USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 726 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 42 GLN : amide:sc= -2.54! K(o=-2.9!,f=-3.7) USER MOD Set 1.2: A 98 THR OG1 : rot -81:sc= -0.326 USER MOD Set 2.1: A 53 ASN : amide:sc= 0.775 K(o=1.9,f=-3.2) USER MOD Set 2.2: A 55 ASN : amide:sc= 1.15 K(o=1.9,f=-1.1) USER MOD Set 3.1: A 29 THR OG1 : rot -177:sc= 0.562 USER MOD Set 3.2: A 31 SER OG : rot -67:sc= 0.418 USER MOD Single : A 8 THR OG1 : rot 38:sc= 0.184 USER MOD Single : A 9 MET CE :methyl 156:sc= -0.77 (180deg=-2.39!) USER MOD Single : A 14 SER OG : rot -91:sc= -1.48 USER MOD Single : A 22 SER OG : rot 14:sc= 0.456 USER MOD Single : A 27 HIS : no HE2:sc= -10.3! C(o=-10!,f=-15!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 96:sc= -0.251 USER MOD Single : A 38 GLN : amide:sc= -1.87 K(o=-1.9,f=-11!) USER MOD Single : A 40 GLN : amide:sc= -5.85! C(o=-5.8!,f=-7.4!) USER MOD Single : A 46 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-7.1!) USER MOD Single : A 47 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.2!) USER MOD Single : A 48 GLN : amide:sc= -6.86! C(o=-6.9!,f=-18!) USER MOD Single : A 49 THR OG1 : rot 79:sc= 0.287 USER MOD Single : A 51 SER OG : rot 22:sc= -1.11 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0965 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.211 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 57:sc= 0.299 USER MOD Single : A 71 MET CE :methyl 171:sc= -1.2 (180deg=-1.49!) USER MOD Single : A 75 ASN : amide:sc= -6.07! C(o=-6.1!,f=-6.6!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0645 X(o=-0.065,f=-0.45) USER MOD Single : A 85 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-3.1!) USER MOD Single : A 87 SER OG : rot 48:sc= 0.158 USER MOD Single : A 88 MET CE :methyl 144:sc= -2.51! (180deg=-3.01!) USER MOD Single : A 90 TYR OH : rot -176:sc= -0.81 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -9.550 8.674 8.410 1.00 0.00 N ATOM 67 CA THR A 8 -9.290 7.358 8.970 1.00 0.00 C ATOM 68 C THR A 8 -7.869 6.905 8.629 1.00 0.00 C ATOM 69 O THR A 8 -7.324 7.285 7.593 1.00 0.00 O ATOM 70 CB THR A 8 -10.371 6.404 8.458 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.574 6.900 9.037 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.231 4.995 9.038 1.00 0.00 C ATOM 0 HA THR A 8 -9.340 7.375 10.059 1.00 0.00 H new ATOM 0 HB THR A 8 -10.326 6.355 7.370 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.557 7.880 9.039 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.022 4.358 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.261 4.582 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.310 5.039 10.124 1.00 0.00 H new ATOM 80 N MET A 9 -7.309 6.100 9.520 1.00 0.00 N ATOM 81 CA MET A 9 -5.961 5.592 9.327 1.00 0.00 C ATOM 82 C MET A 9 -5.927 4.068 9.455 1.00 0.00 C ATOM 83 O MET A 9 -6.495 3.507 10.391 1.00 0.00 O ATOM 84 CB MET A 9 -5.027 6.213 10.367 1.00 0.00 C ATOM 85 CG MET A 9 -3.629 5.596 10.286 1.00 0.00 C ATOM 86 SD MET A 9 -3.114 5.039 11.902 1.00 0.00 S ATOM 87 CE MET A 9 -3.961 3.469 11.973 1.00 0.00 C ATOM 0 H MET A 9 -7.764 5.787 10.377 1.00 0.00 H new ATOM 0 HA MET A 9 -5.631 5.861 8.324 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.963 7.289 10.207 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.437 6.063 11.366 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.632 4.759 9.587 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.920 6.330 9.902 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.448 2.810 12.673 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.987 3.624 12.306 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.966 3.013 10.983 1.00 0.00 H new ATOM 97 N LEU A 10 -5.255 3.440 8.501 1.00 0.00 N ATOM 98 CA LEU A 10 -5.139 1.992 8.496 1.00 0.00 C ATOM 99 C LEU A 10 -3.659 1.603 8.492 1.00 0.00 C ATOM 100 O LEU A 10 -2.810 2.382 8.064 1.00 0.00 O ATOM 101 CB LEU A 10 -5.935 1.395 7.333 1.00 0.00 C ATOM 102 CG LEU A 10 -7.458 1.468 7.456 1.00 0.00 C ATOM 103 CD1 LEU A 10 -8.136 0.656 6.350 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.918 1.034 8.849 1.00 0.00 C ATOM 0 H LEU A 10 -4.785 3.908 7.726 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.577 1.572 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.639 1.905 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.649 0.349 7.222 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.762 2.507 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.218 0.724 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.844 1.052 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.829 -0.387 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.005 1.095 8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.602 0.007 9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.476 1.690 9.599 1.00 0.00 H new ATOM 116 N ARG A 11 -3.396 0.397 8.975 1.00 0.00 N ATOM 117 CA ARG A 11 -2.034 -0.104 9.033 1.00 0.00 C ATOM 118 C ARG A 11 -1.795 -1.123 7.917 1.00 0.00 C ATOM 119 O ARG A 11 -2.485 -2.138 7.840 1.00 0.00 O ATOM 120 CB ARG A 11 -1.746 -0.763 10.384 1.00 0.00 C ATOM 121 CG ARG A 11 -0.941 0.172 11.289 1.00 0.00 C ATOM 122 CD ARG A 11 -0.710 -0.460 12.663 1.00 0.00 C ATOM 123 NE ARG A 11 -0.314 0.580 13.639 1.00 0.00 N ATOM 124 CZ ARG A 11 -0.331 0.410 14.968 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.726 -0.760 15.488 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.046 1.410 15.776 1.00 0.00 N ATOM 0 H ARG A 11 -4.103 -0.247 9.329 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.363 0.746 8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.685 -1.028 10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.194 -1.690 10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.018 0.398 10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.471 1.118 11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.618 -0.959 13.000 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.067 -1.222 12.596 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.009 1.483 13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.014 -1.521 14.872 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.739 -0.890 16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.346 2.301 15.379 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.033 1.281 16.788 1.00 0.00 H new ATOM 140 N VAL A 12 -0.816 -0.816 7.079 1.00 0.00 N ATOM 141 CA VAL A 12 -0.478 -1.691 5.970 1.00 0.00 C ATOM 142 C VAL A 12 0.856 -2.383 6.260 1.00 0.00 C ATOM 143 O VAL A 12 1.919 -1.823 5.997 1.00 0.00 O ATOM 144 CB VAL A 12 -0.468 -0.899 4.661 1.00 0.00 C ATOM 145 CG1 VAL A 12 0.065 -1.751 3.508 1.00 0.00 C ATOM 146 CG2 VAL A 12 -1.861 -0.352 4.341 1.00 0.00 C ATOM 0 H VAL A 12 -0.246 0.027 7.146 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.231 -2.471 5.856 1.00 0.00 H new ATOM 0 HB VAL A 12 0.204 -0.050 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.061 -1.164 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.083 -2.069 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.569 -2.628 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.826 0.207 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.563 -1.180 4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.187 0.307 5.146 1.00 0.00 H new ATOM 156 N ARG A 13 0.756 -3.589 6.798 1.00 0.00 N ATOM 157 CA ARG A 13 1.941 -4.363 7.126 1.00 0.00 C ATOM 158 C ARG A 13 2.450 -5.105 5.889 1.00 0.00 C ATOM 159 O ARG A 13 1.687 -5.798 5.218 1.00 0.00 O ATOM 160 CB ARG A 13 1.648 -5.376 8.235 1.00 0.00 C ATOM 161 CG ARG A 13 2.859 -6.275 8.490 1.00 0.00 C ATOM 162 CD ARG A 13 3.514 -5.944 9.833 1.00 0.00 C ATOM 163 NE ARG A 13 3.596 -7.162 10.670 1.00 0.00 N ATOM 164 CZ ARG A 13 4.376 -7.278 11.754 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.145 -6.250 12.139 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.386 -8.421 12.452 1.00 0.00 N ATOM 0 H ARG A 13 -0.128 -4.050 7.015 1.00 0.00 H new ATOM 0 HA ARG A 13 2.704 -3.668 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.382 -4.850 9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.789 -5.987 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.549 -7.320 8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.585 -6.150 7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.512 -5.537 9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.937 -5.176 10.349 1.00 0.00 H new ATOM 0 HE ARG A 13 3.023 -7.963 10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.137 -5.380 11.607 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.739 -6.338 12.964 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.800 -9.203 12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.979 -8.510 13.277 1.00 0.00 H new ATOM 180 N SER A 14 3.737 -4.934 5.624 1.00 0.00 N ATOM 181 CA SER A 14 4.358 -5.579 4.479 1.00 0.00 C ATOM 182 C SER A 14 5.301 -6.688 4.950 1.00 0.00 C ATOM 183 O SER A 14 5.487 -6.881 6.150 1.00 0.00 O ATOM 184 CB SER A 14 5.117 -4.565 3.620 1.00 0.00 C ATOM 185 OG SER A 14 6.259 -4.044 4.295 1.00 0.00 O ATOM 0 H SER A 14 4.367 -4.358 6.183 1.00 0.00 H new ATOM 0 HA SER A 14 3.571 -6.017 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.430 -5.040 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.450 -3.746 3.351 1.00 0.00 H new ATOM 0 HG SER A 14 6.008 -3.232 4.783 1.00 0.00 H new ATOM 191 N ARG A 15 5.870 -7.388 3.980 1.00 0.00 N ATOM 192 CA ARG A 15 6.790 -8.472 4.281 1.00 0.00 C ATOM 193 C ARG A 15 7.607 -8.144 5.532 1.00 0.00 C ATOM 194 O ARG A 15 7.568 -8.882 6.515 1.00 0.00 O ATOM 195 CB ARG A 15 7.741 -8.728 3.110 1.00 0.00 C ATOM 196 CG ARG A 15 6.983 -8.747 1.781 1.00 0.00 C ATOM 197 CD ARG A 15 7.791 -9.467 0.700 1.00 0.00 C ATOM 198 NE ARG A 15 8.010 -10.879 1.088 1.00 0.00 N ATOM 199 CZ ARG A 15 9.092 -11.317 1.746 1.00 0.00 C ATOM 200 NH1 ARG A 15 10.059 -10.458 2.093 1.00 0.00 N ATOM 201 NH2 ARG A 15 9.206 -12.616 2.056 1.00 0.00 N ATOM 0 H ARG A 15 5.712 -7.226 2.985 1.00 0.00 H new ATOM 0 HA ARG A 15 6.198 -9.370 4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.508 -7.954 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.253 -9.679 3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.022 -9.244 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.773 -7.726 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.262 -9.421 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.749 -8.968 0.557 1.00 0.00 H new ATOM 0 HE ARG A 15 7.293 -11.560 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.972 -9.470 1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.882 -10.792 2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.470 -13.270 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.029 -12.950 2.557 1.00 0.00 H new ATOM 215 N ASP A 16 8.329 -7.036 5.454 1.00 0.00 N ATOM 216 CA ASP A 16 9.155 -6.600 6.567 1.00 0.00 C ATOM 217 C ASP A 16 9.065 -5.079 6.699 1.00 0.00 C ATOM 218 O ASP A 16 10.055 -4.420 7.010 1.00 0.00 O ATOM 219 CB ASP A 16 10.622 -6.969 6.342 1.00 0.00 C ATOM 220 CG ASP A 16 11.392 -7.360 7.605 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.279 -6.604 8.594 1.00 0.00 O ATOM 222 OD2 ASP A 16 12.077 -8.404 7.552 1.00 0.00 O ATOM 0 H ASP A 16 8.359 -6.427 4.637 1.00 0.00 H new ATOM 0 HA ASP A 16 8.793 -7.094 7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.668 -7.798 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.126 -6.123 5.875 1.00 0.00 H new ATOM 227 N GLY A 17 7.868 -4.566 6.456 1.00 0.00 N ATOM 228 CA GLY A 17 7.635 -3.134 6.543 1.00 0.00 C ATOM 229 C GLY A 17 6.222 -2.838 7.048 1.00 0.00 C ATOM 230 O GLY A 17 5.245 -3.062 6.334 1.00 0.00 O ATOM 0 H GLY A 17 7.049 -5.116 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.367 -2.683 7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.778 -2.679 5.563 1.00 0.00 H new ATOM 234 N LEU A 18 6.157 -2.339 8.274 1.00 0.00 N ATOM 235 CA LEU A 18 4.879 -2.010 8.881 1.00 0.00 C ATOM 236 C LEU A 18 4.641 -0.503 8.773 1.00 0.00 C ATOM 237 O LEU A 18 5.139 0.269 9.592 1.00 0.00 O ATOM 238 CB LEU A 18 4.815 -2.541 10.315 1.00 0.00 C ATOM 239 CG LEU A 18 3.702 -1.967 11.194 1.00 0.00 C ATOM 240 CD1 LEU A 18 2.324 -2.283 10.609 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.837 -2.455 12.638 1.00 0.00 C ATOM 0 H LEU A 18 6.969 -2.155 8.863 1.00 0.00 H new ATOM 0 HA LEU A 18 4.066 -2.501 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.697 -3.624 10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.772 -2.342 10.798 1.00 0.00 H new ATOM 0 HG LEU A 18 3.804 -0.882 11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.551 -1.864 11.253 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.243 -1.847 9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.196 -3.363 10.544 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.034 -2.032 13.241 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.775 -3.543 12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.799 -2.138 13.041 1.00 0.00 H new ATOM 253 N GLU A 19 3.879 -0.128 7.756 1.00 0.00 N ATOM 254 CA GLU A 19 3.569 1.273 7.530 1.00 0.00 C ATOM 255 C GLU A 19 2.063 1.512 7.663 1.00 0.00 C ATOM 256 O GLU A 19 1.281 0.563 7.689 1.00 0.00 O ATOM 257 CB GLU A 19 4.078 1.734 6.163 1.00 0.00 C ATOM 258 CG GLU A 19 5.608 1.774 6.133 1.00 0.00 C ATOM 259 CD GLU A 19 6.135 1.508 4.722 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.793 0.434 4.181 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.869 2.384 4.216 1.00 0.00 O ATOM 0 H GLU A 19 3.467 -0.770 7.079 1.00 0.00 H new ATOM 0 HA GLU A 19 4.080 1.865 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.713 1.059 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.680 2.723 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.957 2.747 6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.009 1.030 6.821 1.00 0.00 H new ATOM 268 N ARG A 20 1.702 2.784 7.743 1.00 0.00 N ATOM 269 CA ARG A 20 0.305 3.159 7.872 1.00 0.00 C ATOM 270 C ARG A 20 -0.100 4.101 6.736 1.00 0.00 C ATOM 271 O ARG A 20 0.740 4.813 6.187 1.00 0.00 O ATOM 272 CB ARG A 20 0.040 3.846 9.214 1.00 0.00 C ATOM 273 CG ARG A 20 0.971 5.045 9.408 1.00 0.00 C ATOM 274 CD ARG A 20 0.404 6.016 10.446 1.00 0.00 C ATOM 275 NE ARG A 20 -0.192 7.189 9.769 1.00 0.00 N ATOM 276 CZ ARG A 20 0.510 8.247 9.342 1.00 0.00 C ATOM 277 NH1 ARG A 20 1.838 8.286 9.519 1.00 0.00 N ATOM 278 NH2 ARG A 20 -0.116 9.267 8.738 1.00 0.00 N ATOM 0 H ARG A 20 2.354 3.568 7.721 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.289 2.246 7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.998 4.176 9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.184 3.134 10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.954 4.699 9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.108 5.561 8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.350 5.514 11.052 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.194 6.339 11.123 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.201 7.192 9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.314 7.510 9.979 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.372 9.092 9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.127 9.237 8.604 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.418 10.073 8.413 1.00 0.00 H new ATOM 292 N VAL A 21 -1.385 4.074 6.418 1.00 0.00 N ATOM 293 CA VAL A 21 -1.911 4.917 5.357 1.00 0.00 C ATOM 294 C VAL A 21 -3.243 5.521 5.804 1.00 0.00 C ATOM 295 O VAL A 21 -4.012 4.879 6.519 1.00 0.00 O ATOM 296 CB VAL A 21 -2.024 4.115 4.059 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.482 5.005 2.902 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.702 3.420 3.727 1.00 0.00 C ATOM 0 H VAL A 21 -2.078 3.482 6.876 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.231 5.744 5.154 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.780 3.344 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.554 4.410 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.458 5.431 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.761 5.809 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.810 2.857 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.082 4.168 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.435 2.740 4.536 1.00 0.00 H new ATOM 308 N SER A 22 -3.477 6.749 5.366 1.00 0.00 N ATOM 309 CA SER A 22 -4.703 7.447 5.712 1.00 0.00 C ATOM 310 C SER A 22 -5.710 7.337 4.566 1.00 0.00 C ATOM 311 O SER A 22 -5.361 7.549 3.405 1.00 0.00 O ATOM 312 CB SER A 22 -4.428 8.917 6.037 1.00 0.00 C ATOM 313 OG SER A 22 -5.524 9.529 6.711 1.00 0.00 O ATOM 0 H SER A 22 -2.838 7.279 4.774 1.00 0.00 H new ATOM 0 HA SER A 22 -5.123 6.978 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.535 8.990 6.657 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.221 9.460 5.115 1.00 0.00 H new ATOM 0 HG SER A 22 -6.138 8.836 7.033 1.00 0.00 H new ATOM 319 N VAL A 23 -6.940 7.006 4.930 1.00 0.00 N ATOM 320 CA VAL A 23 -8.000 6.865 3.946 1.00 0.00 C ATOM 321 C VAL A 23 -9.148 7.812 4.300 1.00 0.00 C ATOM 322 O VAL A 23 -8.981 8.718 5.115 1.00 0.00 O ATOM 323 CB VAL A 23 -8.439 5.402 3.856 1.00 0.00 C ATOM 324 CG1 VAL A 23 -7.237 4.482 3.631 1.00 0.00 C ATOM 325 CG2 VAL A 23 -9.222 4.986 5.103 1.00 0.00 C ATOM 0 H VAL A 23 -7.226 6.831 5.893 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.641 7.145 2.956 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.102 5.304 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.576 3.448 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.739 4.755 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.538 4.587 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.522 3.942 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.593 5.108 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.109 5.611 5.201 1.00 0.00 H new ATOM 335 N ASP A 24 -10.288 7.571 3.670 1.00 0.00 N ATOM 336 CA ASP A 24 -11.463 8.392 3.908 1.00 0.00 C ATOM 337 C ASP A 24 -12.457 7.613 4.772 1.00 0.00 C ATOM 338 O ASP A 24 -13.119 8.188 5.634 1.00 0.00 O ATOM 339 CB ASP A 24 -12.159 8.752 2.594 1.00 0.00 C ATOM 340 CG ASP A 24 -11.393 9.733 1.705 1.00 0.00 C ATOM 341 OD1 ASP A 24 -11.054 10.820 2.220 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.165 9.374 0.529 1.00 0.00 O ATOM 0 H ASP A 24 -10.423 6.819 2.995 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.141 9.306 4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.335 7.836 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.136 9.178 2.822 1.00 0.00 H new ATOM 347 N GLY A 25 -12.530 6.316 4.510 1.00 0.00 N ATOM 348 CA GLY A 25 -13.433 5.452 5.252 1.00 0.00 C ATOM 349 C GLY A 25 -13.802 4.213 4.435 1.00 0.00 C ATOM 350 O GLY A 25 -13.071 3.825 3.525 1.00 0.00 O ATOM 0 H GLY A 25 -11.979 5.843 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.964 5.148 6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.337 6.003 5.512 1.00 0.00 H new ATOM 354 N PRO A 26 -14.966 3.611 4.798 1.00 0.00 N ATOM 355 CA PRO A 26 -15.441 2.423 4.109 1.00 0.00 C ATOM 356 C PRO A 26 -16.014 2.779 2.735 1.00 0.00 C ATOM 357 O PRO A 26 -16.032 1.945 1.831 1.00 0.00 O ATOM 358 CB PRO A 26 -16.474 1.813 5.043 1.00 0.00 C ATOM 359 CG PRO A 26 -16.875 2.922 6.002 1.00 0.00 C ATOM 360 CD PRO A 26 -15.857 4.043 5.871 1.00 0.00 C ATOM 0 HA PRO A 26 -14.643 1.711 3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.337 1.447 4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.059 0.962 5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.875 3.286 5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.903 2.550 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.340 4.990 5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.311 4.193 6.803 1.00 0.00 H new ATOM 368 N HIS A 27 -16.467 4.019 2.622 1.00 0.00 N ATOM 369 CA HIS A 27 -17.039 4.495 1.374 1.00 0.00 C ATOM 370 C HIS A 27 -16.038 4.284 0.237 1.00 0.00 C ATOM 371 O HIS A 27 -16.412 4.295 -0.935 1.00 0.00 O ATOM 372 CB HIS A 27 -17.489 5.952 1.504 1.00 0.00 C ATOM 373 CG HIS A 27 -16.506 6.836 2.234 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.745 8.176 2.483 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.282 6.557 2.766 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.704 8.672 3.135 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.798 7.667 3.310 1.00 0.00 N ATOM 0 H HIS A 27 -16.450 4.708 3.374 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.933 3.918 1.136 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.658 6.360 0.507 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.445 5.981 2.026 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.581 8.694 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.790 5.596 2.748 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.592 9.693 3.469 1.00 0.00 H new ATOM 385 N ILE A 28 -14.784 4.095 0.622 1.00 0.00 N ATOM 386 CA ILE A 28 -13.726 3.881 -0.350 1.00 0.00 C ATOM 387 C ILE A 28 -13.608 2.385 -0.647 1.00 0.00 C ATOM 388 O ILE A 28 -13.921 1.553 0.203 1.00 0.00 O ATOM 389 CB ILE A 28 -12.420 4.518 0.130 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.765 3.669 1.221 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.649 5.960 0.586 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.509 2.972 0.693 1.00 0.00 C ATOM 0 H ILE A 28 -14.477 4.086 1.595 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.967 4.375 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.727 4.552 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.505 4.300 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.474 2.924 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.705 6.390 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.039 6.547 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.366 5.973 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.063 2.375 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.776 2.323 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.792 3.721 0.355 1.00 0.00 H new ATOM 404 N THR A 29 -13.155 2.088 -1.857 1.00 0.00 N ATOM 405 CA THR A 29 -12.992 0.707 -2.277 1.00 0.00 C ATOM 406 C THR A 29 -11.508 0.340 -2.338 1.00 0.00 C ATOM 407 O THR A 29 -10.645 1.206 -2.201 1.00 0.00 O ATOM 408 CB THR A 29 -13.718 0.529 -3.612 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.103 1.486 -4.471 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.181 0.972 -3.547 1.00 0.00 C ATOM 0 H THR A 29 -12.896 2.781 -2.559 1.00 0.00 H new ATOM 0 HA THR A 29 -13.435 0.020 -1.556 1.00 0.00 H new ATOM 0 HB THR A 29 -13.669 -0.517 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.544 1.472 -5.346 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.649 0.825 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.707 0.381 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.230 2.027 -3.277 1.00 0.00 H new ATOM 418 N VAL A 30 -11.256 -0.944 -2.545 1.00 0.00 N ATOM 419 CA VAL A 30 -9.892 -1.436 -2.627 1.00 0.00 C ATOM 420 C VAL A 30 -9.118 -0.613 -3.659 1.00 0.00 C ATOM 421 O VAL A 30 -7.943 -0.308 -3.462 1.00 0.00 O ATOM 422 CB VAL A 30 -9.893 -2.934 -2.936 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.483 -3.426 -3.269 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.492 -3.733 -1.777 1.00 0.00 C ATOM 0 H VAL A 30 -11.974 -1.659 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.385 -1.316 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.520 -3.094 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.512 -4.494 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.107 -2.890 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.824 -3.245 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.481 -4.795 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.904 -3.563 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.519 -3.411 -1.606 1.00 0.00 H new ATOM 434 N SER A 31 -9.810 -0.277 -4.738 1.00 0.00 N ATOM 435 CA SER A 31 -9.203 0.505 -5.802 1.00 0.00 C ATOM 436 C SER A 31 -8.631 1.806 -5.235 1.00 0.00 C ATOM 437 O SER A 31 -7.504 2.182 -5.552 1.00 0.00 O ATOM 438 CB SER A 31 -10.215 0.808 -6.909 1.00 0.00 C ATOM 439 OG SER A 31 -11.091 1.873 -6.554 1.00 0.00 O ATOM 0 H SER A 31 -10.785 -0.532 -4.898 1.00 0.00 H new ATOM 0 HA SER A 31 -8.393 -0.081 -6.237 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.684 1.066 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.800 -0.087 -7.121 1.00 0.00 H new ATOM 0 HG SER A 31 -11.667 1.590 -5.813 1.00 0.00 H new ATOM 445 N GLN A 32 -9.434 2.456 -4.407 1.00 0.00 N ATOM 446 CA GLN A 32 -9.023 3.707 -3.793 1.00 0.00 C ATOM 447 C GLN A 32 -7.961 3.448 -2.722 1.00 0.00 C ATOM 448 O GLN A 32 -7.101 4.293 -2.478 1.00 0.00 O ATOM 449 CB GLN A 32 -10.224 4.452 -3.206 1.00 0.00 C ATOM 450 CG GLN A 32 -11.252 4.774 -4.292 1.00 0.00 C ATOM 451 CD GLN A 32 -11.742 6.219 -4.171 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.002 7.170 -4.361 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.027 6.329 -3.845 1.00 0.00 N ATOM 0 H GLN A 32 -10.368 2.140 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.587 4.341 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.689 3.845 -2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.888 5.375 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.809 4.618 -5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.098 4.091 -4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.590 5.491 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.449 7.251 -3.740 1.00 0.00 H new ATOM 462 N LEU A 33 -8.057 2.276 -2.111 1.00 0.00 N ATOM 463 CA LEU A 33 -7.115 1.896 -1.071 1.00 0.00 C ATOM 464 C LEU A 33 -5.736 1.674 -1.695 1.00 0.00 C ATOM 465 O LEU A 33 -4.780 2.371 -1.360 1.00 0.00 O ATOM 466 CB LEU A 33 -7.639 0.688 -0.290 1.00 0.00 C ATOM 467 CG LEU A 33 -7.243 0.622 1.186 1.00 0.00 C ATOM 468 CD1 LEU A 33 -8.023 -0.475 1.914 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.731 0.449 1.342 1.00 0.00 C ATOM 0 H LEU A 33 -8.772 1.578 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.009 2.698 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.727 0.683 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.286 -0.219 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.508 1.571 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.723 -0.501 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.091 -0.267 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.812 -1.439 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.477 0.405 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.418 -0.475 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.219 1.293 0.881 1.00 0.00 H new ATOM 481 N LYS A 34 -5.677 0.699 -2.591 1.00 0.00 N ATOM 482 CA LYS A 34 -4.430 0.377 -3.264 1.00 0.00 C ATOM 483 C LYS A 34 -3.795 1.663 -3.797 1.00 0.00 C ATOM 484 O LYS A 34 -2.622 1.931 -3.545 1.00 0.00 O ATOM 485 CB LYS A 34 -4.662 -0.686 -4.340 1.00 0.00 C ATOM 486 CG LYS A 34 -4.331 -2.083 -3.810 1.00 0.00 C ATOM 487 CD LYS A 34 -5.586 -2.957 -3.750 1.00 0.00 C ATOM 488 CE LYS A 34 -5.224 -4.417 -3.470 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.471 -5.252 -4.667 1.00 0.00 N ATOM 0 H LYS A 34 -6.472 0.122 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.721 -0.061 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.701 -0.655 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.044 -0.468 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.586 -2.553 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.890 -2.004 -2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.253 -2.588 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.128 -2.887 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.176 -4.489 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.813 -4.789 -2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.220 -6.240 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.477 -5.198 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.890 -4.906 -5.457 1.00 0.00 H new ATOM 503 N THR A 35 -4.600 2.425 -4.523 1.00 0.00 N ATOM 504 CA THR A 35 -4.132 3.677 -5.093 1.00 0.00 C ATOM 505 C THR A 35 -3.417 4.513 -4.030 1.00 0.00 C ATOM 506 O THR A 35 -2.340 5.053 -4.280 1.00 0.00 O ATOM 507 CB THR A 35 -5.332 4.389 -5.720 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.490 3.755 -6.986 1.00 0.00 O ATOM 509 CG2 THR A 35 -5.031 5.848 -6.069 1.00 0.00 C ATOM 0 H THR A 35 -5.573 2.200 -4.730 1.00 0.00 H new ATOM 0 HA THR A 35 -3.393 3.503 -5.876 1.00 0.00 H new ATOM 0 HB THR A 35 -6.177 4.347 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.166 3.048 -6.916 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.916 6.306 -6.511 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.755 6.389 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.207 5.889 -6.781 1.00 0.00 H new ATOM 517 N LEU A 36 -4.044 4.594 -2.865 1.00 0.00 N ATOM 518 CA LEU A 36 -3.481 5.355 -1.763 1.00 0.00 C ATOM 519 C LEU A 36 -2.087 4.815 -1.436 1.00 0.00 C ATOM 520 O LEU A 36 -1.084 5.479 -1.696 1.00 0.00 O ATOM 521 CB LEU A 36 -4.436 5.354 -0.568 1.00 0.00 C ATOM 522 CG LEU A 36 -5.460 6.491 -0.527 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.477 6.272 0.595 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.765 7.849 -0.414 1.00 0.00 C ATOM 0 H LEU A 36 -4.937 4.145 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.361 6.401 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.974 4.406 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.843 5.392 0.346 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.012 6.489 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.193 7.094 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.004 5.332 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.959 6.234 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.514 8.640 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.172 7.879 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.113 7.997 -1.275 1.00 0.00 H new ATOM 536 N ILE A 37 -2.068 3.617 -0.871 1.00 0.00 N ATOM 537 CA ILE A 37 -0.814 2.981 -0.506 1.00 0.00 C ATOM 538 C ILE A 37 0.127 2.988 -1.713 1.00 0.00 C ATOM 539 O ILE A 37 1.343 3.090 -1.556 1.00 0.00 O ATOM 540 CB ILE A 37 -1.067 1.586 0.067 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.670 1.671 1.472 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.208 0.742 0.041 1.00 0.00 C ATOM 543 CD1 ILE A 37 -2.849 0.708 1.622 1.00 0.00 C ATOM 0 H ILE A 37 -2.902 3.070 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.320 3.542 0.288 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.798 1.084 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.907 1.436 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.001 2.691 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.000 -0.245 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.555 0.639 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.979 1.229 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.259 0.788 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.621 0.961 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.509 -0.313 1.449 1.00 0.00 H new ATOM 555 N GLN A 38 -0.472 2.879 -2.890 1.00 0.00 N ATOM 556 CA GLN A 38 0.297 2.872 -4.123 1.00 0.00 C ATOM 557 C GLN A 38 1.057 4.190 -4.282 1.00 0.00 C ATOM 558 O GLN A 38 2.125 4.225 -4.892 1.00 0.00 O ATOM 559 CB GLN A 38 -0.605 2.609 -5.330 1.00 0.00 C ATOM 560 CG GLN A 38 -0.001 3.201 -6.605 1.00 0.00 C ATOM 561 CD GLN A 38 -0.618 4.565 -6.922 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.447 5.535 -6.202 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.342 4.585 -8.038 1.00 0.00 N ATOM 0 H GLN A 38 -1.481 2.795 -3.016 1.00 0.00 H new ATOM 0 HA GLN A 38 1.023 2.061 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.747 1.536 -5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.589 3.043 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.078 3.304 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.166 2.520 -7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.445 3.736 -8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.795 5.449 -8.337 1.00 0.00 H new ATOM 572 N ASP A 39 0.477 5.242 -3.724 1.00 0.00 N ATOM 573 CA ASP A 39 1.086 6.559 -3.797 1.00 0.00 C ATOM 574 C ASP A 39 1.968 6.777 -2.566 1.00 0.00 C ATOM 575 O ASP A 39 3.165 7.031 -2.693 1.00 0.00 O ATOM 576 CB ASP A 39 0.021 7.658 -3.816 1.00 0.00 C ATOM 577 CG ASP A 39 0.412 8.924 -4.580 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.204 9.708 -4.013 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.089 9.080 -5.714 1.00 0.00 O ATOM 0 H ASP A 39 -0.409 5.209 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 39 1.672 6.609 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.890 7.253 -4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.216 7.931 -2.788 1.00 0.00 H new ATOM 584 N GLN A 40 1.343 6.669 -1.403 1.00 0.00 N ATOM 585 CA GLN A 40 2.057 6.851 -0.150 1.00 0.00 C ATOM 586 C GLN A 40 3.281 5.935 -0.099 1.00 0.00 C ATOM 587 O GLN A 40 4.408 6.406 0.050 1.00 0.00 O ATOM 588 CB GLN A 40 1.136 6.603 1.046 1.00 0.00 C ATOM 589 CG GLN A 40 0.385 7.878 1.434 1.00 0.00 C ATOM 590 CD GLN A 40 -0.590 7.612 2.582 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.208 7.264 3.688 1.00 0.00 O ATOM 592 NE2 GLN A 40 -1.868 7.795 2.261 1.00 0.00 N ATOM 0 H GLN A 40 0.350 6.458 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 40 2.399 7.885 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.422 5.816 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.723 6.250 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.097 8.649 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.160 8.260 0.571 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.120 8.087 1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.596 7.643 2.959 1.00 0.00 H new ATOM 601 N LEU A 41 3.019 4.642 -0.226 1.00 0.00 N ATOM 602 CA LEU A 41 4.086 3.656 -0.196 1.00 0.00 C ATOM 603 C LEU A 41 4.818 3.661 -1.540 1.00 0.00 C ATOM 604 O LEU A 41 5.891 3.074 -1.668 1.00 0.00 O ATOM 605 CB LEU A 41 3.536 2.284 0.200 1.00 0.00 C ATOM 606 CG LEU A 41 2.696 2.241 1.478 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.627 0.820 2.041 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.217 3.242 2.510 1.00 0.00 C ATOM 0 H LEU A 41 2.084 4.255 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 41 4.820 3.912 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.929 1.907 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.375 1.598 0.317 1.00 0.00 H new ATOM 0 HG LEU A 41 1.677 2.538 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.024 0.817 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.174 0.158 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.633 0.471 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.602 3.191 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.249 3.000 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.171 4.249 2.096 1.00 0.00 H new ATOM 620 N GLN A 42 4.208 4.331 -2.506 1.00 0.00 N ATOM 621 CA GLN A 42 4.787 4.420 -3.836 1.00 0.00 C ATOM 622 C GLN A 42 4.963 3.023 -4.434 1.00 0.00 C ATOM 623 O GLN A 42 6.062 2.653 -4.843 1.00 0.00 O ATOM 624 CB GLN A 42 6.119 5.174 -3.804 1.00 0.00 C ATOM 625 CG GLN A 42 5.896 6.671 -3.576 1.00 0.00 C ATOM 626 CD GLN A 42 5.093 7.286 -4.723 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.086 6.799 -5.842 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.419 8.382 -4.385 1.00 0.00 N ATOM 0 H GLN A 42 3.318 4.818 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 42 4.103 4.982 -4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.750 4.772 -3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.651 5.021 -4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.368 6.825 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.858 7.176 -3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.468 8.737 -3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.853 8.867 -5.081 1.00 0.00 H new ATOM 637 N ILE A 43 3.863 2.285 -4.464 1.00 0.00 N ATOM 638 CA ILE A 43 3.881 0.936 -5.005 1.00 0.00 C ATOM 639 C ILE A 43 2.766 0.792 -6.042 1.00 0.00 C ATOM 640 O ILE A 43 1.676 1.335 -5.866 1.00 0.00 O ATOM 641 CB ILE A 43 3.809 -0.094 -3.877 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.906 0.152 -2.839 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.855 -1.519 -4.432 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.608 -0.597 -1.538 1.00 0.00 C ATOM 0 H ILE A 43 2.953 2.595 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 43 4.822 0.745 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 43 2.852 0.023 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.868 -0.172 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.988 1.220 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.802 -2.232 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.010 -1.676 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.785 -1.666 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.403 -0.405 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.658 -0.253 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.551 -1.667 -1.739 1.00 0.00 H new ATOM 656 N PRO A 44 3.084 0.039 -7.128 1.00 0.00 N ATOM 657 CA PRO A 44 2.122 -0.184 -8.194 1.00 0.00 C ATOM 658 C PRO A 44 1.053 -1.192 -7.765 1.00 0.00 C ATOM 659 O PRO A 44 1.373 -2.246 -7.218 1.00 0.00 O ATOM 660 CB PRO A 44 2.947 -0.661 -9.377 1.00 0.00 C ATOM 661 CG PRO A 44 4.272 -1.132 -8.798 1.00 0.00 C ATOM 662 CD PRO A 44 4.365 -0.619 -7.371 1.00 0.00 C ATOM 0 HA PRO A 44 1.565 0.717 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.442 -1.470 -9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.099 0.143 -10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.332 -2.220 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.104 -0.757 -9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.531 -1.435 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.196 0.077 -7.254 1.00 0.00 H new ATOM 670 N ILE A 45 -0.194 -0.832 -8.030 1.00 0.00 N ATOM 671 CA ILE A 45 -1.312 -1.691 -7.679 1.00 0.00 C ATOM 672 C ILE A 45 -1.030 -3.113 -8.169 1.00 0.00 C ATOM 673 O ILE A 45 -1.006 -4.053 -7.377 1.00 0.00 O ATOM 674 CB ILE A 45 -2.624 -1.107 -8.207 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.782 0.355 -7.784 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.817 -1.961 -7.775 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.231 0.820 -7.950 1.00 0.00 C ATOM 0 H ILE A 45 -0.455 0.043 -8.484 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.427 -1.743 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.593 -1.126 -9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.476 0.472 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.123 0.984 -8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.737 -1.524 -8.163 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.702 -2.972 -8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.864 -1.997 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.316 1.862 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.526 0.725 -8.995 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.884 0.205 -7.331 1.00 0.00 H new ATOM 689 N HIS A 46 -0.825 -3.225 -9.473 1.00 0.00 N ATOM 690 CA HIS A 46 -0.546 -4.516 -10.079 1.00 0.00 C ATOM 691 C HIS A 46 0.413 -5.305 -9.185 1.00 0.00 C ATOM 692 O HIS A 46 0.393 -6.535 -9.182 1.00 0.00 O ATOM 693 CB HIS A 46 -0.021 -4.344 -11.506 1.00 0.00 C ATOM 694 CG HIS A 46 0.619 -3.003 -11.768 1.00 0.00 C ATOM 695 ND1 HIS A 46 -0.113 -1.837 -11.907 1.00 0.00 N ATOM 696 CD2 HIS A 46 1.930 -2.654 -11.913 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.729 -0.838 -12.127 1.00 0.00 C ATOM 698 NE2 HIS A 46 1.995 -1.346 -12.131 1.00 0.00 N ATOM 0 H HIS A 46 -0.847 -2.443 -10.127 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.468 -5.091 -10.160 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.707 -5.129 -11.711 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.846 -4.484 -12.205 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.772 -3.328 -11.859 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.460 0.197 -12.277 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.850 -0.810 -12.277 1.00 0.00 H new ATOM 706 N ASN A 47 1.228 -4.566 -8.448 1.00 0.00 N ATOM 707 CA ASN A 47 2.193 -5.181 -7.553 1.00 0.00 C ATOM 708 C ASN A 47 1.585 -5.289 -6.153 1.00 0.00 C ATOM 709 O ASN A 47 1.677 -6.335 -5.511 1.00 0.00 O ATOM 710 CB ASN A 47 3.466 -4.339 -7.452 1.00 0.00 C ATOM 711 CG ASN A 47 4.388 -4.593 -8.646 1.00 0.00 C ATOM 712 OD1 ASN A 47 3.995 -5.150 -9.659 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.631 -4.156 -8.473 1.00 0.00 N ATOM 0 H ASN A 47 1.240 -3.546 -8.452 1.00 0.00 H new ATOM 0 HA ASN A 47 2.443 -6.165 -7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.204 -3.282 -7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.990 -4.576 -6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.322 -4.278 -9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.894 -3.698 -7.600 1.00 0.00 H new ATOM 720 N GLN A 48 0.978 -4.194 -5.719 1.00 0.00 N ATOM 721 CA GLN A 48 0.356 -4.152 -4.407 1.00 0.00 C ATOM 722 C GLN A 48 -0.626 -5.315 -4.249 1.00 0.00 C ATOM 723 O GLN A 48 -1.446 -5.564 -5.131 1.00 0.00 O ATOM 724 CB GLN A 48 -0.341 -2.810 -4.173 1.00 0.00 C ATOM 725 CG GLN A 48 0.663 -1.656 -4.220 1.00 0.00 C ATOM 726 CD GLN A 48 0.116 -0.425 -3.495 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.799 0.227 -2.722 1.00 0.00 O ATOM 728 NE2 GLN A 48 -1.151 -0.143 -3.787 1.00 0.00 N ATOM 0 H GLN A 48 0.904 -3.328 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 48 1.136 -4.255 -3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.110 -2.659 -4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.843 -2.821 -3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.601 -1.966 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.884 -1.404 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.666 -0.730 -4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.607 0.660 -3.355 1.00 0.00 H new ATOM 737 N THR A 49 -0.511 -5.995 -3.117 1.00 0.00 N ATOM 738 CA THR A 49 -1.378 -7.125 -2.832 1.00 0.00 C ATOM 739 C THR A 49 -1.896 -7.050 -1.394 1.00 0.00 C ATOM 740 O THR A 49 -1.186 -7.406 -0.455 1.00 0.00 O ATOM 741 CB THR A 49 -0.599 -8.407 -3.131 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.410 -8.378 -4.543 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.432 -9.668 -2.892 1.00 0.00 C ATOM 0 H THR A 49 0.170 -5.785 -2.387 1.00 0.00 H new ATOM 0 HA THR A 49 -2.265 -7.112 -3.465 1.00 0.00 H new ATOM 0 HB THR A 49 0.296 -8.440 -2.510 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.325 -7.768 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.832 -10.549 -3.119 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.748 -9.703 -1.849 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.311 -9.651 -3.537 1.00 0.00 H new ATOM 751 N LEU A 50 -3.130 -6.584 -1.267 1.00 0.00 N ATOM 752 CA LEU A 50 -3.751 -6.458 0.040 1.00 0.00 C ATOM 753 C LEU A 50 -4.402 -7.789 0.422 1.00 0.00 C ATOM 754 O LEU A 50 -4.947 -8.485 -0.433 1.00 0.00 O ATOM 755 CB LEU A 50 -4.718 -5.273 0.062 1.00 0.00 C ATOM 756 CG LEU A 50 -4.081 -3.885 -0.034 1.00 0.00 C ATOM 757 CD1 LEU A 50 -5.075 -2.796 0.373 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.789 -3.817 0.784 1.00 0.00 C ATOM 0 H LEU A 50 -3.716 -6.289 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.999 -6.241 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.420 -5.387 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.299 -5.321 0.983 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.813 -3.703 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.597 -1.820 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.941 -2.829 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.396 -2.962 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.356 -2.820 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.009 -4.029 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.080 -4.554 0.406 1.00 0.00 H new ATOM 770 N SER A 51 -4.322 -8.103 1.707 1.00 0.00 N ATOM 771 CA SER A 51 -4.897 -9.339 2.212 1.00 0.00 C ATOM 772 C SER A 51 -5.059 -9.258 3.731 1.00 0.00 C ATOM 773 O SER A 51 -4.231 -8.659 4.416 1.00 0.00 O ATOM 774 CB SER A 51 -4.032 -10.543 1.834 1.00 0.00 C ATOM 775 OG SER A 51 -4.696 -11.778 2.090 1.00 0.00 O ATOM 0 H SER A 51 -3.868 -7.524 2.413 1.00 0.00 H new ATOM 0 HA SER A 51 -5.878 -9.472 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.770 -10.484 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.099 -10.510 2.396 1.00 0.00 H new ATOM 0 HG SER A 51 -5.664 -11.628 2.124 1.00 0.00 H new ATOM 781 N THR A 52 -6.130 -9.869 4.213 1.00 0.00 N ATOM 782 CA THR A 52 -6.411 -9.874 5.639 1.00 0.00 C ATOM 783 C THR A 52 -5.777 -11.098 6.304 1.00 0.00 C ATOM 784 O THR A 52 -6.211 -11.523 7.373 1.00 0.00 O ATOM 785 CB THR A 52 -7.928 -9.801 5.822 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.440 -10.693 4.836 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.501 -8.439 5.426 1.00 0.00 C ATOM 0 H THR A 52 -6.814 -10.365 3.642 1.00 0.00 H new ATOM 0 HA THR A 52 -5.967 -9.009 6.132 1.00 0.00 H new ATOM 0 HB THR A 52 -8.178 -10.011 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.419 -10.708 4.885 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.581 -8.441 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.051 -7.662 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.280 -8.242 4.377 1.00 0.00 H new ATOM 795 N ASN A 53 -4.760 -11.630 5.642 1.00 0.00 N ATOM 796 CA ASN A 53 -4.061 -12.796 6.155 1.00 0.00 C ATOM 797 C ASN A 53 -2.561 -12.502 6.215 1.00 0.00 C ATOM 798 O ASN A 53 -1.913 -12.350 5.180 1.00 0.00 O ATOM 799 CB ASN A 53 -4.270 -14.008 5.245 1.00 0.00 C ATOM 800 CG ASN A 53 -4.261 -15.308 6.051 1.00 0.00 C ATOM 801 OD1 ASN A 53 -3.807 -15.364 7.182 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.786 -16.347 5.408 1.00 0.00 N ATOM 0 H ASN A 53 -4.403 -11.275 4.755 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.457 -13.017 7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.218 -13.911 4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.485 -14.039 4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.826 -17.260 5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.149 -16.231 4.462 1.00 0.00 H new ATOM 809 N ARG A 54 -2.052 -12.430 7.436 1.00 0.00 N ATOM 810 CA ARG A 54 -0.641 -12.157 7.644 1.00 0.00 C ATOM 811 C ARG A 54 0.214 -13.146 6.849 1.00 0.00 C ATOM 812 O ARG A 54 1.390 -12.890 6.592 1.00 0.00 O ATOM 813 CB ARG A 54 -0.273 -12.252 9.126 1.00 0.00 C ATOM 814 CG ARG A 54 -0.361 -13.698 9.621 1.00 0.00 C ATOM 815 CD ARG A 54 -1.561 -13.887 10.551 1.00 0.00 C ATOM 816 NE ARG A 54 -1.458 -15.186 11.252 1.00 0.00 N ATOM 817 CZ ARG A 54 -2.423 -15.700 12.028 1.00 0.00 C ATOM 818 NH1 ARG A 54 -3.568 -15.028 12.205 1.00 0.00 N ATOM 819 NH2 ARG A 54 -2.242 -16.885 12.625 1.00 0.00 N ATOM 0 H ARG A 54 -2.592 -12.556 8.292 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.446 -11.142 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.737 -11.872 9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.942 -11.622 9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.446 -14.373 8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.556 -13.963 10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.601 -13.075 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.487 -13.847 9.977 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.599 -15.724 11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.705 -14.126 11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.303 -15.419 12.795 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.370 -17.396 12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.976 -17.276 13.215 1.00 0.00 H new ATOM 833 N ASN A 55 -0.409 -14.256 6.481 1.00 0.00 N ATOM 834 CA ASN A 55 0.280 -15.285 5.721 1.00 0.00 C ATOM 835 C ASN A 55 0.745 -14.700 4.386 1.00 0.00 C ATOM 836 O ASN A 55 1.602 -15.276 3.717 1.00 0.00 O ATOM 837 CB ASN A 55 -0.649 -16.463 5.423 1.00 0.00 C ATOM 838 CG ASN A 55 -0.786 -17.376 6.643 1.00 0.00 C ATOM 839 OD1 ASN A 55 -0.124 -18.394 6.766 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.678 -16.956 7.535 1.00 0.00 N ATOM 0 H ASN A 55 -1.384 -14.465 6.695 1.00 0.00 H new ATOM 0 HA ASN A 55 1.126 -15.634 6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.631 -16.091 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.260 -17.033 4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.842 -17.496 8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.198 -16.094 7.369 1.00 0.00 H new ATOM 847 N LEU A 56 0.161 -13.563 4.038 1.00 0.00 N ATOM 848 CA LEU A 56 0.505 -12.894 2.795 1.00 0.00 C ATOM 849 C LEU A 56 1.998 -12.559 2.798 1.00 0.00 C ATOM 850 O LEU A 56 2.694 -12.801 1.813 1.00 0.00 O ATOM 851 CB LEU A 56 -0.397 -11.679 2.572 1.00 0.00 C ATOM 852 CG LEU A 56 -0.296 -11.011 1.199 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.887 -11.907 0.109 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.944 -9.625 1.215 1.00 0.00 C ATOM 0 H LEU A 56 -0.549 -13.088 4.596 1.00 0.00 H new ATOM 0 HA LEU A 56 0.327 -13.554 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.431 -11.985 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.165 -10.935 3.334 1.00 0.00 H new ATOM 0 HG LEU A 56 0.759 -10.871 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.803 -11.409 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.343 -12.851 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.937 -12.101 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.859 -9.172 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.997 -9.719 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.439 -8.996 1.948 1.00 0.00 H new ATOM 866 N LEU A 57 2.446 -12.007 3.916 1.00 0.00 N ATOM 867 CA LEU A 57 3.843 -11.636 4.060 1.00 0.00 C ATOM 868 C LEU A 57 4.723 -12.846 3.742 1.00 0.00 C ATOM 869 O LEU A 57 5.891 -12.693 3.386 1.00 0.00 O ATOM 870 CB LEU A 57 4.099 -11.038 5.445 1.00 0.00 C ATOM 871 CG LEU A 57 3.747 -9.558 5.612 1.00 0.00 C ATOM 872 CD1 LEU A 57 2.244 -9.330 5.441 1.00 0.00 C ATOM 873 CD2 LEU A 57 4.260 -9.020 6.949 1.00 0.00 C ATOM 0 H LEU A 57 1.866 -11.808 4.731 1.00 0.00 H new ATOM 0 HA LEU A 57 4.104 -10.854 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.530 -11.611 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.154 -11.170 5.687 1.00 0.00 H new ATOM 0 HG LEU A 57 4.250 -8.996 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.020 -8.270 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.938 -9.652 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.701 -9.905 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.997 -7.966 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.806 -9.581 7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.344 -9.128 6.993 1.00 0.00 H new ATOM 885 N LEU A 58 4.130 -14.023 3.881 1.00 0.00 N ATOM 886 CA LEU A 58 4.845 -15.259 3.612 1.00 0.00 C ATOM 887 C LEU A 58 5.033 -15.416 2.102 1.00 0.00 C ATOM 888 O LEU A 58 6.139 -15.684 1.636 1.00 0.00 O ATOM 889 CB LEU A 58 4.134 -16.443 4.270 1.00 0.00 C ATOM 890 CG LEU A 58 3.658 -16.226 5.708 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.856 -17.428 6.207 1.00 0.00 C ATOM 892 CD2 LEU A 58 4.834 -15.898 6.630 1.00 0.00 C ATOM 0 H LEU A 58 3.162 -14.147 4.177 1.00 0.00 H new ATOM 0 HA LEU A 58 5.840 -15.228 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.271 -16.708 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.809 -17.299 4.257 1.00 0.00 H new ATOM 0 HG LEU A 58 2.989 -15.366 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.530 -17.248 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.984 -17.574 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.481 -18.320 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.469 -15.748 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.547 -16.723 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.325 -14.989 6.283 1.00 0.00 H new ATOM 904 N ALA A 59 3.936 -15.242 1.380 1.00 0.00 N ATOM 905 CA ALA A 59 3.967 -15.361 -0.068 1.00 0.00 C ATOM 906 C ALA A 59 5.235 -14.694 -0.604 1.00 0.00 C ATOM 907 O ALA A 59 5.463 -13.508 -0.370 1.00 0.00 O ATOM 908 CB ALA A 59 2.693 -14.751 -0.658 1.00 0.00 C ATOM 0 H ALA A 59 3.020 -15.020 1.770 1.00 0.00 H new ATOM 0 HA ALA A 59 3.995 -16.409 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.716 -14.840 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.823 -15.279 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.632 -13.698 -0.382 1.00 0.00 H new ATOM 914 N LYS A 60 6.027 -15.485 -1.313 1.00 0.00 N ATOM 915 CA LYS A 60 7.266 -14.986 -1.884 1.00 0.00 C ATOM 916 C LYS A 60 7.127 -14.908 -3.405 1.00 0.00 C ATOM 917 O LYS A 60 7.753 -14.065 -4.047 1.00 0.00 O ATOM 918 CB LYS A 60 8.451 -15.834 -1.417 1.00 0.00 C ATOM 919 CG LYS A 60 8.934 -15.389 -0.035 1.00 0.00 C ATOM 920 CD LYS A 60 10.357 -15.882 0.234 1.00 0.00 C ATOM 921 CE LYS A 60 10.802 -15.524 1.653 1.00 0.00 C ATOM 922 NZ LYS A 60 11.469 -16.679 2.294 1.00 0.00 N ATOM 0 H LYS A 60 5.834 -16.468 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 60 7.468 -13.975 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.160 -16.884 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.267 -15.752 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.903 -14.301 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.261 -15.775 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.404 -16.962 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.042 -15.439 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.483 -14.674 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.939 -15.220 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.765 -16.419 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.808 -17.480 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.304 -16.951 1.737 1.00 0.00 H new ATOM 936 N SER A 61 6.303 -15.797 -3.938 1.00 0.00 N ATOM 937 CA SER A 61 6.073 -15.840 -5.372 1.00 0.00 C ATOM 938 C SER A 61 4.797 -15.072 -5.721 1.00 0.00 C ATOM 939 O SER A 61 4.064 -14.643 -4.832 1.00 0.00 O ATOM 940 CB SER A 61 5.978 -17.283 -5.872 1.00 0.00 C ATOM 941 OG SER A 61 7.015 -17.596 -6.799 1.00 0.00 O ATOM 0 H SER A 61 5.786 -16.494 -3.402 1.00 0.00 H new ATOM 0 HA SER A 61 6.921 -15.367 -5.868 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.032 -17.965 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.009 -17.440 -6.346 1.00 0.00 H new ATOM 0 HG SER A 61 6.921 -18.526 -7.093 1.00 0.00 H new ATOM 947 N PRO A 62 4.563 -14.919 -7.052 1.00 0.00 N ATOM 948 CA PRO A 62 3.388 -14.211 -7.529 1.00 0.00 C ATOM 949 C PRO A 62 2.130 -15.067 -7.372 1.00 0.00 C ATOM 950 O PRO A 62 1.091 -14.576 -6.935 1.00 0.00 O ATOM 951 CB PRO A 62 3.696 -13.868 -8.978 1.00 0.00 C ATOM 952 CG PRO A 62 4.827 -14.795 -9.394 1.00 0.00 C ATOM 953 CD PRO A 62 5.409 -15.415 -8.134 1.00 0.00 C ATOM 0 HA PRO A 62 3.180 -13.308 -6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.819 -14.014 -9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.990 -12.823 -9.078 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.458 -15.570 -10.065 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.594 -14.242 -9.937 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.391 -16.504 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.448 -15.120 -7.991 1.00 0.00 H new ATOM 961 N SER A 63 2.266 -16.334 -7.738 1.00 0.00 N ATOM 962 CA SER A 63 1.153 -17.263 -7.643 1.00 0.00 C ATOM 963 C SER A 63 0.712 -17.405 -6.185 1.00 0.00 C ATOM 964 O SER A 63 -0.471 -17.596 -5.906 1.00 0.00 O ATOM 965 CB SER A 63 1.527 -18.631 -8.219 1.00 0.00 C ATOM 966 OG SER A 63 2.703 -19.161 -7.615 1.00 0.00 O ATOM 0 H SER A 63 3.130 -16.738 -8.100 1.00 0.00 H new ATOM 0 HA SER A 63 0.325 -16.865 -8.229 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.699 -19.325 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.680 -18.542 -9.294 1.00 0.00 H new ATOM 0 HG SER A 63 2.907 -20.035 -8.008 1.00 0.00 H new ATOM 972 N ASP A 64 1.687 -17.305 -5.293 1.00 0.00 N ATOM 973 CA ASP A 64 1.414 -17.419 -3.870 1.00 0.00 C ATOM 974 C ASP A 64 0.438 -16.317 -3.452 1.00 0.00 C ATOM 975 O ASP A 64 -0.521 -16.575 -2.727 1.00 0.00 O ATOM 976 CB ASP A 64 2.694 -17.253 -3.049 1.00 0.00 C ATOM 977 CG ASP A 64 3.046 -18.442 -2.153 1.00 0.00 C ATOM 978 OD1 ASP A 64 3.496 -19.464 -2.716 1.00 0.00 O ATOM 979 OD2 ASP A 64 2.857 -18.303 -0.925 1.00 0.00 O ATOM 0 H ASP A 64 2.667 -17.146 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 64 0.993 -18.407 -3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.525 -17.073 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.595 -16.364 -2.426 1.00 0.00 H new ATOM 984 N PHE A 65 0.716 -15.113 -3.928 1.00 0.00 N ATOM 985 CA PHE A 65 -0.125 -13.970 -3.613 1.00 0.00 C ATOM 986 C PHE A 65 -1.524 -14.140 -4.208 1.00 0.00 C ATOM 987 O PHE A 65 -2.483 -13.533 -3.732 1.00 0.00 O ATOM 988 CB PHE A 65 0.537 -12.741 -4.239 1.00 0.00 C ATOM 989 CG PHE A 65 1.809 -12.286 -3.521 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.848 -12.254 -2.161 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.900 -11.912 -4.241 1.00 0.00 C ATOM 992 CE1 PHE A 65 3.028 -11.832 -1.495 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.080 -11.489 -3.574 1.00 0.00 C ATOM 994 CZ PHE A 65 4.119 -11.458 -2.215 1.00 0.00 C ATOM 0 H PHE A 65 1.512 -14.903 -4.530 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.228 -13.870 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.778 -12.961 -5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.179 -11.919 -4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.981 -12.550 -1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.869 -11.937 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.059 -11.808 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.947 -11.192 -4.146 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.017 -11.136 -1.708 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.598 -14.968 -5.240 1.00 0.00 N ATOM 1005 CA LEU A 66 -2.864 -15.225 -5.904 1.00 0.00 C ATOM 1006 C LEU A 66 -3.754 -16.068 -4.989 1.00 0.00 C ATOM 1007 O LEU A 66 -4.964 -16.148 -5.194 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.630 -15.851 -7.280 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.852 -14.996 -8.283 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.467 -15.812 -9.518 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.636 -13.734 -8.651 1.00 0.00 C ATOM 0 H LEU A 66 -0.801 -15.470 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.392 -14.290 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.096 -16.791 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.599 -16.095 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.925 -14.673 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.915 -15.180 -10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.842 -16.653 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.369 -16.185 -10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.061 -13.144 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.590 -14.015 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.816 -13.143 -7.753 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.120 -16.677 -3.997 1.00 0.00 N ATOM 1024 CA ALA A 67 -3.839 -17.511 -3.049 1.00 0.00 C ATOM 1025 C ALA A 67 -4.721 -16.627 -2.165 1.00 0.00 C ATOM 1026 O ALA A 67 -5.729 -17.087 -1.631 1.00 0.00 O ATOM 1027 CB ALA A 67 -2.840 -18.338 -2.237 1.00 0.00 C ATOM 0 H ALA A 67 -2.116 -16.609 -3.830 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.492 -18.210 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.379 -18.964 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.259 -18.970 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.169 -17.670 -1.697 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.308 -15.375 -2.037 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.048 -14.422 -1.226 1.00 0.00 C ATOM 1035 C PHE A 68 -5.868 -13.476 -2.104 1.00 0.00 C ATOM 1036 O PHE A 68 -5.335 -12.512 -2.651 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.018 -13.607 -0.442 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.086 -14.454 0.428 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -1.931 -14.947 -0.093 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -3.413 -14.713 1.722 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -1.066 -15.732 0.714 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -2.548 -15.498 2.530 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.393 -15.991 2.008 1.00 0.00 C ATOM 0 H PHE A 68 -3.471 -14.998 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.736 -14.950 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.417 -13.028 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.542 -12.893 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.671 -14.741 -1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.331 -14.322 2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.148 -16.123 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.807 -15.703 3.558 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.735 -16.589 2.622 1.00 0.00 H new ATOM 1053 N THR A 69 -7.153 -13.784 -2.212 1.00 0.00 N ATOM 1054 CA THR A 69 -8.052 -12.972 -3.015 1.00 0.00 C ATOM 1055 C THR A 69 -9.261 -12.536 -2.185 1.00 0.00 C ATOM 1056 O THR A 69 -10.390 -12.932 -2.470 1.00 0.00 O ATOM 1057 CB THR A 69 -8.428 -13.776 -4.261 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.001 -14.973 -3.743 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.203 -14.255 -5.041 1.00 0.00 C ATOM 0 H THR A 69 -7.592 -14.584 -1.757 1.00 0.00 H new ATOM 0 HA THR A 69 -7.570 -12.049 -3.339 1.00 0.00 H new ATOM 0 HB THR A 69 -9.055 -13.165 -4.911 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.756 -14.749 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.526 -14.820 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.617 -13.394 -5.362 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.592 -14.893 -4.403 1.00 0.00 H new ATOM 1067 N ASP A 70 -8.983 -11.727 -1.173 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.034 -11.233 -0.299 1.00 0.00 C ATOM 1069 C ASP A 70 -10.238 -9.738 -0.550 1.00 0.00 C ATOM 1070 O ASP A 70 -11.334 -9.216 -0.352 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.660 -11.420 1.172 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.637 -12.525 1.445 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.690 -13.539 0.716 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -7.826 -12.330 2.375 1.00 0.00 O ATOM 0 H ASP A 70 -8.045 -11.401 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.943 -11.795 -0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.265 -10.478 1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.567 -11.638 1.737 1.00 0.00 H new ATOM 1079 N MET A 71 -9.166 -9.090 -0.981 1.00 0.00 N ATOM 1080 CA MET A 71 -9.213 -7.665 -1.260 1.00 0.00 C ATOM 1081 C MET A 71 -8.562 -7.348 -2.607 1.00 0.00 C ATOM 1082 O MET A 71 -7.976 -6.281 -2.782 1.00 0.00 O ATOM 1083 CB MET A 71 -8.487 -6.903 -0.150 1.00 0.00 C ATOM 1084 CG MET A 71 -9.255 -6.994 1.171 1.00 0.00 C ATOM 1085 SD MET A 71 -8.294 -6.266 2.487 1.00 0.00 S ATOM 1086 CE MET A 71 -7.981 -4.654 1.787 1.00 0.00 C ATOM 0 H MET A 71 -8.259 -9.526 -1.144 1.00 0.00 H new ATOM 0 HA MET A 71 -10.258 -7.357 -1.301 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.484 -7.310 -0.020 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.372 -5.858 -0.437 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.212 -6.480 1.081 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.474 -8.036 1.403 1.00 0.00 H new ATOM 0 HE1 MET A 71 -7.528 -4.011 2.542 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.303 -4.751 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.920 -4.214 1.452 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.687 -8.295 -3.526 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.118 -8.130 -4.853 1.00 0.00 C ATOM 1098 C ALA A 72 -9.082 -7.318 -5.719 1.00 0.00 C ATOM 1099 O ALA A 72 -8.653 -6.549 -6.578 1.00 0.00 O ATOM 1100 CB ALA A 72 -7.812 -9.504 -5.452 1.00 0.00 C ATOM 0 H ALA A 72 -9.174 -9.179 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.178 -7.580 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.385 -9.380 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.100 -10.028 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.732 -10.084 -5.521 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.367 -7.517 -5.464 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.396 -6.813 -6.210 1.00 0.00 C ATOM 1108 C ASP A 73 -11.282 -5.312 -5.935 1.00 0.00 C ATOM 1109 O ASP A 73 -11.342 -4.882 -4.785 1.00 0.00 O ATOM 1110 CB ASP A 73 -12.793 -7.267 -5.785 1.00 0.00 C ATOM 1111 CG ASP A 73 -13.947 -6.481 -6.410 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -13.645 -5.563 -7.204 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.106 -6.815 -6.081 1.00 0.00 O ATOM 0 H ASP A 73 -10.719 -8.156 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.253 -7.030 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.910 -8.320 -6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.868 -7.193 -4.700 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.116 -4.536 -7.040 1.00 0.00 N ATOM 1119 CA PRO A 74 -10.994 -3.092 -6.929 1.00 0.00 C ATOM 1120 C PRO A 74 -12.351 -2.448 -6.638 1.00 0.00 C ATOM 1121 O PRO A 74 -12.422 -1.418 -5.970 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.396 -2.645 -8.253 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.636 -3.788 -9.226 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.041 -5.011 -8.418 1.00 0.00 C ATOM 0 HA PRO A 74 -10.360 -2.786 -6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.868 -1.727 -8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.331 -2.437 -8.150 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.418 -3.525 -9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.735 -3.993 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.000 -5.407 -8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.311 -5.813 -8.521 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.394 -3.082 -7.154 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.744 -2.583 -6.957 1.00 0.00 C ATOM 1134 C ASN A 75 -15.282 -3.093 -5.619 1.00 0.00 C ATOM 1135 O ASN A 75 -16.456 -2.903 -5.305 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.680 -3.078 -8.062 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.934 -4.581 -7.933 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.547 -5.055 -6.991 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.430 -5.302 -8.931 1.00 0.00 N ATOM 0 H ASN A 75 -13.331 -3.936 -7.708 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.707 -1.494 -6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.626 -2.540 -8.010 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -15.244 -2.862 -9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.547 -6.315 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.927 -4.841 -9.690 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.398 -3.730 -4.866 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.769 -4.269 -3.569 1.00 0.00 C ATOM 1148 C LEU A 76 -14.464 -3.232 -2.485 1.00 0.00 C ATOM 1149 O LEU A 76 -13.436 -2.560 -2.536 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.090 -5.620 -3.335 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.165 -6.171 -1.910 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -15.048 -7.418 -1.850 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.765 -6.432 -1.349 1.00 0.00 C ATOM 0 H LEU A 76 -13.425 -3.885 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.840 -4.466 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.537 -6.350 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.040 -5.529 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.631 -5.416 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.084 -7.789 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.056 -7.166 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.634 -8.188 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.847 -6.823 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.251 -7.159 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.199 -5.500 -1.334 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.377 -3.136 -1.530 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.219 -2.193 -0.436 1.00 0.00 C ATOM 1167 C ARG A 77 -14.564 -2.878 0.765 1.00 0.00 C ATOM 1168 O ARG A 77 -14.709 -4.086 0.951 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.569 -1.613 -0.009 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.238 -0.872 -1.168 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.747 -1.124 -1.182 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.419 -0.131 -2.050 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.717 -0.175 -2.377 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.492 -1.164 -1.912 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.241 0.770 -3.170 1.00 0.00 N ATOM 0 H ARG A 77 -16.229 -3.696 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.582 -1.381 -0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.220 -2.415 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.427 -0.931 0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.045 0.197 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.802 -1.198 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.952 -2.132 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.144 -1.061 -0.169 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.858 0.635 -2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.093 -1.884 -1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.481 -1.197 -2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.651 1.523 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.230 0.736 -3.419 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.857 -2.078 1.550 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.179 -2.593 2.727 1.00 0.00 C ATOM 1191 C ILE A 78 -14.219 -2.980 3.780 1.00 0.00 C ATOM 1192 O ILE A 78 -13.947 -3.803 4.653 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.141 -1.588 3.230 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -12.817 -0.333 3.788 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.127 -1.253 2.134 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -11.873 0.428 4.722 1.00 0.00 C ATOM 0 H ILE A 78 -13.739 -1.077 1.394 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.621 -3.497 2.481 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.590 -2.048 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.123 0.315 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.722 -0.612 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.400 -0.537 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.612 -2.162 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.646 -0.821 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.377 1.315 5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.588 -0.215 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.980 0.727 4.173 1.00 0.00 H new ATOM 1208 N SER A 79 -15.389 -2.369 3.664 1.00 0.00 N ATOM 1209 CA SER A 79 -16.471 -2.640 4.595 1.00 0.00 C ATOM 1210 C SER A 79 -16.760 -4.142 4.638 1.00 0.00 C ATOM 1211 O SER A 79 -17.257 -4.653 5.640 1.00 0.00 O ATOM 1212 CB SER A 79 -17.735 -1.868 4.211 1.00 0.00 C ATOM 1213 OG SER A 79 -18.380 -2.432 3.073 1.00 0.00 O ATOM 0 H SER A 79 -15.611 -1.687 2.939 1.00 0.00 H new ATOM 0 HA SER A 79 -16.161 -2.307 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.426 -1.862 5.054 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.477 -0.830 4.004 1.00 0.00 H new ATOM 0 HG SER A 79 -19.183 -1.912 2.861 1.00 0.00 H new ATOM 1219 N SER A 80 -16.436 -4.807 3.539 1.00 0.00 N ATOM 1220 CA SER A 80 -16.655 -6.240 3.439 1.00 0.00 C ATOM 1221 C SER A 80 -15.954 -6.958 4.594 1.00 0.00 C ATOM 1222 O SER A 80 -16.393 -8.023 5.025 1.00 0.00 O ATOM 1223 CB SER A 80 -16.157 -6.781 2.097 1.00 0.00 C ATOM 1224 OG SER A 80 -16.444 -8.168 1.941 1.00 0.00 O ATOM 0 H SER A 80 -16.023 -4.380 2.710 1.00 0.00 H new ATOM 0 HA SER A 80 -17.727 -6.427 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.622 -6.221 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.081 -6.622 2.019 1.00 0.00 H new ATOM 0 HG SER A 80 -16.112 -8.475 1.072 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.875 -6.346 5.061 1.00 0.00 N ATOM 1231 CA LEU A 81 -14.109 -6.914 6.158 1.00 0.00 C ATOM 1232 C LEU A 81 -14.291 -6.046 7.404 1.00 0.00 C ATOM 1233 O LEU A 81 -13.934 -6.456 8.508 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.648 -7.104 5.748 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.356 -7.025 4.248 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.860 -6.835 3.990 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.912 -8.248 3.516 1.00 0.00 C ATOM 0 H LEU A 81 -14.513 -5.463 4.700 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.478 -7.909 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.048 -6.348 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.312 -8.075 6.113 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.866 -6.149 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.680 -6.782 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.524 -5.911 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.309 -7.677 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.691 -8.167 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.451 -9.151 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.991 -8.298 3.659 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.845 -4.862 7.186 1.00 0.00 N ATOM 1250 CA ASN A 82 -15.077 -3.932 8.278 1.00 0.00 C ATOM 1251 C ASN A 82 -13.733 -3.466 8.841 1.00 0.00 C ATOM 1252 O ASN A 82 -13.364 -3.830 9.957 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.859 -4.599 9.412 1.00 0.00 C ATOM 1254 CG ASN A 82 -17.111 -5.297 8.878 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.992 -4.688 8.294 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -17.141 -6.606 9.110 1.00 0.00 N ATOM 0 H ASN A 82 -15.140 -4.526 6.269 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.652 -3.092 7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.223 -5.324 9.920 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.143 -3.851 10.152 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.935 -7.162 8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.370 -7.054 9.605 1.00 0.00 H new ATOM 1263 N LEU A 83 -13.039 -2.668 8.044 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.743 -2.149 8.448 1.00 0.00 C ATOM 1265 C LEU A 83 -11.888 -0.676 8.837 1.00 0.00 C ATOM 1266 O LEU A 83 -12.091 0.180 7.977 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.701 -2.397 7.356 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.452 -3.860 6.986 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.452 -3.972 5.834 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -10.011 -4.667 8.209 1.00 0.00 C ATOM 0 H LEU A 83 -13.349 -2.368 7.120 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.379 -2.678 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.011 -1.864 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.756 -1.958 7.677 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.392 -4.289 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.293 -5.023 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.845 -3.453 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.505 -3.521 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.841 -5.704 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.089 -4.246 8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.789 -4.627 8.971 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.779 -0.426 10.134 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.895 0.928 10.647 1.00 0.00 C ATOM 1284 C ALA A 84 -10.600 1.309 11.368 1.00 0.00 C ATOM 1285 O ALA A 84 -9.732 0.463 11.581 1.00 0.00 O ATOM 1286 CB ALA A 84 -13.120 1.026 11.558 1.00 0.00 C ATOM 0 H ALA A 84 -11.612 -1.138 10.844 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.038 1.636 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.207 2.042 11.943 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.016 0.775 10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -13.011 0.331 12.390 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.510 2.582 11.724 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.336 3.085 12.417 1.00 0.00 C ATOM 1294 C HIS A 85 -8.912 2.088 13.498 1.00 0.00 C ATOM 1295 O HIS A 85 -9.703 1.746 14.376 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.591 4.488 12.971 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.345 5.330 13.108 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.253 6.618 12.612 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.143 5.054 13.690 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.045 7.088 12.888 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.359 6.116 13.556 1.00 0.00 N ATOM 0 H HIS A 85 -11.231 3.281 11.545 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.508 3.181 11.715 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.295 5.003 12.318 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.067 4.401 13.947 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.875 4.128 14.177 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.670 8.067 12.630 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.401 6.193 13.897 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.666 1.651 13.398 1.00 0.00 N ATOM 1310 CA GLY A 86 -7.127 0.701 14.356 1.00 0.00 C ATOM 1311 C GLY A 86 -7.001 -0.692 13.736 1.00 0.00 C ATOM 1312 O GLY A 86 -6.104 -1.455 14.091 1.00 0.00 O ATOM 0 H GLY A 86 -7.014 1.937 12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.149 1.040 14.699 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.774 0.656 15.232 1.00 0.00 H new ATOM 1316 N SER A 87 -7.914 -0.982 12.820 1.00 0.00 N ATOM 1317 CA SER A 87 -7.916 -2.269 12.146 1.00 0.00 C ATOM 1318 C SER A 87 -6.509 -2.599 11.644 1.00 0.00 C ATOM 1319 O SER A 87 -5.598 -1.780 11.755 1.00 0.00 O ATOM 1320 CB SER A 87 -8.911 -2.281 10.985 1.00 0.00 C ATOM 1321 OG SER A 87 -10.247 -2.506 11.428 1.00 0.00 O ATOM 0 H SER A 87 -8.657 -0.347 12.529 1.00 0.00 H new ATOM 0 HA SER A 87 -8.227 -3.030 12.862 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.860 -1.330 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.629 -3.058 10.274 1.00 0.00 H new ATOM 0 HG SER A 87 -10.444 -1.916 12.185 1.00 0.00 H new ATOM 1327 N MET A 88 -6.376 -3.801 11.101 1.00 0.00 N ATOM 1328 CA MET A 88 -5.095 -4.249 10.581 1.00 0.00 C ATOM 1329 C MET A 88 -5.214 -4.659 9.112 1.00 0.00 C ATOM 1330 O MET A 88 -6.245 -5.180 8.690 1.00 0.00 O ATOM 1331 CB MET A 88 -4.598 -5.439 11.405 1.00 0.00 C ATOM 1332 CG MET A 88 -3.238 -5.926 10.900 1.00 0.00 C ATOM 1333 SD MET A 88 -1.937 -4.910 11.578 1.00 0.00 S ATOM 1334 CE MET A 88 -0.724 -5.050 10.276 1.00 0.00 C ATOM 0 H MET A 88 -7.134 -4.478 11.010 1.00 0.00 H new ATOM 0 HA MET A 88 -4.386 -3.425 10.653 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.519 -5.152 12.454 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.322 -6.252 11.350 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.085 -6.966 11.187 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.210 -5.888 9.811 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.197 -4.102 10.166 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.010 -5.835 10.527 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.223 -5.299 9.339 1.00 0.00 H new ATOM 1344 N VAL A 89 -4.143 -4.407 8.373 1.00 0.00 N ATOM 1345 CA VAL A 89 -4.114 -4.743 6.959 1.00 0.00 C ATOM 1346 C VAL A 89 -2.669 -5.011 6.533 1.00 0.00 C ATOM 1347 O VAL A 89 -1.744 -4.362 7.018 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.781 -3.633 6.144 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -5.043 -4.091 4.707 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -6.074 -3.163 6.814 1.00 0.00 C ATOM 0 H VAL A 89 -3.290 -3.974 8.726 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.683 -5.653 6.771 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.096 -2.786 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.518 -3.284 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.098 -4.355 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.700 -4.961 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.528 -2.374 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.767 -4.001 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.849 -2.779 7.809 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.520 -5.970 5.631 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.204 -6.332 5.134 1.00 0.00 C ATOM 1362 C TYR A 90 -1.054 -5.962 3.657 1.00 0.00 C ATOM 1363 O TYR A 90 -2.048 -5.793 2.952 1.00 0.00 O ATOM 1364 CB TYR A 90 -1.102 -7.852 5.279 1.00 0.00 C ATOM 1365 CG TYR A 90 -1.032 -8.335 6.729 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.135 -8.186 7.451 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.136 -8.920 7.315 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.201 -8.641 8.815 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.070 -9.375 8.680 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.905 -9.213 9.363 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.843 -9.643 10.651 1.00 0.00 O ATOM 0 H TYR A 90 -3.289 -6.507 5.231 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.427 -5.805 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.964 -8.312 4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.215 -8.199 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.999 -7.728 6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.049 -9.037 6.750 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.108 -8.531 9.390 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.927 -9.835 9.151 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.684 -10.086 10.889 1.00 0.00 H new ATOM 1381 N LEU A 91 0.196 -5.846 3.233 1.00 0.00 N ATOM 1382 CA LEU A 91 0.488 -5.499 1.852 1.00 0.00 C ATOM 1383 C LEU A 91 1.530 -6.472 1.296 1.00 0.00 C ATOM 1384 O LEU A 91 2.278 -7.086 2.054 1.00 0.00 O ATOM 1385 CB LEU A 91 0.901 -4.029 1.746 1.00 0.00 C ATOM 1386 CG LEU A 91 1.688 -3.643 0.492 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.809 -3.733 -0.757 1.00 0.00 C ATOM 1388 CD2 LEU A 91 2.323 -2.260 0.647 1.00 0.00 C ATOM 0 H LEU A 91 1.018 -5.986 3.821 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.405 -5.601 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.001 -3.415 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.502 -3.777 2.620 1.00 0.00 H new ATOM 0 HG LEU A 91 2.501 -4.358 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.393 -3.453 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.446 -4.754 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.039 -3.056 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.876 -2.010 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.542 -1.517 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.004 -2.265 1.498 1.00 0.00 H new ATOM 1400 N ALA A 92 1.544 -6.582 -0.024 1.00 0.00 N ATOM 1401 CA ALA A 92 2.481 -7.470 -0.691 1.00 0.00 C ATOM 1402 C ALA A 92 2.739 -6.959 -2.110 1.00 0.00 C ATOM 1403 O ALA A 92 1.814 -6.851 -2.913 1.00 0.00 O ATOM 1404 CB ALA A 92 1.930 -8.898 -0.677 1.00 0.00 C ATOM 0 H ALA A 92 0.921 -6.071 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 92 3.436 -7.484 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.633 -9.564 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.792 -9.224 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.973 -8.924 -1.197 1.00 0.00 H new ATOM 1410 N TYR A 93 4.002 -6.659 -2.376 1.00 0.00 N ATOM 1411 CA TYR A 93 4.394 -6.162 -3.684 1.00 0.00 C ATOM 1412 C TYR A 93 5.594 -6.940 -4.228 1.00 0.00 C ATOM 1413 O TYR A 93 6.292 -7.618 -3.476 1.00 0.00 O ATOM 1414 CB TYR A 93 4.799 -4.702 -3.476 1.00 0.00 C ATOM 1415 CG TYR A 93 5.885 -4.502 -2.417 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.600 -4.728 -1.085 1.00 0.00 C ATOM 1417 CD2 TYR A 93 7.149 -4.095 -2.792 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.621 -4.540 -0.088 1.00 0.00 C ATOM 1419 CE2 TYR A 93 8.170 -3.906 -1.795 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.856 -4.138 -0.492 1.00 0.00 C ATOM 1421 OH TYR A 93 8.821 -3.960 0.450 1.00 0.00 O ATOM 0 H TYR A 93 4.767 -6.751 -1.708 1.00 0.00 H new ATOM 0 HA TYR A 93 3.577 -6.271 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.151 -4.295 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.917 -4.128 -3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.611 -5.046 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.372 -3.918 -3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.411 -4.714 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.163 -3.587 -2.075 1.00 0.00 H new ATOM 0 HH TYR A 93 9.652 -3.673 0.017 1.00 0.00 H new ATOM 1431 N GLU A 94 5.797 -6.815 -5.532 1.00 0.00 N ATOM 1432 CA GLU A 94 6.901 -7.497 -6.186 1.00 0.00 C ATOM 1433 C GLU A 94 8.030 -6.511 -6.488 1.00 0.00 C ATOM 1434 O GLU A 94 7.781 -5.401 -6.958 1.00 0.00 O ATOM 1435 CB GLU A 94 6.432 -8.201 -7.461 1.00 0.00 C ATOM 1436 CG GLU A 94 7.617 -8.541 -8.367 1.00 0.00 C ATOM 1437 CD GLU A 94 7.505 -9.969 -8.904 1.00 0.00 C ATOM 1438 OE1 GLU A 94 7.313 -10.877 -8.066 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.614 -10.121 -10.140 1.00 0.00 O ATOM 0 H GLU A 94 5.216 -6.252 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 94 7.284 -8.260 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 94 5.895 -9.113 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.731 -7.561 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.657 -7.838 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.548 -8.430 -7.811 1.00 0.00 H new ATOM 1446 N GLY A 95 9.248 -6.950 -6.207 1.00 0.00 N ATOM 1447 CA GLY A 95 10.417 -6.120 -6.443 1.00 0.00 C ATOM 1448 C GLY A 95 10.610 -5.111 -5.309 1.00 0.00 C ATOM 1449 O GLY A 95 10.771 -5.495 -4.152 1.00 0.00 O ATOM 0 H GLY A 95 9.451 -7.871 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.303 -6.749 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.307 -5.592 -7.390 1.00 0.00 H new ATOM 1453 N GLU A 96 10.589 -3.839 -5.681 1.00 0.00 N ATOM 1454 CA GLU A 96 10.760 -2.772 -4.710 1.00 0.00 C ATOM 1455 C GLU A 96 9.796 -1.622 -5.009 1.00 0.00 C ATOM 1456 O GLU A 96 8.964 -1.723 -5.910 1.00 0.00 O ATOM 1457 CB GLU A 96 12.209 -2.281 -4.685 1.00 0.00 C ATOM 1458 CG GLU A 96 12.625 -1.730 -6.050 1.00 0.00 C ATOM 1459 CD GLU A 96 13.181 -0.311 -5.923 1.00 0.00 C ATOM 1460 OE1 GLU A 96 12.771 0.375 -4.962 1.00 0.00 O ATOM 1461 OE2 GLU A 96 14.005 0.056 -6.789 1.00 0.00 O ATOM 0 H GLU A 96 10.456 -3.524 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 96 10.527 -3.167 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.321 -1.506 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.870 -3.101 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.378 -2.381 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.767 -1.729 -6.722 1.00 0.00 H new ATOM 1468 N ARG A 97 9.940 -0.555 -4.237 1.00 0.00 N ATOM 1469 CA ARG A 97 9.093 0.612 -4.408 1.00 0.00 C ATOM 1470 C ARG A 97 9.667 1.531 -5.488 1.00 0.00 C ATOM 1471 O ARG A 97 10.799 1.342 -5.932 1.00 0.00 O ATOM 1472 CB ARG A 97 8.962 1.395 -3.100 1.00 0.00 C ATOM 1473 CG ARG A 97 8.662 0.457 -1.929 1.00 0.00 C ATOM 1474 CD ARG A 97 8.103 1.234 -0.734 1.00 0.00 C ATOM 1475 NE ARG A 97 9.028 1.126 0.417 1.00 0.00 N ATOM 1476 CZ ARG A 97 8.932 1.866 1.529 1.00 0.00 C ATOM 1477 NH1 ARG A 97 7.952 2.773 1.648 1.00 0.00 N ATOM 1478 NH2 ARG A 97 9.815 1.701 2.523 1.00 0.00 N ATOM 0 H ARG A 97 10.631 -0.475 -3.491 1.00 0.00 H new ATOM 0 HA ARG A 97 8.106 0.263 -4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.884 1.942 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.166 2.134 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.945 -0.303 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.572 -0.065 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.965 2.281 -1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.123 0.843 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 97 9.786 0.446 0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.280 2.899 0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.879 3.337 2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.561 1.011 2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.741 2.265 3.370 1.00 0.00 H new ATOM 1492 N THR A 98 8.861 2.506 -5.881 1.00 0.00 N ATOM 1493 CA THR A 98 9.274 3.455 -6.901 1.00 0.00 C ATOM 1494 C THR A 98 9.969 4.658 -6.260 1.00 0.00 C ATOM 1495 O THR A 98 10.311 4.626 -5.079 1.00 0.00 O ATOM 1496 CB THR A 98 8.041 3.833 -7.724 1.00 0.00 C ATOM 1497 OG1 THR A 98 7.039 4.096 -6.746 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.484 2.651 -8.519 1.00 0.00 C ATOM 0 H THR A 98 7.923 2.660 -5.511 1.00 0.00 H new ATOM 0 HA THR A 98 10.009 3.015 -7.575 1.00 0.00 H new ATOM 0 HB THR A 98 8.295 4.643 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.650 3.250 -6.441 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.610 2.973 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.246 2.283 -9.206 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.198 1.854 -7.833 1.00 0.00 H new