USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=16 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 74 SER OG : rot 150:sc= -0.753 USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= 0.254 F(o=-2.6!,f=-0.5) USER MOD Set 2.1: A 50 THR OG1 : rot -36:sc= 0.418 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 140:sc= 0.776 (180deg=-0.213) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -1.41 K(o=-4.6,f=-6.1) USER MOD Set 3.2: A 45 MET CE :methyl -122:sc= -3.17 (180deg=-8.46!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= -0.891 (180deg=-2.47!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -161:sc= -0.035 (180deg=-0.219) USER MOD Single : A 43 GLN : amide:sc= -0.0395 X(o=-0.039,f=0.17) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-5.3!) USER MOD Single : A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.65! C(o=-1.6!,f=-3.6!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -7:sc= 0.85 USER MOD Single : A 61 GLN :FLIP amide:sc= -1.63! C(o=-3.6!,f=-1.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -143:sc= 0 (180deg=-0.111) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 6:sc= -0.708 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.402 12.749 -10.037 1.00 0.00 N ATOM 67 CA ASP A 8 -0.782 11.617 -9.360 1.00 0.00 C ATOM 68 C ASP A 8 -1.728 11.019 -8.323 1.00 0.00 C ATOM 69 O ASP A 8 -2.742 11.622 -7.972 1.00 0.00 O ATOM 70 CB ASP A 8 0.523 12.049 -8.689 1.00 0.00 C ATOM 71 CG ASP A 8 1.290 13.063 -9.514 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.600 12.761 -10.685 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.582 14.158 -8.988 1.00 0.00 O ATOM 0 HA ASP A 8 -0.562 10.854 -10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.301 12.474 -7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.149 11.173 -8.521 1.00 0.00 H new ATOM 78 N VAL A 9 -1.390 9.828 -7.838 1.00 0.00 N ATOM 79 CA VAL A 9 -2.210 9.149 -6.842 1.00 0.00 C ATOM 80 C VAL A 9 -1.542 9.173 -5.472 1.00 0.00 C ATOM 81 O VAL A 9 -0.724 8.309 -5.152 1.00 0.00 O ATOM 82 CB VAL A 9 -2.481 7.686 -7.242 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.256 6.968 -6.147 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.232 7.627 -8.564 1.00 0.00 C ATOM 0 H VAL A 9 -0.555 9.314 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.157 9.686 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.525 7.179 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.438 5.936 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.677 6.981 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.209 7.472 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.415 6.587 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.184 8.150 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.636 8.103 -9.343 1.00 0.00 H new ATOM 94 N ARG A 10 -1.895 10.168 -4.665 1.00 0.00 N ATOM 95 CA ARG A 10 -1.330 10.306 -3.328 1.00 0.00 C ATOM 96 C ARG A 10 -1.556 9.039 -2.509 1.00 0.00 C ATOM 97 O ARG A 10 -2.677 8.539 -2.417 1.00 0.00 O ATOM 98 CB ARG A 10 -1.948 11.508 -2.611 1.00 0.00 C ATOM 99 CG ARG A 10 -1.196 11.922 -1.357 1.00 0.00 C ATOM 100 CD ARG A 10 -1.827 13.142 -0.706 1.00 0.00 C ATOM 101 NE ARG A 10 -1.033 13.637 0.415 1.00 0.00 N ATOM 102 CZ ARG A 10 -1.299 14.766 1.062 1.00 0.00 C ATOM 103 NH1 ARG A 10 -2.333 15.513 0.702 1.00 0.00 N ATOM 104 NH2 ARG A 10 -0.529 15.150 2.073 1.00 0.00 N ATOM 0 H ARG A 10 -2.570 10.891 -4.914 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.256 10.465 -3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.982 12.353 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.978 11.271 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.186 11.094 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.158 12.139 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.938 13.932 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.828 12.889 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.230 13.086 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.927 15.221 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.534 16.379 1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.268 14.578 2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.734 16.017 2.569 1.00 0.00 H new ATOM 118 N VAL A 11 -0.483 8.525 -1.915 1.00 0.00 N ATOM 119 CA VAL A 11 -0.565 7.317 -1.102 1.00 0.00 C ATOM 120 C VAL A 11 0.067 7.533 0.268 1.00 0.00 C ATOM 121 O VAL A 11 1.259 7.823 0.377 1.00 0.00 O ATOM 122 CB VAL A 11 0.129 6.128 -1.794 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.150 4.915 -0.876 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.562 5.801 -3.109 1.00 0.00 C ATOM 0 H VAL A 11 0.452 8.926 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.624 7.089 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 11 1.160 6.407 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.644 4.085 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.693 5.159 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.872 4.631 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.059 4.959 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.603 5.541 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.519 6.668 -3.768 1.00 0.00 H new ATOM 134 N LYS A 12 -0.739 7.390 1.314 1.00 0.00 N ATOM 135 CA LYS A 12 -0.260 7.567 2.680 1.00 0.00 C ATOM 136 C LYS A 12 0.154 6.231 3.289 1.00 0.00 C ATOM 137 O LYS A 12 -0.649 5.302 3.377 1.00 0.00 O ATOM 138 CB LYS A 12 -1.344 8.218 3.542 1.00 0.00 C ATOM 139 CG LYS A 12 -0.813 8.831 4.826 1.00 0.00 C ATOM 140 CD LYS A 12 -1.786 9.845 5.404 1.00 0.00 C ATOM 141 CE LYS A 12 -1.812 11.125 4.582 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.776 12.118 5.131 1.00 0.00 N ATOM 0 H LYS A 12 -1.728 7.152 1.242 1.00 0.00 H new ATOM 0 HA LYS A 12 0.613 8.219 2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.844 8.992 2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.097 7.470 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.629 8.044 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.144 9.314 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.786 9.413 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.504 10.077 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.814 11.562 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.080 10.890 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.764 12.976 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.733 11.711 5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.506 12.362 6.105 1.00 0.00 H new ATOM 156 N PHE A 13 1.411 6.142 3.710 1.00 0.00 N ATOM 157 CA PHE A 13 1.932 4.920 4.311 1.00 0.00 C ATOM 158 C PHE A 13 1.844 4.983 5.833 1.00 0.00 C ATOM 159 O PHE A 13 1.833 6.064 6.420 1.00 0.00 O ATOM 160 CB PHE A 13 3.382 4.693 3.882 1.00 0.00 C ATOM 161 CG PHE A 13 3.514 4.072 2.520 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.750 2.971 2.170 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.402 4.591 1.591 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.870 2.397 0.918 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.526 4.022 0.337 1.00 0.00 C ATOM 166 CZ PHE A 13 3.758 2.924 0.000 1.00 0.00 C ATOM 0 H PHE A 13 2.088 6.902 3.646 1.00 0.00 H new ATOM 0 HA PHE A 13 1.323 4.086 3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.909 5.647 3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.873 4.052 4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.053 2.556 2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.004 5.450 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.270 1.537 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.222 4.435 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.852 2.478 -0.979 1.00 0.00 H new ATOM 176 N GLU A 14 1.782 3.815 6.465 1.00 0.00 N ATOM 177 CA GLU A 14 1.693 3.737 7.919 1.00 0.00 C ATOM 178 C GLU A 14 2.442 2.516 8.445 1.00 0.00 C ATOM 179 O GLU A 14 2.168 1.385 8.042 1.00 0.00 O ATOM 180 CB GLU A 14 0.229 3.682 8.361 1.00 0.00 C ATOM 181 CG GLU A 14 -0.384 5.050 8.607 1.00 0.00 C ATOM 182 CD GLU A 14 -1.888 4.989 8.794 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.494 3.972 8.397 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.458 5.959 9.336 1.00 0.00 O ATOM 0 H GLU A 14 1.792 2.910 5.994 1.00 0.00 H new ATOM 0 HA GLU A 14 2.156 4.632 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.353 3.164 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.156 3.091 9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.071 5.494 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.152 5.705 7.767 1.00 0.00 H new ATOM 191 N HIS A 15 3.389 2.753 9.347 1.00 0.00 N ATOM 192 CA HIS A 15 4.177 1.673 9.929 1.00 0.00 C ATOM 193 C HIS A 15 4.491 1.957 11.395 1.00 0.00 C ATOM 194 O HIS A 15 5.334 2.799 11.707 1.00 0.00 O ATOM 195 CB HIS A 15 5.476 1.482 9.145 1.00 0.00 C ATOM 196 CG HIS A 15 6.105 0.137 9.346 1.00 0.00 C ATOM 197 ND1 HIS A 15 6.379 -0.387 10.591 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.512 -0.792 8.450 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.929 -1.580 10.453 1.00 0.00 C ATOM 200 NE2 HIS A 15 7.020 -1.850 9.163 1.00 0.00 N ATOM 0 H HIS A 15 3.629 3.683 9.690 1.00 0.00 H new ATOM 0 HA HIS A 15 3.589 0.757 9.873 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.274 1.625 8.083 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.186 2.254 9.441 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.187 0.074 11.480 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.449 -0.716 7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.250 -2.225 11.258 1.00 0.00 H new ATOM 209 N ARG A 16 3.806 1.252 12.289 1.00 0.00 N ATOM 210 CA ARG A 16 4.010 1.430 13.722 1.00 0.00 C ATOM 211 C ARG A 16 4.096 2.912 14.078 1.00 0.00 C ATOM 212 O ARG A 16 4.853 3.305 14.964 1.00 0.00 O ATOM 213 CB ARG A 16 5.285 0.713 14.170 1.00 0.00 C ATOM 214 CG ARG A 16 5.202 -0.801 14.063 1.00 0.00 C ATOM 215 CD ARG A 16 6.570 -1.419 13.824 1.00 0.00 C ATOM 216 NE ARG A 16 7.352 -1.510 15.054 1.00 0.00 N ATOM 217 CZ ARG A 16 8.673 -1.647 15.077 1.00 0.00 C ATOM 218 NH1 ARG A 16 9.356 -1.708 13.943 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.313 -1.724 16.237 1.00 0.00 N ATOM 0 H ARG A 16 3.105 0.552 12.047 1.00 0.00 H new ATOM 0 HA ARG A 16 3.156 0.997 14.242 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.121 1.066 13.567 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.500 0.984 15.203 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.773 -1.208 14.978 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.531 -1.073 13.248 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.448 -2.415 13.397 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.114 -0.823 13.092 1.00 0.00 H new ATOM 0 HE ARG A 16 6.856 -1.466 15.944 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.867 -1.650 13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.370 -1.813 13.964 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.790 -1.678 17.112 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.327 -1.829 16.254 1.00 0.00 H new ATOM 233 N GLY A 17 3.312 3.729 13.380 1.00 0.00 N ATOM 234 CA GLY A 17 3.315 5.157 13.637 1.00 0.00 C ATOM 235 C GLY A 17 3.957 5.947 12.514 1.00 0.00 C ATOM 236 O GLY A 17 3.485 7.027 12.158 1.00 0.00 O ATOM 0 H GLY A 17 2.676 3.427 12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.290 5.500 13.778 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.848 5.355 14.567 1.00 0.00 H new ATOM 240 N GLU A 18 5.037 5.409 11.956 1.00 0.00 N ATOM 241 CA GLU A 18 5.745 6.073 10.868 1.00 0.00 C ATOM 242 C GLU A 18 4.842 6.233 9.648 1.00 0.00 C ATOM 243 O GLU A 18 4.250 5.267 9.168 1.00 0.00 O ATOM 244 CB GLU A 18 6.999 5.282 10.488 1.00 0.00 C ATOM 245 CG GLU A 18 8.120 5.392 11.508 1.00 0.00 C ATOM 246 CD GLU A 18 9.494 5.271 10.879 1.00 0.00 C ATOM 247 OE1 GLU A 18 9.792 4.203 10.304 1.00 0.00 O ATOM 248 OE2 GLU A 18 10.272 6.245 10.961 1.00 0.00 O ATOM 0 H GLU A 18 5.440 4.516 12.239 1.00 0.00 H new ATOM 0 HA GLU A 18 6.040 7.064 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.733 4.232 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.362 5.634 9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.044 6.349 12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.999 4.613 12.261 1.00 0.00 H new ATOM 255 N LYS A 19 4.741 7.462 9.152 1.00 0.00 N ATOM 256 CA LYS A 19 3.912 7.751 7.988 1.00 0.00 C ATOM 257 C LYS A 19 4.741 8.381 6.873 1.00 0.00 C ATOM 258 O LYS A 19 5.663 9.153 7.132 1.00 0.00 O ATOM 259 CB LYS A 19 2.763 8.685 8.374 1.00 0.00 C ATOM 260 CG LYS A 19 1.920 8.168 9.526 1.00 0.00 C ATOM 261 CD LYS A 19 1.261 9.304 10.290 1.00 0.00 C ATOM 262 CE LYS A 19 2.237 9.970 11.248 1.00 0.00 C ATOM 263 NZ LYS A 19 3.002 11.064 10.589 1.00 0.00 N ATOM 0 H LYS A 19 5.223 8.274 9.538 1.00 0.00 H new ATOM 0 HA LYS A 19 3.500 6.810 7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.172 9.659 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.122 8.837 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.154 7.494 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.546 7.588 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.878 10.043 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.406 8.921 10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.691 10.372 12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.931 9.224 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.113 11.858 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.940 10.712 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.488 11.387 9.745 1.00 0.00 H new ATOM 277 N ARG A 20 4.404 8.047 5.631 1.00 0.00 N ATOM 278 CA ARG A 20 5.117 8.581 4.476 1.00 0.00 C ATOM 279 C ARG A 20 4.192 8.685 3.267 1.00 0.00 C ATOM 280 O ARG A 20 3.681 7.678 2.776 1.00 0.00 O ATOM 281 CB ARG A 20 6.318 7.696 4.138 1.00 0.00 C ATOM 282 CG ARG A 20 7.602 8.119 4.834 1.00 0.00 C ATOM 283 CD ARG A 20 8.099 9.460 4.317 1.00 0.00 C ATOM 284 NE ARG A 20 9.038 9.305 3.209 1.00 0.00 N ATOM 285 CZ ARG A 20 10.341 9.102 3.373 1.00 0.00 C ATOM 286 NH1 ARG A 20 10.855 9.030 4.593 1.00 0.00 N ATOM 287 NH2 ARG A 20 11.132 8.971 2.316 1.00 0.00 N ATOM 0 H ARG A 20 3.642 7.410 5.399 1.00 0.00 H new ATOM 0 HA ARG A 20 5.470 9.581 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.088 6.666 4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.477 7.711 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.431 8.183 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.369 7.360 4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.250 10.060 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.582 10.005 5.128 1.00 0.00 H new ATOM 0 HE ARG A 20 8.674 9.355 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.250 9.130 5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.855 8.874 4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.740 9.026 1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.132 8.815 2.443 1.00 0.00 H new ATOM 301 N ILE A 21 3.983 9.908 2.793 1.00 0.00 N ATOM 302 CA ILE A 21 3.121 10.144 1.642 1.00 0.00 C ATOM 303 C ILE A 21 3.885 9.956 0.335 1.00 0.00 C ATOM 304 O ILE A 21 5.041 10.362 0.216 1.00 0.00 O ATOM 305 CB ILE A 21 2.516 11.560 1.671 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.335 11.614 2.642 1.00 0.00 C ATOM 307 CG2 ILE A 21 2.080 11.979 0.275 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.103 10.898 2.136 1.00 0.00 C ATOM 0 H ILE A 21 4.399 10.751 3.188 1.00 0.00 H new ATOM 0 HA ILE A 21 2.315 9.413 1.697 1.00 0.00 H new ATOM 0 HB ILE A 21 3.279 12.258 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.636 11.174 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.084 12.656 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.655 12.982 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.942 11.975 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.330 11.281 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.694 10.978 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.224 11.353 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.337 9.847 1.966 1.00 0.00 H new ATOM 320 N LEU A 22 3.230 9.340 -0.643 1.00 0.00 N ATOM 321 CA LEU A 22 3.847 9.100 -1.943 1.00 0.00 C ATOM 322 C LEU A 22 2.949 9.596 -3.072 1.00 0.00 C ATOM 323 O LEU A 22 1.769 9.876 -2.861 1.00 0.00 O ATOM 324 CB LEU A 22 4.136 7.609 -2.125 1.00 0.00 C ATOM 325 CG LEU A 22 5.469 7.110 -1.566 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.387 6.944 -0.056 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.868 5.799 -2.227 1.00 0.00 C ATOM 0 H LEU A 22 2.273 8.998 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 22 4.785 9.653 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.333 7.043 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.103 7.381 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 22 6.234 7.854 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.345 6.588 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.149 7.903 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.609 6.221 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.819 5.459 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.102 5.048 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.970 5.950 -3.302 1.00 0.00 H new ATOM 339 N GLN A 23 3.516 9.702 -4.269 1.00 0.00 N ATOM 340 CA GLN A 23 2.766 10.164 -5.431 1.00 0.00 C ATOM 341 C GLN A 23 3.110 9.336 -6.665 1.00 0.00 C ATOM 342 O GLN A 23 4.240 9.369 -7.152 1.00 0.00 O ATOM 343 CB GLN A 23 3.056 11.642 -5.697 1.00 0.00 C ATOM 344 CG GLN A 23 2.453 12.576 -4.660 1.00 0.00 C ATOM 345 CD GLN A 23 2.500 14.030 -5.087 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.575 14.602 -5.266 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.330 14.636 -5.254 1.00 0.00 N ATOM 0 H GLN A 23 4.492 9.474 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 23 1.704 10.042 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.135 11.793 -5.726 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.671 11.908 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.418 12.289 -4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.988 12.461 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.463 14.123 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.299 15.614 -5.542 1.00 0.00 H new ATOM 356 N PHE A 24 2.128 8.593 -7.165 1.00 0.00 N ATOM 357 CA PHE A 24 2.327 7.755 -8.342 1.00 0.00 C ATOM 358 C PHE A 24 1.386 8.169 -9.470 1.00 0.00 C ATOM 359 O PHE A 24 0.164 8.061 -9.364 1.00 0.00 O ATOM 360 CB PHE A 24 2.102 6.283 -7.990 1.00 0.00 C ATOM 361 CG PHE A 24 3.025 5.775 -6.919 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.711 5.940 -5.580 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.207 5.133 -7.252 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.559 5.475 -4.593 1.00 0.00 C ATOM 365 CE2 PHE A 24 5.059 4.665 -6.269 1.00 0.00 C ATOM 366 CZ PHE A 24 4.734 4.835 -4.938 1.00 0.00 C ATOM 0 H PHE A 24 1.187 8.554 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 24 3.354 7.888 -8.682 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.071 6.149 -7.663 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.233 5.679 -8.888 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.793 6.438 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.466 4.997 -8.292 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.304 5.612 -3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.978 4.167 -6.542 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.397 4.469 -4.168 1.00 0.00 H new ATOM 376 N PRO A 25 1.967 8.655 -10.577 1.00 0.00 N ATOM 377 CA PRO A 25 1.201 9.095 -11.746 1.00 0.00 C ATOM 378 C PRO A 25 0.547 7.930 -12.482 1.00 0.00 C ATOM 379 O PRO A 25 1.224 7.142 -13.142 1.00 0.00 O ATOM 380 CB PRO A 25 2.256 9.763 -12.631 1.00 0.00 C ATOM 381 CG PRO A 25 3.541 9.120 -12.238 1.00 0.00 C ATOM 382 CD PRO A 25 3.419 8.811 -10.772 1.00 0.00 C ATOM 0 HA PRO A 25 0.378 9.754 -11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.042 9.607 -13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.286 10.840 -12.467 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.715 8.212 -12.815 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.384 9.785 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.960 7.903 -10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.823 9.615 -10.157 1.00 0.00 H new ATOM 390 N ARG A 26 -0.773 7.828 -12.365 1.00 0.00 N ATOM 391 CA ARG A 26 -1.518 6.759 -13.019 1.00 0.00 C ATOM 392 C ARG A 26 -1.065 6.588 -14.466 1.00 0.00 C ATOM 393 O ARG A 26 -0.691 7.546 -15.143 1.00 0.00 O ATOM 394 CB ARG A 26 -3.019 7.053 -12.974 1.00 0.00 C ATOM 395 CG ARG A 26 -3.676 6.666 -11.660 1.00 0.00 C ATOM 396 CD ARG A 26 -5.164 6.408 -11.836 1.00 0.00 C ATOM 397 NE ARG A 26 -5.443 5.010 -12.155 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.559 4.600 -12.748 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.494 5.477 -13.086 1.00 0.00 N ATOM 400 NH2 ARG A 26 -6.740 3.311 -13.005 1.00 0.00 N ATOM 0 H ARG A 26 -1.349 8.473 -11.823 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.321 5.831 -12.482 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.178 8.117 -13.150 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.510 6.518 -13.787 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.195 5.773 -11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.527 7.461 -10.930 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.690 6.683 -10.922 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.551 7.045 -12.631 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.743 4.310 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.357 6.469 -12.891 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.350 5.160 -13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.022 2.634 -12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.597 2.997 -13.460 1.00 0.00 H new ATOM 414 N PRO A 27 -1.099 5.339 -14.953 1.00 0.00 N ATOM 415 CA PRO A 27 -1.541 4.190 -14.157 1.00 0.00 C ATOM 416 C PRO A 27 -0.554 3.837 -13.050 1.00 0.00 C ATOM 417 O PRO A 27 0.658 3.825 -13.266 1.00 0.00 O ATOM 418 CB PRO A 27 -1.622 3.057 -15.183 1.00 0.00 C ATOM 419 CG PRO A 27 -0.666 3.449 -16.256 1.00 0.00 C ATOM 420 CD PRO A 27 -0.706 4.951 -16.318 1.00 0.00 C ATOM 0 HA PRO A 27 -2.483 4.388 -13.645 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.348 2.100 -14.739 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.634 2.949 -15.574 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.340 3.094 -16.031 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.952 3.011 -17.212 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.264 5.368 -16.591 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.424 5.304 -17.058 1.00 0.00 H new ATOM 428 N VAL A 28 -1.080 3.551 -11.863 1.00 0.00 N ATOM 429 CA VAL A 28 -0.244 3.196 -10.722 1.00 0.00 C ATOM 430 C VAL A 28 0.261 1.762 -10.836 1.00 0.00 C ATOM 431 O VAL A 28 -0.506 0.842 -11.123 1.00 0.00 O ATOM 432 CB VAL A 28 -1.009 3.355 -9.395 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.112 3.009 -8.216 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.556 4.769 -9.262 1.00 0.00 C ATOM 0 H VAL A 28 -2.081 3.558 -11.667 1.00 0.00 H new ATOM 0 HA VAL A 28 0.606 3.879 -10.727 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.851 2.662 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.670 3.127 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.227 1.977 -8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.751 3.675 -8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.094 4.864 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.731 5.482 -9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.235 4.976 -10.089 1.00 0.00 H new ATOM 444 N LYS A 29 1.557 1.577 -10.608 1.00 0.00 N ATOM 445 CA LYS A 29 2.166 0.254 -10.682 1.00 0.00 C ATOM 446 C LYS A 29 2.366 -0.332 -9.288 1.00 0.00 C ATOM 447 O LYS A 29 3.173 0.168 -8.503 1.00 0.00 O ATOM 448 CB LYS A 29 3.509 0.329 -11.413 1.00 0.00 C ATOM 449 CG LYS A 29 3.409 0.915 -12.811 1.00 0.00 C ATOM 450 CD LYS A 29 2.893 -0.108 -13.809 1.00 0.00 C ATOM 451 CE LYS A 29 2.136 0.558 -14.948 1.00 0.00 C ATOM 452 NZ LYS A 29 2.034 -0.331 -16.139 1.00 0.00 N ATOM 0 H LYS A 29 2.206 2.327 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 29 1.492 -0.398 -11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.200 0.932 -10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.934 -0.672 -11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.744 1.779 -12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.389 1.272 -13.128 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.729 -0.679 -14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.239 -0.816 -13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.136 0.829 -14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.640 1.483 -15.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.512 0.158 -16.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.988 -0.569 -16.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.531 -1.203 -15.879 1.00 0.00 H new ATOM 466 N LEU A 30 1.629 -1.395 -8.988 1.00 0.00 N ATOM 467 CA LEU A 30 1.726 -2.051 -7.688 1.00 0.00 C ATOM 468 C LEU A 30 3.181 -2.168 -7.245 1.00 0.00 C ATOM 469 O LEU A 30 3.507 -1.930 -6.083 1.00 0.00 O ATOM 470 CB LEU A 30 1.085 -3.439 -7.746 1.00 0.00 C ATOM 471 CG LEU A 30 1.107 -4.243 -6.446 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.284 -3.546 -5.373 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.591 -5.655 -6.683 1.00 0.00 C ATOM 0 H LEU A 30 0.958 -1.822 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 30 1.192 -1.441 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.048 -3.325 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.592 -4.019 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 30 2.138 -4.308 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.311 -4.133 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.698 -2.556 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.748 -3.449 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.614 -6.213 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.433 -5.611 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.222 -6.154 -7.418 1.00 0.00 H new ATOM 485 N GLU A 31 4.052 -2.535 -8.181 1.00 0.00 N ATOM 486 CA GLU A 31 5.472 -2.682 -7.886 1.00 0.00 C ATOM 487 C GLU A 31 6.075 -1.354 -7.437 1.00 0.00 C ATOM 488 O GLU A 31 6.869 -1.307 -6.497 1.00 0.00 O ATOM 489 CB GLU A 31 6.219 -3.204 -9.115 1.00 0.00 C ATOM 490 CG GLU A 31 6.578 -2.118 -10.116 1.00 0.00 C ATOM 491 CD GLU A 31 7.429 -2.636 -11.259 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.875 -3.302 -12.158 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.651 -2.375 -11.253 1.00 0.00 O ATOM 0 H GLU A 31 3.799 -2.736 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 31 5.576 -3.401 -7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.132 -3.703 -8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.605 -3.955 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.663 -1.683 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.113 -1.319 -9.603 1.00 0.00 H new ATOM 500 N ASP A 32 5.692 -0.278 -8.115 1.00 0.00 N ATOM 501 CA ASP A 32 6.193 1.052 -7.786 1.00 0.00 C ATOM 502 C ASP A 32 5.925 1.387 -6.322 1.00 0.00 C ATOM 503 O ASP A 32 6.832 1.781 -5.588 1.00 0.00 O ATOM 504 CB ASP A 32 5.546 2.102 -8.690 1.00 0.00 C ATOM 505 CG ASP A 32 6.105 2.078 -10.098 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.462 0.981 -10.577 1.00 0.00 O ATOM 507 OD2 ASP A 32 6.186 3.156 -10.723 1.00 0.00 O ATOM 0 H ASP A 32 5.036 -0.300 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 32 7.271 1.058 -7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.470 1.932 -8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.698 3.092 -8.259 1.00 0.00 H new ATOM 512 N LEU A 33 4.675 1.228 -5.904 1.00 0.00 N ATOM 513 CA LEU A 33 4.286 1.515 -4.527 1.00 0.00 C ATOM 514 C LEU A 33 5.230 0.834 -3.542 1.00 0.00 C ATOM 515 O LEU A 33 5.703 1.455 -2.589 1.00 0.00 O ATOM 516 CB LEU A 33 2.849 1.054 -4.276 1.00 0.00 C ATOM 517 CG LEU A 33 1.748 2.009 -4.737 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.473 1.242 -5.051 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.486 3.072 -3.680 1.00 0.00 C ATOM 0 H LEU A 33 3.913 0.902 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 33 4.347 2.593 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.704 0.096 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.726 0.879 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 33 2.083 2.506 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.299 1.938 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.669 0.520 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.134 0.718 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.699 3.743 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.173 2.593 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.398 3.643 -3.504 1.00 0.00 H new ATOM 531 N ARG A 34 5.503 -0.445 -3.779 1.00 0.00 N ATOM 532 CA ARG A 34 6.391 -1.210 -2.913 1.00 0.00 C ATOM 533 C ARG A 34 7.826 -0.703 -3.022 1.00 0.00 C ATOM 534 O ARG A 34 8.488 -0.459 -2.013 1.00 0.00 O ATOM 535 CB ARG A 34 6.335 -2.696 -3.273 1.00 0.00 C ATOM 536 CG ARG A 34 4.930 -3.275 -3.252 1.00 0.00 C ATOM 537 CD ARG A 34 4.933 -4.757 -3.594 1.00 0.00 C ATOM 538 NE ARG A 34 5.423 -5.573 -2.486 1.00 0.00 N ATOM 539 CZ ARG A 34 5.578 -6.890 -2.556 1.00 0.00 C ATOM 540 NH1 ARG A 34 5.284 -7.537 -3.675 1.00 0.00 N ATOM 541 NH2 ARG A 34 6.029 -7.563 -1.505 1.00 0.00 N ATOM 0 H ARG A 34 5.122 -0.973 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 34 6.055 -1.080 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.762 -2.837 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.959 -3.254 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.490 -3.129 -2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.303 -2.738 -3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.923 -5.071 -3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.557 -4.925 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 34 5.659 -5.106 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.938 -7.023 -4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.404 -8.549 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.257 -7.069 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.148 -8.575 -1.560 1.00 0.00 H new ATOM 555 N SER A 35 8.301 -0.548 -4.254 1.00 0.00 N ATOM 556 CA SER A 35 9.659 -0.074 -4.496 1.00 0.00 C ATOM 557 C SER A 35 9.953 1.176 -3.671 1.00 0.00 C ATOM 558 O SER A 35 10.935 1.229 -2.931 1.00 0.00 O ATOM 559 CB SER A 35 9.861 0.223 -5.983 1.00 0.00 C ATOM 560 OG SER A 35 11.211 0.023 -6.364 1.00 0.00 O ATOM 0 H SER A 35 7.766 -0.744 -5.100 1.00 0.00 H new ATOM 0 HA SER A 35 10.351 -0.860 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.213 -0.421 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.569 1.252 -6.195 1.00 0.00 H new ATOM 0 HG SER A 35 11.314 0.218 -7.319 1.00 0.00 H new ATOM 566 N LYS A 36 9.094 2.181 -3.805 1.00 0.00 N ATOM 567 CA LYS A 36 9.259 3.431 -3.073 1.00 0.00 C ATOM 568 C LYS A 36 9.360 3.174 -1.573 1.00 0.00 C ATOM 569 O LYS A 36 10.393 3.436 -0.957 1.00 0.00 O ATOM 570 CB LYS A 36 8.088 4.373 -3.362 1.00 0.00 C ATOM 571 CG LYS A 36 7.967 4.763 -4.825 1.00 0.00 C ATOM 572 CD LYS A 36 9.120 5.651 -5.262 1.00 0.00 C ATOM 573 CE LYS A 36 8.972 7.064 -4.718 1.00 0.00 C ATOM 574 NZ LYS A 36 10.242 7.834 -4.824 1.00 0.00 N ATOM 0 H LYS A 36 8.276 2.154 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 36 10.185 3.899 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.161 3.895 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.203 5.276 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.945 3.864 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.023 5.284 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.061 5.224 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.165 5.682 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.185 7.583 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.659 7.021 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.100 8.791 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.987 7.352 -4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.527 7.897 -5.822 1.00 0.00 H new ATOM 588 N ALA A 37 8.282 2.658 -0.991 1.00 0.00 N ATOM 589 CA ALA A 37 8.252 2.362 0.436 1.00 0.00 C ATOM 590 C ALA A 37 9.526 1.649 0.876 1.00 0.00 C ATOM 591 O ALA A 37 10.040 1.893 1.968 1.00 0.00 O ATOM 592 CB ALA A 37 7.030 1.521 0.774 1.00 0.00 C ATOM 0 H ALA A 37 7.418 2.436 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 37 8.191 3.306 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.020 1.307 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.126 2.068 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.067 0.585 0.217 1.00 0.00 H new ATOM 598 N LYS A 38 10.031 0.767 0.020 1.00 0.00 N ATOM 599 CA LYS A 38 11.245 0.019 0.320 1.00 0.00 C ATOM 600 C LYS A 38 12.460 0.941 0.350 1.00 0.00 C ATOM 601 O LYS A 38 13.371 0.756 1.157 1.00 0.00 O ATOM 602 CB LYS A 38 11.457 -1.086 -0.718 1.00 0.00 C ATOM 603 CG LYS A 38 12.610 -2.018 -0.388 1.00 0.00 C ATOM 604 CD LYS A 38 12.622 -3.235 -1.298 1.00 0.00 C ATOM 605 CE LYS A 38 14.035 -3.755 -1.515 1.00 0.00 C ATOM 606 NZ LYS A 38 14.838 -2.837 -2.369 1.00 0.00 N ATOM 0 H LYS A 38 9.618 0.553 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 38 11.129 -0.432 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.542 -1.671 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.637 -0.629 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.553 -1.480 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.533 -2.340 0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.006 -4.022 -0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.177 -2.977 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.528 -3.879 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.992 -4.740 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.655 -3.350 -2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.248 -2.483 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.173 -2.035 -1.797 1.00 0.00 H new ATOM 620 N ILE A 39 12.464 1.936 -0.531 1.00 0.00 N ATOM 621 CA ILE A 39 13.565 2.888 -0.602 1.00 0.00 C ATOM 622 C ILE A 39 13.481 3.911 0.526 1.00 0.00 C ATOM 623 O ILE A 39 14.497 4.305 1.097 1.00 0.00 O ATOM 624 CB ILE A 39 13.582 3.629 -1.952 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.712 2.632 -3.105 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.719 4.639 -1.988 1.00 0.00 C ATOM 627 CD1 ILE A 39 13.193 3.161 -4.423 1.00 0.00 C ATOM 0 H ILE A 39 11.717 2.103 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 39 14.486 2.314 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 39 12.641 4.166 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.761 2.357 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.170 1.721 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.718 5.154 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.586 5.365 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.669 4.122 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.317 2.401 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.136 3.409 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.751 4.055 -4.701 1.00 0.00 H new ATOM 639 N ALA A 40 12.262 4.335 0.842 1.00 0.00 N ATOM 640 CA ALA A 40 12.044 5.309 1.905 1.00 0.00 C ATOM 641 C ALA A 40 12.431 4.735 3.263 1.00 0.00 C ATOM 642 O ALA A 40 13.128 5.381 4.046 1.00 0.00 O ATOM 643 CB ALA A 40 10.592 5.763 1.915 1.00 0.00 C ATOM 0 H ALA A 40 11.410 4.020 0.377 1.00 0.00 H new ATOM 0 HA ALA A 40 12.681 6.172 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.444 6.490 2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.348 6.222 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.943 4.903 2.082 1.00 0.00 H new ATOM 649 N PHE A 41 11.972 3.519 3.538 1.00 0.00 N ATOM 650 CA PHE A 41 12.269 2.858 4.804 1.00 0.00 C ATOM 651 C PHE A 41 13.557 2.046 4.705 1.00 0.00 C ATOM 652 O PHE A 41 14.297 1.913 5.679 1.00 0.00 O ATOM 653 CB PHE A 41 11.109 1.948 5.213 1.00 0.00 C ATOM 654 CG PHE A 41 9.915 2.696 5.733 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.236 3.592 4.923 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.472 2.504 7.032 1.00 0.00 C ATOM 657 CE1 PHE A 41 8.136 4.282 5.398 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.372 3.191 7.512 1.00 0.00 C ATOM 659 CZ PHE A 41 7.705 4.082 6.694 1.00 0.00 C ATOM 0 H PHE A 41 11.393 2.971 2.902 1.00 0.00 H new ATOM 0 HA PHE A 41 12.403 3.628 5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.807 1.350 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.455 1.254 5.979 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.570 3.753 3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.991 1.810 7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.615 4.977 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.035 3.031 8.525 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.847 4.621 7.068 1.00 0.00 H new ATOM 669 N GLY A 42 13.817 1.503 3.519 1.00 0.00 N ATOM 670 CA GLY A 42 15.015 0.709 3.314 1.00 0.00 C ATOM 671 C GLY A 42 14.820 -0.745 3.697 1.00 0.00 C ATOM 672 O GLY A 42 15.789 -1.464 3.936 1.00 0.00 O ATOM 0 H GLY A 42 13.220 1.599 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.312 0.769 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.831 1.130 3.901 1.00 0.00 H new ATOM 676 N GLN A 43 13.564 -1.176 3.757 1.00 0.00 N ATOM 677 CA GLN A 43 13.247 -2.553 4.117 1.00 0.00 C ATOM 678 C GLN A 43 12.079 -3.076 3.287 1.00 0.00 C ATOM 679 O GLN A 43 11.409 -2.314 2.591 1.00 0.00 O ATOM 680 CB GLN A 43 12.914 -2.649 5.606 1.00 0.00 C ATOM 681 CG GLN A 43 14.018 -2.129 6.512 1.00 0.00 C ATOM 682 CD GLN A 43 15.085 -3.171 6.789 1.00 0.00 C ATOM 683 OE1 GLN A 43 16.240 -3.013 6.394 1.00 0.00 O ATOM 684 NE2 GLN A 43 14.702 -4.243 7.472 1.00 0.00 N ATOM 0 H GLN A 43 12.751 -0.593 3.561 1.00 0.00 H new ATOM 0 HA GLN A 43 14.122 -3.168 3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.000 -2.088 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.709 -3.690 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.479 -1.255 6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.583 -1.800 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.734 -4.332 7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.376 -4.977 7.689 1.00 0.00 H new ATOM 693 N SER A 44 11.841 -4.382 3.367 1.00 0.00 N ATOM 694 CA SER A 44 10.756 -5.008 2.621 1.00 0.00 C ATOM 695 C SER A 44 9.510 -5.150 3.489 1.00 0.00 C ATOM 696 O SER A 44 9.509 -5.887 4.475 1.00 0.00 O ATOM 697 CB SER A 44 11.191 -6.381 2.103 1.00 0.00 C ATOM 698 OG SER A 44 10.068 -7.178 1.769 1.00 0.00 O ATOM 0 H SER A 44 12.385 -5.026 3.941 1.00 0.00 H new ATOM 0 HA SER A 44 10.514 -4.367 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.827 -6.258 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.788 -6.887 2.862 1.00 0.00 H new ATOM 0 HG SER A 44 10.372 -8.049 1.439 1.00 0.00 H new ATOM 704 N MET A 45 8.451 -4.439 3.115 1.00 0.00 N ATOM 705 CA MET A 45 7.198 -4.487 3.859 1.00 0.00 C ATOM 706 C MET A 45 6.005 -4.559 2.911 1.00 0.00 C ATOM 707 O MET A 45 5.988 -3.903 1.869 1.00 0.00 O ATOM 708 CB MET A 45 7.071 -3.261 4.765 1.00 0.00 C ATOM 709 CG MET A 45 7.606 -1.984 4.138 1.00 0.00 C ATOM 710 SD MET A 45 9.372 -1.757 4.422 1.00 0.00 S ATOM 711 CE MET A 45 9.431 -1.769 6.213 1.00 0.00 C ATOM 0 H MET A 45 8.436 -3.823 2.302 1.00 0.00 H new ATOM 0 HA MET A 45 7.204 -5.386 4.475 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.022 -3.117 5.023 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.605 -3.450 5.696 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.414 -2.003 3.065 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.064 -1.130 4.544 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.870 -0.837 6.569 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.421 -1.869 6.610 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.038 -2.608 6.551 1.00 0.00 H new ATOM 721 N ASP A 46 5.010 -5.359 3.278 1.00 0.00 N ATOM 722 CA ASP A 46 3.813 -5.515 2.461 1.00 0.00 C ATOM 723 C ASP A 46 2.970 -4.244 2.482 1.00 0.00 C ATOM 724 O ASP A 46 3.153 -3.379 3.340 1.00 0.00 O ATOM 725 CB ASP A 46 2.983 -6.701 2.955 1.00 0.00 C ATOM 726 CG ASP A 46 3.401 -8.009 2.311 1.00 0.00 C ATOM 727 OD1 ASP A 46 3.718 -8.000 1.104 1.00 0.00 O ATOM 728 OD2 ASP A 46 3.411 -9.041 3.015 1.00 0.00 O ATOM 0 H ASP A 46 5.009 -5.910 4.137 1.00 0.00 H new ATOM 0 HA ASP A 46 4.127 -5.704 1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.082 -6.784 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.930 -6.516 2.745 1.00 0.00 H new ATOM 733 N LEU A 47 2.047 -4.137 1.533 1.00 0.00 N ATOM 734 CA LEU A 47 1.175 -2.970 1.443 1.00 0.00 C ATOM 735 C LEU A 47 -0.285 -3.365 1.637 1.00 0.00 C ATOM 736 O LEU A 47 -0.890 -3.995 0.768 1.00 0.00 O ATOM 737 CB LEU A 47 1.353 -2.280 0.089 1.00 0.00 C ATOM 738 CG LEU A 47 2.526 -1.305 -0.018 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.844 -2.027 0.216 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.526 -0.619 -1.376 1.00 0.00 C ATOM 0 H LEU A 47 1.883 -4.843 0.815 1.00 0.00 H new ATOM 0 HA LEU A 47 1.453 -2.277 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.474 -3.048 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.435 -1.740 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 47 2.411 -0.543 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.667 -1.317 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.844 -2.471 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.967 -2.811 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.367 0.071 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.616 -1.369 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.595 -0.068 -1.505 1.00 0.00 H new ATOM 752 N HIS A 48 -0.848 -2.990 2.781 1.00 0.00 N ATOM 753 CA HIS A 48 -2.239 -3.302 3.088 1.00 0.00 C ATOM 754 C HIS A 48 -3.080 -2.031 3.150 1.00 0.00 C ATOM 755 O HIS A 48 -2.937 -1.224 4.068 1.00 0.00 O ATOM 756 CB HIS A 48 -2.333 -4.055 4.416 1.00 0.00 C ATOM 757 CG HIS A 48 -1.792 -5.450 4.353 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.637 -5.779 3.675 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.253 -6.604 4.889 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.412 -7.076 3.796 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.378 -7.599 4.529 1.00 0.00 N ATOM 0 H HIS A 48 -0.362 -2.469 3.511 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.628 -3.935 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.790 -3.498 5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.376 -4.092 4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.144 -6.721 5.489 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.420 -7.616 3.368 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.461 -8.583 4.786 1.00 0.00 H new ATOM 770 N TYR A 49 -3.958 -1.860 2.167 1.00 0.00 N ATOM 771 CA TYR A 49 -4.820 -0.686 2.108 1.00 0.00 C ATOM 772 C TYR A 49 -6.226 -1.017 2.600 1.00 0.00 C ATOM 773 O TYR A 49 -6.792 -2.053 2.249 1.00 0.00 O ATOM 774 CB TYR A 49 -4.882 -0.144 0.679 1.00 0.00 C ATOM 775 CG TYR A 49 -6.106 -0.593 -0.087 1.00 0.00 C ATOM 776 CD1 TYR A 49 -6.168 -1.860 -0.654 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.199 0.249 -0.243 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.284 -2.275 -1.355 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.320 -0.158 -0.941 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.357 -1.420 -1.495 1.00 0.00 C ATOM 781 OH TYR A 49 -9.471 -1.829 -2.193 1.00 0.00 O ATOM 0 H TYR A 49 -4.091 -2.520 1.401 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.397 0.077 2.761 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.864 0.945 0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.990 -0.462 0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.330 -2.532 -0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.173 1.239 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.316 -3.263 -1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.162 0.509 -1.052 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.266 -1.385 -1.830 1.00 0.00 H new ATOM 791 N THR A 50 -6.785 -0.128 3.415 1.00 0.00 N ATOM 792 CA THR A 50 -8.124 -0.324 3.956 1.00 0.00 C ATOM 793 C THR A 50 -9.141 0.558 3.241 1.00 0.00 C ATOM 794 O THR A 50 -8.862 1.714 2.927 1.00 0.00 O ATOM 795 CB THR A 50 -8.170 -0.020 5.465 1.00 0.00 C ATOM 796 OG1 THR A 50 -8.119 1.394 5.682 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.011 -0.691 6.188 1.00 0.00 C ATOM 0 H THR A 50 -6.331 0.735 3.715 1.00 0.00 H new ATOM 0 HA THR A 50 -8.379 -1.372 3.795 1.00 0.00 H new ATOM 0 HB THR A 50 -9.104 -0.415 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.530 1.806 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.065 -0.462 7.252 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.069 -1.770 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.068 -0.322 5.785 1.00 0.00 H new ATOM 805 N ASN A 51 -10.322 0.004 2.986 1.00 0.00 N ATOM 806 CA ASN A 51 -11.381 0.742 2.307 1.00 0.00 C ATOM 807 C ASN A 51 -12.262 1.478 3.312 1.00 0.00 C ATOM 808 O ASN A 51 -12.318 2.707 3.320 1.00 0.00 O ATOM 809 CB ASN A 51 -12.234 -0.209 1.465 1.00 0.00 C ATOM 810 CG ASN A 51 -13.591 0.377 1.127 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.821 1.575 1.294 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.498 -0.467 0.649 1.00 0.00 N ATOM 0 H ASN A 51 -10.570 -0.953 3.239 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.915 1.478 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.704 -0.447 0.543 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.370 -1.146 2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.429 -0.130 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.264 -1.452 0.527 1.00 0.00 H new ATOM 819 N ASN A 52 -12.947 0.716 4.159 1.00 0.00 N ATOM 820 CA ASN A 52 -13.825 1.296 5.169 1.00 0.00 C ATOM 821 C ASN A 52 -13.607 0.632 6.525 1.00 0.00 C ATOM 822 O ASN A 52 -13.146 1.269 7.471 1.00 0.00 O ATOM 823 CB ASN A 52 -15.289 1.150 4.746 1.00 0.00 C ATOM 824 CG ASN A 52 -16.176 2.219 5.356 1.00 0.00 C ATOM 825 OD1 ASN A 52 -16.115 2.481 6.557 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.006 2.841 4.527 1.00 0.00 N ATOM 0 H ASN A 52 -12.911 -0.303 4.166 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.584 2.355 5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.357 1.201 3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.654 0.166 5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.627 3.569 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.022 2.591 3.538 1.00 0.00 H new ATOM 833 N GLU A 53 -13.942 -0.652 6.610 1.00 0.00 N ATOM 834 CA GLU A 53 -13.783 -1.401 7.851 1.00 0.00 C ATOM 835 C GLU A 53 -13.115 -2.748 7.590 1.00 0.00 C ATOM 836 O GLU A 53 -13.352 -3.721 8.308 1.00 0.00 O ATOM 837 CB GLU A 53 -15.141 -1.614 8.522 1.00 0.00 C ATOM 838 CG GLU A 53 -15.892 -0.323 8.799 1.00 0.00 C ATOM 839 CD GLU A 53 -16.789 -0.420 10.018 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.306 -0.139 11.135 1.00 0.00 O ATOM 841 OE2 GLU A 53 -17.975 -0.778 9.855 1.00 0.00 O ATOM 0 H GLU A 53 -14.325 -1.194 5.835 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.145 -0.821 8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.755 -2.252 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.993 -2.147 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.176 0.486 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.495 -0.064 7.929 1.00 0.00 H new ATOM 848 N LEU A 54 -12.278 -2.798 6.560 1.00 0.00 N ATOM 849 CA LEU A 54 -11.575 -4.025 6.203 1.00 0.00 C ATOM 850 C LEU A 54 -10.158 -3.722 5.726 1.00 0.00 C ATOM 851 O LEU A 54 -9.795 -2.563 5.523 1.00 0.00 O ATOM 852 CB LEU A 54 -12.342 -4.777 5.114 1.00 0.00 C ATOM 853 CG LEU A 54 -13.768 -5.199 5.467 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.450 -5.834 4.265 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.764 -6.159 6.648 1.00 0.00 C ATOM 0 H LEU A 54 -12.069 -2.002 5.957 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.513 -4.651 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.380 -4.148 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.775 -5.670 4.849 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.330 -4.309 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.464 -6.128 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.487 -5.116 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.889 -6.714 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.788 -6.449 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.185 -7.047 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.316 -5.670 7.513 1.00 0.00 H new ATOM 867 N VAL A 55 -9.362 -4.771 5.548 1.00 0.00 N ATOM 868 CA VAL A 55 -7.986 -4.618 5.092 1.00 0.00 C ATOM 869 C VAL A 55 -7.710 -5.491 3.873 1.00 0.00 C ATOM 870 O VAL A 55 -7.965 -6.696 3.889 1.00 0.00 O ATOM 871 CB VAL A 55 -6.983 -4.978 6.204 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.554 -4.788 5.717 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.246 -4.143 7.448 1.00 0.00 C ATOM 0 H VAL A 55 -9.647 -5.737 5.713 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.858 -3.570 4.821 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.116 -6.028 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.860 -5.047 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.374 -5.433 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.403 -3.748 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.528 -4.410 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.141 -3.086 7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.257 -4.334 7.808 1.00 0.00 H new ATOM 883 N ILE A 56 -7.188 -4.876 2.817 1.00 0.00 N ATOM 884 CA ILE A 56 -6.877 -5.598 1.590 1.00 0.00 C ATOM 885 C ILE A 56 -5.385 -5.535 1.278 1.00 0.00 C ATOM 886 O ILE A 56 -4.843 -4.486 0.930 1.00 0.00 O ATOM 887 CB ILE A 56 -7.664 -5.037 0.391 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.148 -4.909 0.743 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.479 -5.927 -0.828 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.490 -3.622 1.461 1.00 0.00 C ATOM 0 H ILE A 56 -6.972 -3.880 2.787 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.169 -6.636 1.752 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.278 -4.045 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.737 -4.973 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.439 -5.753 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.042 -5.517 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.421 -5.973 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.841 -6.930 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.558 -3.600 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.928 -3.565 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.231 -2.773 0.829 1.00 0.00 H new ATOM 902 N PRO A 57 -4.705 -6.684 1.404 1.00 0.00 N ATOM 903 CA PRO A 57 -3.267 -6.785 1.138 1.00 0.00 C ATOM 904 C PRO A 57 -2.940 -6.640 -0.344 1.00 0.00 C ATOM 905 O PRO A 57 -2.939 -7.621 -1.090 1.00 0.00 O ATOM 906 CB PRO A 57 -2.915 -8.192 1.628 1.00 0.00 C ATOM 907 CG PRO A 57 -4.189 -8.958 1.529 1.00 0.00 C ATOM 908 CD PRO A 57 -5.288 -7.972 1.815 1.00 0.00 C ATOM 0 HA PRO A 57 -2.704 -5.993 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.134 -8.641 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.543 -8.173 2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.305 -9.395 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.207 -9.780 2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.192 -8.202 1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.562 -7.971 2.870 1.00 0.00 H new ATOM 916 N LEU A 58 -2.662 -5.411 -0.766 1.00 0.00 N ATOM 917 CA LEU A 58 -2.333 -5.137 -2.161 1.00 0.00 C ATOM 918 C LEU A 58 -1.234 -6.073 -2.654 1.00 0.00 C ATOM 919 O LEU A 58 -0.045 -5.780 -2.516 1.00 0.00 O ATOM 920 CB LEU A 58 -1.891 -3.682 -2.324 1.00 0.00 C ATOM 921 CG LEU A 58 -3.012 -2.644 -2.391 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.550 -1.321 -1.801 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.479 -2.455 -3.827 1.00 0.00 C ATOM 0 H LEU A 58 -2.658 -4.589 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.227 -5.308 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.236 -3.427 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.296 -3.604 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.853 -3.008 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.361 -0.595 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.265 -1.467 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.692 -0.952 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.277 -1.713 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.644 -2.114 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.851 -3.403 -4.216 1.00 0.00 H new ATOM 935 N THR A 59 -1.638 -7.200 -3.233 1.00 0.00 N ATOM 936 CA THR A 59 -0.688 -8.178 -3.748 1.00 0.00 C ATOM 937 C THR A 59 -0.664 -8.170 -5.272 1.00 0.00 C ATOM 938 O THR A 59 0.401 -8.232 -5.887 1.00 0.00 O ATOM 939 CB THR A 59 -1.024 -9.599 -3.258 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.359 -9.947 -3.641 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.882 -9.698 -1.746 1.00 0.00 C ATOM 0 H THR A 59 -2.617 -7.458 -3.357 1.00 0.00 H new ATOM 0 HA THR A 59 0.294 -7.895 -3.370 1.00 0.00 H new ATOM 0 HB THR A 59 -0.322 -10.294 -3.719 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.564 -10.852 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.124 -10.711 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.143 -9.462 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.563 -8.993 -1.270 1.00 0.00 H new ATOM 949 N THR A 60 -1.845 -8.094 -5.878 1.00 0.00 N ATOM 950 CA THR A 60 -1.959 -8.079 -7.331 1.00 0.00 C ATOM 951 C THR A 60 -2.505 -6.745 -7.826 1.00 0.00 C ATOM 952 O THR A 60 -3.251 -6.069 -7.118 1.00 0.00 O ATOM 953 CB THR A 60 -2.873 -9.213 -7.834 1.00 0.00 C ATOM 954 OG1 THR A 60 -4.200 -9.034 -7.326 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.338 -10.570 -7.404 1.00 0.00 C ATOM 0 H THR A 60 -2.736 -8.042 -5.385 1.00 0.00 H new ATOM 0 HA THR A 60 -0.955 -8.227 -7.728 1.00 0.00 H new ATOM 0 HB THR A 60 -2.894 -9.177 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.207 -8.295 -6.683 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.000 -11.355 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.340 -10.715 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.291 -10.614 -6.316 1.00 0.00 H new ATOM 963 N GLN A 61 -2.128 -6.372 -9.044 1.00 0.00 N ATOM 964 CA GLN A 61 -2.580 -5.117 -9.633 1.00 0.00 C ATOM 965 C GLN A 61 -4.086 -4.947 -9.462 1.00 0.00 C ATOM 966 O GLN A 61 -4.557 -3.895 -9.030 1.00 0.00 O ATOM 967 CB GLN A 61 -2.214 -5.064 -11.117 1.00 0.00 C ATOM 968 CG GLN A 61 -0.861 -4.428 -11.388 1.00 0.00 C ATOM 969 CD GLN A 61 -0.962 -2.945 -11.687 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.587 -2.200 -10.782 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 -0.485 -2.474 -12.719 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.511 -6.921 -9.643 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.079 -4.300 -9.114 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.217 -6.077 -11.520 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.982 -4.506 -11.652 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.214 -4.577 -10.523 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.389 -4.933 -12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.013 -3.083 -13.387 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.562 -1.474 -12.906 1.00 0.00 H new ATOM 980 N ASP A 62 -4.836 -5.989 -9.804 1.00 0.00 N ATOM 981 CA ASP A 62 -6.290 -5.956 -9.687 1.00 0.00 C ATOM 982 C ASP A 62 -6.717 -5.208 -8.428 1.00 0.00 C ATOM 983 O ASP A 62 -7.617 -4.369 -8.467 1.00 0.00 O ATOM 984 CB ASP A 62 -6.854 -7.377 -9.668 1.00 0.00 C ATOM 985 CG ASP A 62 -8.357 -7.406 -9.866 1.00 0.00 C ATOM 986 OD1 ASP A 62 -8.831 -6.873 -10.891 1.00 0.00 O ATOM 987 OD2 ASP A 62 -9.058 -7.963 -8.996 1.00 0.00 O ATOM 0 H ASP A 62 -4.462 -6.867 -10.164 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.688 -5.428 -10.554 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.376 -7.965 -10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.606 -7.850 -8.718 1.00 0.00 H new ATOM 992 N ASP A 63 -6.067 -5.520 -7.312 1.00 0.00 N ATOM 993 CA ASP A 63 -6.379 -4.878 -6.041 1.00 0.00 C ATOM 994 C ASP A 63 -6.081 -3.383 -6.099 1.00 0.00 C ATOM 995 O ASP A 63 -6.913 -2.557 -5.721 1.00 0.00 O ATOM 996 CB ASP A 63 -5.581 -5.526 -4.908 1.00 0.00 C ATOM 997 CG ASP A 63 -5.804 -7.023 -4.827 1.00 0.00 C ATOM 998 OD1 ASP A 63 -5.635 -7.705 -5.859 1.00 0.00 O ATOM 999 OD2 ASP A 63 -6.149 -7.514 -3.731 1.00 0.00 O ATOM 0 H ASP A 63 -5.321 -6.214 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.443 -5.011 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.519 -5.327 -5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.863 -5.068 -3.960 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.888 -3.041 -6.573 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.478 -1.645 -6.680 1.00 0.00 C ATOM 1006 C LEU A 64 -5.404 -0.876 -7.617 1.00 0.00 C ATOM 1007 O LEU A 64 -5.999 0.130 -7.230 1.00 0.00 O ATOM 1008 CB LEU A 64 -3.036 -1.553 -7.181 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.595 -0.188 -7.712 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.683 0.864 -6.617 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.181 -0.264 -8.269 1.00 0.00 C ATOM 0 H LEU A 64 -4.187 -3.711 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.541 -1.197 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.370 -1.835 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.900 -2.290 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.267 0.101 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.365 1.829 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.712 0.937 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.035 0.581 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.884 0.716 -8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.496 -0.575 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.149 -0.987 -9.084 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.523 -1.357 -8.850 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.379 -0.717 -9.841 1.00 0.00 C ATOM 1025 C ASP A 65 -7.778 -0.483 -9.281 1.00 0.00 C ATOM 1026 O ASP A 65 -8.404 0.542 -9.551 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.459 -1.574 -11.106 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.664 -0.742 -12.357 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -6.124 0.382 -12.416 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -7.365 -1.215 -13.276 1.00 0.00 O ATOM 0 H ASP A 65 -5.037 -2.188 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.942 0.249 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.542 -2.155 -11.206 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.279 -2.286 -11.008 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.265 -1.442 -8.500 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.591 -1.341 -7.900 1.00 0.00 C ATOM 1037 C LYS A 66 -9.575 -0.399 -6.701 1.00 0.00 C ATOM 1038 O LYS A 66 -10.613 0.130 -6.303 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.084 -2.724 -7.469 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.856 -3.459 -8.552 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.822 -4.471 -7.958 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.486 -5.309 -9.040 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.444 -6.295 -8.468 1.00 0.00 N ATOM 0 H LYS A 66 -7.761 -2.298 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.272 -0.936 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.228 -3.329 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.720 -2.616 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.407 -2.741 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.158 -3.968 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.288 -5.124 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.585 -3.951 -7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.011 -4.654 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.722 -5.835 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.875 -6.846 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.939 -6.936 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.188 -5.792 -7.943 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.393 -0.192 -6.131 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.243 0.689 -4.980 1.00 0.00 C ATOM 1059 C ALA A 67 -8.091 2.142 -5.417 1.00 0.00 C ATOM 1060 O ALA A 67 -8.563 3.057 -4.742 1.00 0.00 O ATOM 1061 CB ALA A 67 -7.049 0.261 -4.140 1.00 0.00 C ATOM 0 H ALA A 67 -7.525 -0.623 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.146 0.612 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.949 0.928 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.198 -0.760 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.143 0.308 -4.744 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.430 2.348 -6.552 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.216 3.690 -7.080 1.00 0.00 C ATOM 1069 C VAL A 68 -8.498 4.255 -7.680 1.00 0.00 C ATOM 1070 O VAL A 68 -8.760 5.454 -7.592 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.111 3.702 -8.152 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.870 5.118 -8.654 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.829 3.096 -7.603 1.00 0.00 C ATOM 0 H VAL A 68 -7.033 1.602 -7.124 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.905 4.314 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.440 3.094 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.086 5.107 -9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.789 5.511 -9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.562 5.752 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.059 3.113 -8.374 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.493 3.674 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.015 2.066 -7.298 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.295 3.382 -8.290 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.550 3.795 -8.905 1.00 0.00 C ATOM 1085 C GLU A 69 -11.612 4.070 -7.844 1.00 0.00 C ATOM 1086 O GLU A 69 -12.393 5.015 -7.961 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.047 2.719 -9.873 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.573 1.473 -9.180 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.184 0.480 -10.150 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -12.752 0.920 -11.171 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.093 -0.737 -9.887 1.00 0.00 O ATOM 0 H GLU A 69 -9.093 2.385 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.368 4.716 -9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.837 3.139 -10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.232 2.437 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.759 0.992 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.321 1.761 -8.441 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.634 3.237 -6.809 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.600 3.389 -5.726 1.00 0.00 C ATOM 1100 C LEU A 70 -12.261 4.598 -4.859 1.00 0.00 C ATOM 1101 O LEU A 70 -13.135 5.178 -4.215 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.634 2.124 -4.866 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.672 2.094 -3.678 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.264 2.841 -2.493 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.343 0.658 -3.295 1.00 0.00 C ATOM 0 H LEU A 70 -10.995 2.450 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.583 3.547 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.648 1.992 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.417 1.268 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.748 2.592 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.565 2.809 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.449 3.878 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.203 2.372 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.657 0.655 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.260 0.135 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.876 0.154 -4.141 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.986 4.973 -4.849 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.531 6.114 -4.063 1.00 0.00 C ATOM 1119 C LEU A 71 -11.041 7.423 -4.658 1.00 0.00 C ATOM 1120 O LEU A 71 -11.613 8.255 -3.954 1.00 0.00 O ATOM 1121 CB LEU A 71 -9.003 6.134 -3.993 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.364 7.480 -3.651 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.717 7.892 -2.230 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.854 7.415 -3.830 1.00 0.00 C ATOM 0 H LEU A 71 -10.250 4.503 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.933 6.013 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.684 5.404 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.611 5.802 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.758 8.232 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.254 8.852 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.799 7.980 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.351 7.139 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.416 8.382 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.442 6.651 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.621 7.166 -4.865 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.831 7.597 -5.958 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.273 8.803 -6.649 1.00 0.00 C ATOM 1138 C ASP A 72 -12.762 9.044 -6.425 1.00 0.00 C ATOM 1139 O ASP A 72 -13.162 10.092 -5.918 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.981 8.694 -8.147 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.852 10.050 -8.811 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.829 10.826 -8.771 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.773 10.336 -9.372 1.00 0.00 O ATOM 0 H ASP A 72 -10.358 6.919 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.721 9.649 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.059 8.131 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.779 8.131 -8.630 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.579 8.067 -6.806 1.00 0.00 N ATOM 1149 CA ARG A 73 -15.024 8.173 -6.649 1.00 0.00 C ATOM 1150 C ARG A 73 -15.392 8.469 -5.198 1.00 0.00 C ATOM 1151 O ARG A 73 -16.420 9.087 -4.921 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.705 6.882 -7.106 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.448 5.699 -6.186 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.835 4.385 -6.847 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.226 4.385 -7.292 1.00 0.00 N ATOM 1156 CZ ARG A 73 -17.758 3.423 -8.038 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.019 2.390 -8.420 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.032 3.493 -8.403 1.00 0.00 N ATOM 0 H ARG A 73 -13.264 7.193 -7.226 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.372 8.998 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.780 7.052 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.358 6.634 -8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.394 5.673 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.015 5.824 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.182 4.202 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.679 3.566 -6.145 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.821 5.166 -7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.040 2.333 -8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.430 1.653 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.603 4.286 -8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.440 2.754 -8.976 1.00 0.00 H new ATOM 1172 N SER A 74 -14.546 8.022 -4.275 1.00 0.00 N ATOM 1173 CA SER A 74 -14.785 8.235 -2.852 1.00 0.00 C ATOM 1174 C SER A 74 -14.738 9.721 -2.509 1.00 0.00 C ATOM 1175 O SER A 74 -13.746 10.399 -2.779 1.00 0.00 O ATOM 1176 CB SER A 74 -13.750 7.475 -2.021 1.00 0.00 C ATOM 1177 OG SER A 74 -14.290 7.078 -0.772 1.00 0.00 O ATOM 0 H SER A 74 -13.689 7.510 -4.487 1.00 0.00 H new ATOM 0 HA SER A 74 -15.780 7.857 -2.615 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.412 6.596 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.876 8.105 -1.859 1.00 0.00 H new ATOM 0 HG SER A 74 -13.859 6.248 -0.478 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.816 10.218 -1.914 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.897 11.623 -1.533 1.00 0.00 C ATOM 1185 C ILE A 75 -15.317 11.850 -0.141 1.00 0.00 C ATOM 1186 O ILE A 75 -14.632 12.844 0.103 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.351 12.130 -1.559 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.944 11.973 -2.961 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.414 13.582 -1.111 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.456 11.996 -2.984 1.00 0.00 C ATOM 0 H ILE A 75 -16.645 9.670 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.312 12.182 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.941 11.531 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.567 12.773 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.596 11.033 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -18.448 13.926 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -17.027 13.667 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.812 14.196 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -19.806 11.880 -4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.842 11.179 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.812 12.946 -2.585 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.593 10.921 0.768 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.096 11.018 2.136 1.00 0.00 C ATOM 1204 C HIS A 76 -13.593 10.760 2.188 1.00 0.00 C ATOM 1205 O HIS A 76 -12.856 11.468 2.873 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.827 10.023 3.039 1.00 0.00 C ATOM 1207 CG HIS A 76 -15.986 8.665 2.427 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -16.833 8.219 1.470 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.219 7.580 2.794 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.564 6.887 1.277 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.586 6.525 2.087 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.158 10.092 0.582 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.286 12.030 2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.281 9.928 3.978 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.812 10.421 3.282 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.440 7.590 3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.070 6.240 0.576 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.183 5.591 2.155 1.00 0.00 H new ATOM 1220 N MET A 77 -13.147 9.742 1.459 1.00 0.00 N ATOM 1221 CA MET A 77 -11.731 9.392 1.422 1.00 0.00 C ATOM 1222 C MET A 77 -10.925 10.465 0.697 1.00 0.00 C ATOM 1223 O MET A 77 -11.369 11.016 -0.310 1.00 0.00 O ATOM 1224 CB MET A 77 -11.537 8.040 0.734 1.00 0.00 C ATOM 1225 CG MET A 77 -11.472 6.869 1.702 1.00 0.00 C ATOM 1226 SD MET A 77 -11.693 5.278 0.884 1.00 0.00 S ATOM 1227 CE MET A 77 -10.057 5.016 0.204 1.00 0.00 C ATOM 0 H MET A 77 -13.744 9.146 0.887 1.00 0.00 H new ATOM 0 HA MET A 77 -11.371 9.324 2.449 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.356 7.877 0.034 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.618 8.068 0.148 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.510 6.879 2.214 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.241 6.991 2.465 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.141 4.539 -0.772 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.550 5.975 0.097 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.483 4.375 0.873 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.737 10.758 1.216 1.00 0.00 N ATOM 1238 CA LYS A 78 -8.868 11.764 0.619 1.00 0.00 C ATOM 1239 C LYS A 78 -7.830 11.115 -0.292 1.00 0.00 C ATOM 1240 O LYS A 78 -7.578 11.591 -1.399 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.167 12.575 1.711 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.024 13.688 2.288 1.00 0.00 C ATOM 1243 CD LYS A 78 -8.181 14.728 3.005 1.00 0.00 C ATOM 1244 CE LYS A 78 -8.002 14.383 4.476 1.00 0.00 C ATOM 1245 NZ LYS A 78 -7.849 15.602 5.317 1.00 0.00 N ATOM 0 H LYS A 78 -9.354 10.312 2.050 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.486 12.432 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.869 11.903 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.254 13.006 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.589 14.166 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.750 13.266 2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.205 14.800 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.653 15.706 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.862 13.809 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.125 13.747 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.729 15.324 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.014 16.137 5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.697 16.197 5.223 1.00 0.00 H new ATOM 1259 N SER A 79 -7.234 10.026 0.180 1.00 0.00 N ATOM 1260 CA SER A 79 -6.222 9.313 -0.591 1.00 0.00 C ATOM 1261 C SER A 79 -6.226 7.826 -0.249 1.00 0.00 C ATOM 1262 O SER A 79 -7.005 7.372 0.590 1.00 0.00 O ATOM 1263 CB SER A 79 -4.837 9.905 -0.326 1.00 0.00 C ATOM 1264 OG SER A 79 -4.706 11.184 -0.921 1.00 0.00 O ATOM 0 H SER A 79 -7.434 9.617 1.093 1.00 0.00 H new ATOM 0 HA SER A 79 -6.461 9.426 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.671 9.982 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.071 9.237 -0.720 1.00 0.00 H new ATOM 0 HG SER A 79 -5.567 11.459 -1.299 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.351 7.072 -0.905 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.252 5.636 -0.673 1.00 0.00 C ATOM 1272 C LEU A 80 -4.368 5.339 0.535 1.00 0.00 C ATOM 1273 O LEU A 80 -3.148 5.497 0.479 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.693 4.935 -1.912 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.781 3.409 -1.918 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.228 2.958 -2.037 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.945 2.831 -3.050 1.00 0.00 C ATOM 0 H LEU A 80 -4.699 7.432 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.254 5.257 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.221 5.313 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.647 5.219 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.383 3.038 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.271 1.869 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.799 3.341 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.653 3.340 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.020 1.744 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.312 3.210 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.903 3.125 -2.920 1.00 0.00 H new ATOM 1289 N LYS A 81 -4.991 4.907 1.626 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.262 4.585 2.847 1.00 0.00 C ATOM 1291 C LYS A 81 -3.611 3.209 2.745 1.00 0.00 C ATOM 1292 O LYS A 81 -4.264 2.228 2.386 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.203 4.627 4.053 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.573 4.108 5.334 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.335 4.580 6.561 1.00 0.00 C ATOM 1296 CE LYS A 81 -6.510 3.666 6.873 1.00 0.00 C ATOM 1297 NZ LYS A 81 -7.752 4.103 6.179 1.00 0.00 N ATOM 0 H LYS A 81 -6.000 4.772 1.690 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.478 5.330 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.533 5.654 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.092 4.037 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.552 3.018 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.538 4.446 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.662 4.614 7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.696 5.596 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.266 2.647 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.682 3.650 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.266 3.269 5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.355 4.628 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.504 4.718 5.378 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.323 3.144 3.063 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.586 1.887 3.009 1.00 0.00 C ATOM 1313 C ILE A 82 -0.899 1.595 4.339 1.00 0.00 C ATOM 1314 O ILE A 82 -0.345 2.493 4.975 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.528 1.903 1.890 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.176 2.258 0.550 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.173 0.555 1.805 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.031 1.148 -0.020 1.00 0.00 C ATOM 0 H ILE A 82 -1.768 3.946 3.361 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.314 1.103 2.799 1.00 0.00 H new ATOM 0 HB ILE A 82 0.216 2.664 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.790 3.150 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.395 2.509 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.918 0.582 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.663 0.339 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.559 -0.223 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.458 1.469 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.417 0.261 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.834 0.912 0.678 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.938 0.334 4.754 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.317 -0.078 6.008 1.00 0.00 C ATOM 1332 C LEU A 83 0.864 -1.009 5.751 1.00 0.00 C ATOM 1333 O LEU A 83 0.688 -2.148 5.319 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.344 -0.774 6.904 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.424 0.124 7.508 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.839 0.998 8.607 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.071 0.981 6.430 1.00 0.00 C ATOM 0 H LEU A 83 -1.393 -0.421 4.241 1.00 0.00 H new ATOM 0 HA LEU A 83 0.051 0.815 6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.833 -1.556 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.812 -1.267 7.718 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.193 -0.512 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.622 1.630 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.425 0.366 9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.050 1.625 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.837 1.613 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.313 1.607 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.527 0.337 5.678 1.00 0.00 H new ATOM 1349 N LEU A 84 2.068 -0.517 6.023 1.00 0.00 N ATOM 1350 CA LEU A 84 3.279 -1.305 5.823 1.00 0.00 C ATOM 1351 C LEU A 84 3.427 -2.360 6.914 1.00 0.00 C ATOM 1352 O LEU A 84 3.328 -2.058 8.104 1.00 0.00 O ATOM 1353 CB LEU A 84 4.508 -0.394 5.809 1.00 0.00 C ATOM 1354 CG LEU A 84 4.552 0.656 4.698 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.670 1.655 4.951 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.727 -0.011 3.341 1.00 0.00 C ATOM 0 H LEU A 84 2.231 0.423 6.382 1.00 0.00 H new ATOM 0 HA LEU A 84 3.199 -1.811 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.566 0.119 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.398 -1.019 5.727 1.00 0.00 H new ATOM 0 HG LEU A 84 3.605 1.195 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.686 2.394 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.501 2.156 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.626 1.132 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.756 0.751 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.659 -0.576 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.891 -0.686 3.157 1.00 0.00 H new ATOM 1368 N VAL A 85 3.668 -3.601 6.502 1.00 0.00 N ATOM 1369 CA VAL A 85 3.833 -4.702 7.444 1.00 0.00 C ATOM 1370 C VAL A 85 5.025 -5.574 7.066 1.00 0.00 C ATOM 1371 O VAL A 85 5.046 -6.183 5.996 1.00 0.00 O ATOM 1372 CB VAL A 85 2.569 -5.579 7.510 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.733 -6.675 8.552 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.345 -4.727 7.808 1.00 0.00 C ATOM 0 H VAL A 85 3.753 -3.869 5.522 1.00 0.00 H new ATOM 0 HA VAL A 85 4.008 -4.257 8.424 1.00 0.00 H new ATOM 0 HB VAL A 85 2.426 -6.053 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.830 -7.284 8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.585 -7.302 8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.902 -6.225 9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.461 -5.363 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.477 -4.223 8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.219 -3.983 7.021 1.00 0.00 H new ATOM 1384 N ILE A 86 6.015 -5.629 7.950 1.00 0.00 N ATOM 1385 CA ILE A 86 7.210 -6.428 7.710 1.00 0.00 C ATOM 1386 C ILE A 86 6.848 -7.871 7.372 1.00 0.00 C ATOM 1387 O ILE A 86 6.024 -8.488 8.045 1.00 0.00 O ATOM 1388 CB ILE A 86 8.148 -6.419 8.931 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.496 -4.982 9.324 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.412 -7.213 8.634 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.364 -4.272 8.309 1.00 0.00 C ATOM 0 H ILE A 86 6.013 -5.130 8.839 1.00 0.00 H new ATOM 0 HA ILE A 86 7.726 -5.977 6.862 1.00 0.00 H new ATOM 0 HB ILE A 86 7.634 -6.891 9.769 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.574 -4.417 9.460 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.009 -4.991 10.286 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.065 -7.197 9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.147 -8.244 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.930 -6.768 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.571 -3.259 8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.302 -4.814 8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.845 -4.231 7.351 1.00 0.00 H new