0.00 C ATOM 821 C ASN A 52 -13.137 1.186 6.556 1.00 0.00 C ATOM 822 O ASN A 52 -12.729 1.920 7.456 1.00 0.00 O ATOM 823 CB ASN A 52 -14.906 1.585 4.832 1.00 0.00 C ATOM 824 CG ASN A 52 -15.406 2.669 3.897 1.00 0.00 C ATOM 825 OD1 ASN A 52 -14.753 3.002 2.908 1.00 0.00 O ATOM 826 ND2 ASN A 52 -16.571 3.226 4.207 1.00 0.00 N ATOM 0 H ASN A 52 -12.581 0.051 4.249 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.162 2.800 5.153 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.073 0.609 4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.486 1.609 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.958 3.961 3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.078 2.919 5.037 1.00 0.00 H new ATOM 833 N GLU A 53 -13.358 -0.114 6.725 1.00 0.00 N ATOM 834 CA GLU A 53 -13.127 -0.766 8.009 1.00 0.00 C ATOM 835 C GLU A 53 -12.285 -2.028 7.834 1.00 0.00 C ATOM 836 O GLU A 53 -11.517 -2.403 8.721 1.00 0.00 O ATOM 837 CB GLU A 53 -14.459 -1.117 8.675 1.00 0.00 C ATOM 838 CG GLU A 53 -15.524 -1.585 7.697 1.00 0.00 C ATOM 839 CD GLU A 53 -16.498 -2.565 8.321 1.00 0.00 C ATOM 840 OE1 GLU A 53 -17.004 -2.278 9.426 1.00 0.00 O ATOM 841 OE2 GLU A 53 -16.754 -3.620 7.704 1.00 0.00 O ATOM 0 H GLU A 53 -13.696 -0.736 5.990 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.582 -0.071 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.290 -1.898 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.829 -0.243 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.073 -0.721 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.043 -2.053 6.838 1.00 0.00 H new ATOM 848 N LEU A 54 -12.436 -2.678 6.686 1.00 0.00 N ATOM 849 CA LEU A 54 -11.692 -3.898 6.393 1.00 0.00 C ATOM 850 C LEU A 54 -10.292 -3.572 5.883 1.00 0.00 C ATOM 851 O LEU A 54 -9.928 -2.405 5.739 1.00 0.00 O ATOM 852 CB LEU A 54 -12.440 -4.741 5.360 1.00 0.00 C ATOM 853 CG LEU A 54 -13.622 -5.556 5.887 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.303 -6.304 4.751 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.162 -6.525 6.966 1.00 0.00 C ATOM 0 H LEU A 54 -13.067 -2.381 5.942 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.599 -4.468 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.803 -4.079 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.730 -5.426 4.897 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.345 -4.869 6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.142 -6.878 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.667 -5.590 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.589 -6.980 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.016 -7.097 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.420 -7.206 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.721 -5.967 7.792 1.00 0.00 H new ATOM 867 N VAL A 55 -9.510 -4.612 5.609 1.00 0.00 N ATOM 868 CA VAL A 55 -8.151 -4.437 5.112 1.00 0.00 C ATOM 869 C VAL A 55 -7.907 -5.285 3.869 1.00 0.00 C ATOM 870 O VAL A 55 -8.172 -6.488 3.864 1.00 0.00 O ATOM 871 CB VAL A 55 -7.109 -4.805 6.184 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.699 -4.636 5.639 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.310 -3.963 7.434 1.00 0.00 C ATOM 0 H VAL A 55 -9.795 -5.585 5.723 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.041 -3.383 4.857 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.246 -5.852 6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.976 -4.901 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.562 -5.287 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.547 -3.599 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.565 -4.237 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.202 -2.908 7.183 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.308 -4.140 7.835 1.00 0.00 H new ATOM 883 N ILE A 56 -7.401 -4.651 2.816 1.00 0.00 N ATOM 884 CA ILE A 56 -7.120 -5.348 1.568 1.00 0.00 C ATOM 885 C ILE A 56 -5.624 -5.368 1.273 1.00 0.00 C ATOM 886 O ILE A 56 -5.029 -4.361 0.888 1.00 0.00 O ATOM 887 CB ILE A 56 -7.857 -4.698 0.382 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.324 -4.451 0.738 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.747 -5.577 -0.856 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.558 -3.145 1.465 1.00 0.00 C ATOM 0 H ILE A 56 -7.178 -3.656 2.803 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.477 -6.371 1.691 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.389 -3.738 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.918 -4.460 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.682 -5.272 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.273 -5.104 -1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.697 -5.706 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.192 -6.551 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.620 -3.037 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.992 -3.140 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.231 -2.316 0.838 1.00 0.00 H new ATOM 902 N PRO A 57 -5.000 -6.541 1.458 1.00 0.00 N ATOM 903 CA PRO A 57 -3.565 -6.721 1.216 1.00 0.00 C ATOM 904 C PRO A 57 -3.215 -6.655 -0.267 1.00 0.00 C ATOM 905 O PRO A 57 -3.404 -7.625 -1.003 1.00 0.00 O ATOM 906 CB PRO A 57 -3.285 -8.119 1.770 1.00 0.00 C ATOM 907 CG PRO A 57 -4.592 -8.829 1.688 1.00 0.00 C ATOM 908 CD PRO A 57 -5.647 -7.782 1.916 1.00 0.00 C ATOM 0 HA PRO A 57 -2.971 -5.936 1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.520 -8.630 1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.924 -8.072 2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.718 -9.304 0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.656 -9.617 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.554 -7.995 1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.934 -7.722 2.966 1.00 0.00 H new ATOM 916 N LEU A 58 -2.703 -5.508 -0.699 1.00 0.00 N ATOM 917 CA LEU A 58 -2.326 -5.317 -2.095 1.00 0.00 C ATOM 918 C LEU A 58 -1.192 -6.259 -2.487 1.00 0.00 C ATOM 919 O LEU A 58 -0.026 -6.008 -2.178 1.00 0.00 O ATOM 920 CB LEU A 58 -1.904 -3.866 -2.336 1.00 0.00 C ATOM 921 CG LEU A 58 -3.039 -2.847 -2.443 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.576 -1.480 -1.965 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.551 -2.768 -3.874 1.00 0.00 C ATOM 0 H LEU A 58 -2.539 -4.697 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.194 -5.545 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.244 -3.561 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.319 -3.826 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.858 -3.175 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.397 -0.768 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.258 -1.547 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.740 -1.144 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.358 -2.038 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.739 -2.464 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.923 -3.745 -4.182 1.00 0.00 H new ATOM 935 N THR A 59 -1.540 -7.345 -3.171 1.00 0.00 N ATOM 936 CA THR A 59 -0.553 -8.324 -3.606 1.00 0.00 C ATOM 937 C THR A 59 -0.467 -8.380 -5.126 1.00 0.00 C ATOM 938 O THR A 59 0.622 -8.471 -5.695 1.00 0.00 O ATOM 939 CB THR A 59 -0.882 -9.730 -3.069 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.184 -10.130 -3.511 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.825 -9.756 -1.549 1.00 0.00 C ATOM 0 H THR A 59 -2.500 -7.568 -3.435 1.00 0.00 H new ATOM 0 HA THR A 59 0.408 -8.005 -3.202 1.00 0.00 H new ATOM 0 HB THR A 59 -0.138 -10.427 -3.455 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.385 -11.025 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.061 -10.759 -1.193 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.176 -9.479 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.549 -9.048 -1.146 1.00 0.00 H new ATOM 949 N THR A 60 -1.622 -8.324 -5.783 1.00 0.00 N ATOM 950 CA THR A 60 -1.677 -8.368 -7.238 1.00 0.00 C ATOM 951 C THR A 60 -2.138 -7.034 -7.812 1.00 0.00 C ATOM 952 O THR A 60 -2.853 -6.279 -7.154 1.00 0.00 O ATOM 953 CB THR A 60 -2.622 -9.480 -7.731 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.924 -9.305 -7.161 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.082 -10.853 -7.361 1.00 0.00 C ATOM 0 H THR A 60 -2.532 -8.248 -5.329 1.00 0.00 H new ATOM 0 HA THR A 60 -0.666 -8.580 -7.586 1.00 0.00 H new ATOM 0 HB THR A 60 -2.689 -9.414 -8.817 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.519 -10.015 -7.481 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.766 -11.622 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.104 -10.995 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.988 -10.927 -6.278 1.00 0.00 H new ATOM 963 N GLN A 61 -1.724 -6.750 -9.043 1.00 0.00 N ATOM 964 CA GLN A 61 -2.096 -5.505 -9.705 1.00 0.00 C ATOM 965 C GLN A 61 -3.608 -5.308 -9.685 1.00 0.00 C ATOM 966 O GLN A 61 -4.099 -4.227 -9.358 1.00 0.00 O ATOM 967 CB GLN A 61 -1.589 -5.498 -11.148 1.00 0.00 C ATOM 968 CG GLN A 61 -1.284 -4.107 -11.679 1.00 0.00 C ATOM 969 CD GLN A 61 -2.463 -3.163 -11.554 1.00 0.00 C ATOM 970 OE1 GLN A 61 -3.599 -3.527 -11.860 1.00 0.00 O ATOM 971 NE2 GLN A 61 -2.200 -1.943 -11.102 1.00 0.00 N ATOM 0 H GLN A 61 -1.132 -7.364 -9.601 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.633 -4.682 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.687 -6.107 -11.210 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.336 -5.967 -11.789 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.434 -3.694 -11.137 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.990 -4.178 -12.726 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.244 -1.684 -10.860 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.954 -1.265 -10.996 1.00 0.00 H new ATOM 980 N ASP A 62 -4.341 -6.359 -10.036 1.00 0.00 N ATOM 981 CA ASP A 62 -5.799 -6.302 -10.057 1.00 0.00 C ATOM 982 C ASP A 62 -6.332 -5.571 -8.829 1.00 0.00 C ATOM 983 O ASP A 62 -7.229 -4.734 -8.933 1.00 0.00 O ATOM 984 CB ASP A 62 -6.384 -7.713 -10.121 1.00 0.00 C ATOM 985 CG ASP A 62 -6.099 -8.399 -11.443 1.00 0.00 C ATOM 986 OD1 ASP A 62 -6.844 -8.149 -12.413 1.00 0.00 O ATOM 987 OD2 ASP A 62 -5.132 -9.186 -11.507 1.00 0.00 O ATOM 0 H ASP A 62 -3.950 -7.260 -10.310 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.104 -5.750 -10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.972 -8.311 -9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.462 -7.664 -9.966 1.00 0.00 H new ATOM 992 N ASP A 63 -5.775 -5.895 -7.667 1.00 0.00 N ATOM 993 CA ASP A 63 -6.195 -5.270 -6.418 1.00 0.00 C ATOM 994 C ASP A 63 -5.932 -3.767 -6.447 1.00 0.00 C ATOM 995 O ASP A 63 -6.814 -2.966 -6.135 1.00 0.00 O ATOM 996 CB ASP A 63 -5.464 -5.905 -5.234 1.00 0.00 C ATOM 997 CG ASP A 63 -5.838 -7.360 -5.035 1.00 0.00 C ATOM 998 OD1 ASP A 63 -7.015 -7.708 -5.270 1.00 0.00 O ATOM 999 OD2 ASP A 63 -4.955 -8.152 -4.645 1.00 0.00 O ATOM 0 H ASP A 63 -5.032 -6.586 -7.564 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.267 -5.431 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.388 -5.828 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.694 -5.346 -4.327 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.715 -3.392 -6.822 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.335 -1.985 -6.892 1.00 0.00 C ATOM 1006 C LEU A 64 -5.303 -1.203 -7.774 1.00 0.00 C ATOM 1007 O LEU A 64 -5.902 -0.220 -7.336 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.910 -1.847 -7.431 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.496 -0.446 -7.882 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.583 0.536 -6.724 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.090 -0.466 -8.462 1.00 0.00 C ATOM 0 H LEU A 64 -3.974 -4.042 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.377 -1.572 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.217 -2.178 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.795 -2.527 -8.275 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.184 -0.118 -8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.285 1.527 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.608 0.573 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.919 0.213 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.812 0.540 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.389 -0.815 -7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.060 -1.137 -9.320 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.451 -1.646 -9.017 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.349 -0.989 -9.961 1.00 0.00 C ATOM 1025 C ASP A 65 -7.738 -0.810 -9.355 1.00 0.00 C ATOM 1026 O ASP A 65 -8.395 0.208 -9.571 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.444 -1.799 -11.255 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.705 -0.925 -12.466 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -6.358 0.273 -12.419 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -7.257 -1.440 -13.462 1.00 0.00 O ATOM 0 H ASP A 65 -4.961 -2.457 -9.395 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.941 -0.004 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.517 -2.353 -11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.243 -2.535 -11.162 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.180 -1.808 -8.597 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.490 -1.762 -7.959 1.00 0.00 C ATOM 1037 C LYS A 66 -9.467 -0.856 -6.732 1.00 0.00 C ATOM 1038 O LYS A 66 -10.508 -0.383 -6.278 1.00 0.00 O ATOM 1039 CB LYS A 66 -9.934 -3.170 -7.557 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.713 -3.895 -8.642 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.689 -4.898 -8.052 1.00 0.00 C ATOM 1042 CE LYS A 66 -11.968 -6.039 -9.018 1.00 0.00 C ATOM 1043 NZ LYS A 66 -12.851 -5.614 -10.139 1.00 0.00 N ATOM 0 H LYS A 66 -7.650 -2.659 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.201 -1.354 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.054 -3.759 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.550 -3.105 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.257 -3.170 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.019 -4.409 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.284 -5.298 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.623 -4.395 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.026 -6.413 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.435 -6.864 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.017 -6.420 -10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.759 -5.281 -9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.394 -4.844 -10.668 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.272 -0.617 -6.201 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.113 0.236 -5.029 1.00 0.00 C ATOM 1059 C ALA A 67 -7.949 1.697 -5.432 1.00 0.00 C ATOM 1060 O ALA A 67 -8.256 2.603 -4.657 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.922 -0.223 -4.201 1.00 0.00 C ATOM 0 H ALA A 67 -7.400 -1.002 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.016 0.153 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.815 0.422 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.080 -1.251 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.017 -0.170 -4.805 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.463 1.920 -6.649 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.259 3.272 -7.154 1.00 0.00 C ATOM 1069 C VAL A 68 -8.540 3.831 -7.763 1.00 0.00 C ATOM 1070 O VAL A 68 -8.773 5.039 -7.741 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.140 3.313 -8.213 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.981 4.720 -8.768 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.830 2.813 -7.623 1.00 0.00 C ATOM 0 H VAL A 68 -7.203 1.182 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.967 3.887 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.417 2.653 -9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.186 4.729 -9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.916 5.037 -9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.726 5.404 -7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.051 2.849 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.545 3.445 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.954 1.786 -7.279 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.367 2.943 -8.305 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.625 3.349 -8.921 1.00 0.00 C ATOM 1085 C GLU A 69 -11.665 3.693 -7.858 1.00 0.00 C ATOM 1086 O GLU A 69 -12.443 4.635 -8.016 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.157 2.237 -9.827 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.717 1.047 -9.067 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.384 0.034 -9.978 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.138 0.453 -10.881 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.152 -1.178 -9.787 1.00 0.00 O ATOM 0 H GLU A 69 -9.189 1.939 -8.330 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.435 4.239 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.936 2.646 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.353 1.895 -10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.912 0.560 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.439 1.398 -8.330 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.671 2.924 -6.774 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.615 3.146 -5.684 1.00 0.00 C ATOM 1100 C LEU A 70 -12.254 4.404 -4.900 1.00 0.00 C ATOM 1101 O LEU A 70 -13.127 5.082 -4.356 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.638 1.937 -4.748 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.647 1.970 -3.584 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.178 2.841 -2.456 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.364 0.561 -3.084 1.00 0.00 C ATOM 0 H LEU A 70 -11.033 2.142 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.606 3.281 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.644 1.838 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.444 1.042 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.712 2.402 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.460 2.853 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.329 3.857 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.127 2.438 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.657 0.604 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.293 0.102 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.940 -0.034 -3.893 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.963 4.711 -4.846 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.486 5.889 -4.130 1.00 0.00 C ATOM 1119 C LEU A 71 -10.970 7.169 -4.803 1.00 0.00 C ATOM 1120 O LEU A 71 -11.537 8.048 -4.153 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.958 5.883 -4.059 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.287 7.250 -3.922 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.611 7.871 -2.573 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.781 7.127 -4.107 1.00 0.00 C ATOM 0 H LEU A 71 -10.228 4.161 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.891 5.857 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.656 5.266 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.574 5.401 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.676 7.904 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.125 8.843 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.690 7.996 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.251 7.219 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.321 8.110 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.375 6.457 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.568 6.726 -5.098 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.745 7.266 -6.109 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.161 8.437 -6.871 1.00 0.00 C ATOM 1138 C ASP A 72 -12.654 8.699 -6.694 1.00 0.00 C ATOM 1139 O ASP A 72 -13.056 9.768 -6.235 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.837 8.248 -8.354 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.593 9.565 -9.065 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.582 10.243 -9.413 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.413 9.916 -9.275 1.00 0.00 O ATOM 0 H ASP A 72 -10.277 6.548 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.612 9.299 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.954 7.616 -8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.660 7.724 -8.839 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.470 7.716 -7.060 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.917 7.841 -6.943 1.00 0.00 C ATOM 1150 C ARG A 73 -15.317 8.226 -5.522 1.00 0.00 C ATOM 1151 O ARG A 73 -16.223 9.035 -5.319 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.597 6.528 -7.338 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.433 5.423 -6.307 1.00 0.00 C ATOM 1154 CD ARG A 73 -16.326 4.233 -6.619 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.706 4.460 -6.200 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.653 3.529 -6.254 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -18.369 2.316 -6.706 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.886 3.812 -5.854 1.00 0.00 N ATOM 0 H ARG A 73 -13.153 6.824 -7.440 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.244 8.630 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.660 6.712 -7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.188 6.189 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.392 5.101 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.673 5.810 -5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.301 4.032 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.936 3.346 -6.119 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.957 5.383 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.422 2.095 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.098 1.603 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.108 4.744 -5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.612 3.097 -5.896 1.00 0.00 H new ATOM 1172 N SER A 74 -14.635 7.641 -4.542 1.00 0.00 N ATOM 1173 CA SER A 74 -14.922 7.920 -3.140 1.00 0.00 C ATOM 1174 C SER A 74 -14.754 9.406 -2.836 1.00 0.00 C ATOM 1175 O SER A 74 -13.661 9.958 -2.968 1.00 0.00 O ATOM 1176 CB SER A 74 -14.003 7.096 -2.236 1.00 0.00 C ATOM 1177 OG SER A 74 -14.539 5.804 -2.006 1.00 0.00 O ATOM 0 H SER A 74 -13.881 6.971 -4.693 1.00 0.00 H new ATOM 0 HA SER A 74 -15.958 7.642 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.019 7.008 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.866 7.611 -1.285 1.00 0.00 H new ATOM 0 HG SER A 74 -14.247 5.197 -2.718 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.844 10.047 -2.428 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.818 11.468 -2.104 1.00 0.00 C ATOM 1185 C ILE A 75 -15.297 11.700 -0.690 1.00 0.00 C ATOM 1186 O ILE A 75 -14.469 12.581 -0.459 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.216 12.101 -2.235 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.722 11.981 -3.674 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.180 13.558 -1.800 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -18.503 10.712 -3.936 1.00 0.00 C ATOM 0 H ILE A 75 -16.756 9.605 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.145 11.942 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.904 11.564 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -18.353 12.840 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.871 12.022 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -18.175 13.992 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.858 13.619 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.481 14.108 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -18.830 10.694 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.869 9.847 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.373 10.679 -3.281 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.786 10.901 0.253 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.368 11.018 1.646 1.00 0.00 C ATOM 1204 C HIS A 76 -13.874 10.744 1.789 1.00 0.00 C ATOM 1205 O HIS A 76 -13.179 11.422 2.546 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.162 10.048 2.522 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.336 8.692 1.909 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -17.135 8.272 0.901 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.637 7.581 2.332 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.907 6.928 0.734 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.999 6.536 1.609 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.471 10.166 0.078 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.566 12.038 1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.657 9.942 3.482 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.144 10.475 2.724 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.908 7.567 3.129 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.392 6.295 0.006 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.638 5.587 1.710 1.00 0.00 H new ATOM 1220 N MET A 77 -13.387 9.746 1.058 1.00 0.00 N ATOM 1221 CA MET A 77 -11.975 9.384 1.105 1.00 0.00 C ATOM 1222 C MET A 77 -11.132 10.381 0.316 1.00 0.00 C ATOM 1223 O MET A 77 -11.462 10.730 -0.817 1.00 0.00 O ATOM 1224 CB MET A 77 -11.770 7.974 0.548 1.00 0.00 C ATOM 1225 CG MET A 77 -10.390 7.403 0.831 1.00 0.00 C ATOM 1226 SD MET A 77 -10.394 5.605 0.956 1.00 0.00 S ATOM 1227 CE MET A 77 -9.265 5.172 -0.366 1.00 0.00 C ATOM 0 H MET A 77 -13.949 9.174 0.427 1.00 0.00 H new ATOM 0 HA MET A 77 -11.654 9.407 2.146 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.523 7.311 0.974 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.933 7.991 -0.530 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.706 7.707 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.009 7.827 1.760 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.107 4.094 -0.371 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.688 5.481 -1.322 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.312 5.678 -0.211 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.042 10.837 0.924 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.150 11.794 0.279 1.00 0.00 C ATOM 1239 C LYS A 78 -7.975 11.082 -0.383 1.00 0.00 C ATOM 1240 O LYS A 78 -7.708 11.274 -1.569 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.634 12.810 1.300 1.00 0.00 C ATOM 1242 CG LYS A 78 -8.247 14.145 0.688 1.00 0.00 C ATOM 1243 CD LYS A 78 -9.426 15.103 0.645 1.00 0.00 C ATOM 1244 CE LYS A 78 -10.316 14.837 -0.560 1.00 0.00 C ATOM 1245 NZ LYS A 78 -11.057 16.058 -0.981 1.00 0.00 N ATOM 0 H LYS A 78 -9.755 10.559 1.863 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.716 12.318 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.402 12.975 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.768 12.390 1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.437 14.590 1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.869 13.987 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.011 15.004 1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.061 16.130 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.707 14.478 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.026 14.046 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.652 15.836 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.658 16.387 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.379 16.805 -1.235 1.00 0.00 H new ATOM 1259 N SER A 79 -7.276 10.258 0.392 1.00 0.00 N ATOM 1260 CA SER A 79 -6.127 9.519 -0.119 1.00 0.00 C ATOM 1261 C SER A 79 -6.260 8.030 0.186 1.00 0.00 C ATOM 1262 O SER A 79 -7.115 7.619 0.972 1.00 0.00 O ATOM 1263 CB SER A 79 -4.833 10.062 0.488 1.00 0.00 C ATOM 1264 OG SER A 79 -4.856 9.972 1.902 1.00 0.00 O ATOM 0 H SER A 79 -7.485 10.086 1.375 1.00 0.00 H new ATOM 0 HA SER A 79 -6.094 9.649 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.982 9.503 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.695 11.101 0.189 1.00 0.00 H new ATOM 0 HG SER A 79 -4.017 10.324 2.266 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.409 7.225 -0.441 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.429 5.781 -0.237 1.00 0.00 C ATOM 1272 C LEU A 80 -4.610 5.392 0.989 1.00 0.00 C ATOM 1273 O LEU A 80 -3.379 5.386 0.951 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.888 5.064 -1.475 1.00 0.00 C ATOM 1275 CG LEU A 80 -5.124 3.554 -1.533 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.556 3.254 -1.951 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.139 2.897 -2.489 1.00 0.00 C ATOM 0 H LEU A 80 -4.696 7.548 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.462 5.477 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.339 5.516 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.815 5.246 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.963 3.141 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.706 2.175 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.245 3.692 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.744 3.680 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.321 1.823 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.268 3.314 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.121 3.083 -2.147 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.300 5.067 2.077 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.638 4.673 3.315 1.00 0.00 C ATOM 1291 C LYS A 81 -3.928 3.333 3.149 1.00 0.00 C ATOM 1292 O LYS A 81 -4.550 2.330 2.801 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.654 4.586 4.456 1.00 0.00 C ATOM 1294 CG LYS A 81 -5.018 4.526 5.834 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.993 4.955 6.917 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.573 4.434 8.283 1.00 0.00 C ATOM 1297 NZ LYS A 81 -4.664 5.383 8.983 1.00 0.00 N ATOM 0 H LYS A 81 -6.319 5.069 2.126 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.894 5.432 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.316 5.450 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.274 3.701 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.675 3.511 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.139 5.170 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.053 6.043 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.990 4.587 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.459 4.262 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.074 3.472 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.868 4.859 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.301 6.082 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.187 5.873 9.737 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.623 3.325 3.403 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.830 2.108 3.284 1.00 0.00 C ATOM 1313 C ILE A 82 -1.178 1.745 4.614 1.00 0.00 C ATOM 1314 O ILE A 82 -0.796 2.622 5.390 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.736 2.251 2.210 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.341 2.755 0.898 1.00 0.00 C ATOM 1317 CG2 ILE A 82 -0.026 0.923 1.997 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.277 1.763 0.244 1.00 0.00 C ATOM 0 H ILE A 82 -2.093 4.147 3.692 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.515 1.313 2.989 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.003 2.981 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.882 3.681 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.535 2.994 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.744 1.040 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.434 0.602 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.747 0.173 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.668 2.187 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.735 0.844 0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.103 1.542 0.920 1.00 0.00 H new ATOM 1330 N LEU A 83 -1.051 0.448 4.870 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.442 -0.032 6.105 1.00 0.00 C ATOM 1332 C LEU A 83 0.707 -0.991 5.809 1.00 0.00 C ATOM 1333 O LEU A 83 0.488 -2.141 5.427 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.489 -0.727 6.977 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.514 0.186 7.652 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.856 1.005 8.751 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.173 1.097 6.627 1.00 0.00 C ATOM 0 H LEU A 83 -1.362 -0.290 4.239 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.044 0.829 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.025 -1.448 6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.970 -1.292 7.751 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.286 -0.437 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.600 1.649 9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.432 0.336 9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.064 1.619 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.899 1.739 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.413 1.713 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.679 0.492 5.875 1.00 0.00 H new ATOM 1349 N LEU A 84 1.933 -0.511 5.991 1.00 0.00 N ATOM 1350 CA LEU A 84 3.118 -1.326 5.746 1.00 0.00 C ATOM 1351 C LEU A 84 3.317 -2.346 6.862 1.00 0.00 C ATOM 1352 O LEU A 84 3.355 -1.992 8.041 1.00 0.00 O ATOM 1353 CB LEU A 84 4.356 -0.436 5.624 1.00 0.00 C ATOM 1354 CG LEU A 84 4.272 0.696 4.601 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.482 1.610 4.714 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.156 0.134 3.191 1.00 0.00 C ATOM 0 H LEU A 84 2.132 0.438 6.307 1.00 0.00 H new ATOM 0 HA LEU A 84 2.972 -1.865 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.563 -0.000 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.208 -1.066 5.369 1.00 0.00 H new ATOM 0 HG LEU A 84 3.378 1.283 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.404 2.410 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.520 2.041 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.390 1.036 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.097 0.955 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.031 -0.478 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.257 -0.478 3.116 1.00 0.00 H new ATOM 1368 N VAL A 85 3.447 -3.613 6.483 1.00 0.00 N ATOM 1369 CA VAL A 85 3.646 -4.685 7.451 1.00 0.00 C ATOM 1370 C VAL A 85 4.901 -5.488 7.130 1.00 0.00 C ATOM 1371 O VAL A 85 5.033 -6.044 6.039 1.00 0.00 O ATOM 1372 CB VAL A 85 2.436 -5.637 7.492 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.665 -6.748 8.505 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.164 -4.867 7.811 1.00 0.00 C ATOM 0 H VAL A 85 3.418 -3.923 5.512 1.00 0.00 H new ATOM 0 HA VAL A 85 3.760 -4.213 8.427 1.00 0.00 H new ATOM 0 HB VAL A 85 2.320 -6.093 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.800 -7.411 8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.553 -7.316 8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.807 -6.314 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.319 -5.555 7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.266 -4.382 8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.994 -4.111 7.044 1.00 0.00 H new ATOM 1384 N ILE A 86 5.821 -5.547 8.087 1.00 0.00 N ATOM 1385 CA ILE A 86 7.065 -6.284 7.907 1.00 0.00 C ATOM 1386 C ILE A 86 6.795 -7.716 7.457 1.00 0.00 C ATOM 1387 O ILE A 86 6.114 -8.476 8.144 1.00 0.00 O ATOM 1388 CB ILE A 86 7.895 -6.314 9.204 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.200 -4.890 9.674 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.183 -7.095 8.991 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.161 -4.149 8.770 1.00 0.00 C ATOM 0 H ILE A 86 5.728 -5.093 8.995 1.00 0.00 H new ATOM 0 HA ILE A 86 7.631 -5.763 7.135 1.00 0.00 H new ATOM 0 HB ILE A 86 7.314 -6.815 9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.267 -4.329 9.737 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.617 -4.929 10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.758 -7.107 9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.944 -8.118 8.699 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.770 -6.621 8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.332 -3.147 9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.108 -4.688 8.726 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.737 -4.078 7.768 1.00 0.00 H new