USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 938 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 Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00639) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0317 (180deg=-0.179) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 24:sc= -2! USER MOD Single : A 4 THR OG1 : rot 52:sc= -2.07! USER MOD Single : A 9 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.994) USER MOD Single : A 25 THR OG1 : rot 59:sc= 0.901 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.331 (180deg=0.331) USER MOD Single : A 37 TYR OH : rot 26:sc= 0.934 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 1.17 (180deg=0.981) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 0.822 (180deg=0.301) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-0.00374 X(o=-0.0037,f=-0.36) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 175:sc=-0.00855 (180deg=-0.0335) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 28:sc= -2.52! USER MOD Single : B 4 THR OG1 : rot 58:sc= -2.15! USER MOD Single : B 9 LYS NZ :NH3+ -151:sc= 0.939 (180deg=0.401) USER MOD Single : B 25 THR OG1 : rot 60:sc= 0.913 USER MOD Single : B 31 LYS NZ :NH3+ 178:sc= 0.934 (180deg=0.929) USER MOD Single : B 37 TYR OH : rot 29:sc= 1.21 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ -139:sc= 1.02 (180deg=0.42) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 2.31 (180deg=2.31) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.493 15.264 7.167 1.00 1.54 N ATOM 2 CA MET A 1 5.816 14.310 6.262 1.00 0.91 C ATOM 3 C MET A 1 5.790 12.916 6.877 1.00 0.89 C ATOM 4 O MET A 1 6.810 12.397 7.326 1.00 1.68 O ATOM 5 CB MET A 1 6.511 14.281 4.893 1.00 1.24 C ATOM 6 CG MET A 1 7.987 13.918 4.951 1.00 1.65 C ATOM 7 SD MET A 1 8.775 13.971 3.330 1.00 2.37 S ATOM 8 CE MET A 1 10.455 13.515 3.761 1.00 2.99 C ATOM 0 H1 MET A 1 6.653 16.162 6.668 1.00 1.54 H new ATOM 0 H2 MET A 1 5.897 15.433 8.002 1.00 1.54 H new ATOM 0 H3 MET A 1 7.406 14.868 7.468 1.00 1.54 H new ATOM 0 HA MET A 1 4.788 14.642 6.119 1.00 0.91 H new ATOM 0 HB2 MET A 1 5.997 13.565 4.252 1.00 1.24 H new ATOM 0 HB3 MET A 1 6.407 15.260 4.424 1.00 1.24 H new ATOM 0 HG2 MET A 1 8.501 14.605 5.624 1.00 1.65 H new ATOM 0 HG3 MET A 1 8.096 12.918 5.372 1.00 1.65 H new ATOM 0 HE1 MET A 1 11.063 13.468 2.857 1.00 2.99 H new ATOM 0 HE2 MET A 1 10.871 14.259 4.440 1.00 2.99 H new ATOM 0 HE3 MET A 1 10.454 12.540 4.248 1.00 2.99 H new ATOM 20 N LYS A 2 4.604 12.336 6.918 1.00 0.70 N ATOM 21 CA LYS A 2 4.395 10.997 7.453 1.00 0.49 C ATOM 22 C LYS A 2 3.039 10.482 6.980 1.00 0.38 C ATOM 23 O LYS A 2 2.775 10.437 5.781 1.00 0.43 O ATOM 24 CB LYS A 2 4.473 11.002 8.992 1.00 0.61 C ATOM 25 CG LYS A 2 3.557 12.023 9.660 1.00 1.19 C ATOM 26 CD LYS A 2 3.355 11.719 11.135 1.00 1.30 C ATOM 27 CE LYS A 2 2.688 10.365 11.327 1.00 1.32 C ATOM 28 NZ LYS A 2 2.370 10.087 12.752 1.00 1.86 N ATOM 0 H LYS A 2 3.751 12.781 6.579 1.00 0.70 H new ATOM 0 HA LYS A 2 5.181 10.335 7.089 1.00 0.49 H new ATOM 0 HB2 LYS A 2 4.221 10.008 9.361 1.00 0.61 H new ATOM 0 HB3 LYS A 2 5.502 11.202 9.292 1.00 0.61 H new ATOM 0 HG2 LYS A 2 3.982 13.020 9.549 1.00 1.19 H new ATOM 0 HG3 LYS A 2 2.591 12.030 9.155 1.00 1.19 H new ATOM 0 HD2 LYS A 2 4.317 11.730 11.647 1.00 1.30 H new ATOM 0 HD3 LYS A 2 2.743 12.498 11.590 1.00 1.30 H new ATOM 0 HE2 LYS A 2 1.771 10.328 10.739 1.00 1.32 H new ATOM 0 HE3 LYS A 2 3.343 9.583 10.945 1.00 1.32 H new ATOM 0 HZ1 LYS A 2 1.917 9.154 12.831 1.00 1.86 H new ATOM 0 HZ2 LYS A 2 3.247 10.095 13.311 1.00 1.86 H new ATOM 0 HZ3 LYS A 2 1.723 10.817 13.112 1.00 1.86 H new ATOM 42 N SER A 3 2.190 10.089 7.920 1.00 0.32 N ATOM 43 CA SER A 3 0.809 9.778 7.632 1.00 0.24 C ATOM 44 C SER A 3 0.148 10.933 6.928 1.00 0.25 C ATOM 45 O SER A 3 0.258 12.083 7.347 1.00 0.41 O ATOM 46 CB SER A 3 0.077 9.488 8.938 1.00 0.29 C ATOM 47 OG SER A 3 0.026 10.639 9.767 1.00 1.15 O ATOM 0 H SER A 3 2.446 9.979 8.901 1.00 0.32 H new ATOM 0 HA SER A 3 0.768 8.903 6.983 1.00 0.24 H new ATOM 0 HB2 SER A 3 -0.936 9.148 8.722 1.00 0.29 H new ATOM 0 HB3 SER A 3 0.579 8.678 9.467 1.00 0.29 H new ATOM 0 HG SER A 3 0.121 11.444 9.216 1.00 1.15 H new ATOM 53 N THR A 4 -0.518 10.632 5.852 1.00 0.20 N ATOM 54 CA THR A 4 -1.218 11.648 5.131 1.00 0.20 C ATOM 55 C THR A 4 -2.710 11.572 5.410 1.00 0.21 C ATOM 56 O THR A 4 -3.390 12.593 5.514 1.00 0.26 O ATOM 57 CB THR A 4 -0.960 11.507 3.631 1.00 0.19 C ATOM 58 OG1 THR A 4 -1.066 10.127 3.256 1.00 0.19 O ATOM 59 CG2 THR A 4 0.418 12.038 3.270 1.00 0.24 C ATOM 0 H THR A 4 -0.590 9.694 5.457 1.00 0.20 H new ATOM 0 HA THR A 4 -0.851 12.618 5.464 1.00 0.20 H new ATOM 0 HB THR A 4 -1.704 12.091 3.090 1.00 0.19 H new ATOM 0 HG1 THR A 4 -1.917 9.764 3.581 1.00 0.19 H new ATOM 0 HG21 THR A 4 0.581 11.928 2.198 1.00 0.24 H new ATOM 0 HG22 THR A 4 0.484 13.092 3.541 1.00 0.24 H new ATOM 0 HG23 THR A 4 1.178 11.476 3.812 1.00 0.24 H new ATOM 67 N GLY A 5 -3.207 10.352 5.563 1.00 0.19 N ATOM 68 CA GLY A 5 -4.635 10.149 5.651 1.00 0.22 C ATOM 69 C GLY A 5 -5.245 10.347 4.288 1.00 0.22 C ATOM 70 O GLY A 5 -6.301 10.964 4.130 1.00 0.36 O ATOM 0 H GLY A 5 -2.646 9.502 5.627 1.00 0.19 H new ATOM 0 HA2 GLY A 5 -4.850 9.145 6.017 1.00 0.22 H new ATOM 0 HA3 GLY A 5 -5.071 10.849 6.364 1.00 0.22 H new ATOM 74 N ILE A 6 -4.550 9.807 3.306 1.00 0.14 N ATOM 75 CA ILE A 6 -4.799 10.090 1.908 1.00 0.14 C ATOM 76 C ILE A 6 -5.200 8.810 1.188 1.00 0.12 C ATOM 77 O ILE A 6 -4.503 7.801 1.280 1.00 0.11 O ATOM 78 CB ILE A 6 -3.525 10.726 1.271 1.00 0.16 C ATOM 79 CG1 ILE A 6 -3.725 12.231 1.059 1.00 0.18 C ATOM 80 CG2 ILE A 6 -3.151 10.068 -0.053 1.00 0.17 C ATOM 81 CD1 ILE A 6 -3.946 13.014 2.332 1.00 0.19 C ATOM 0 H ILE A 6 -3.785 9.150 3.460 1.00 0.14 H new ATOM 0 HA ILE A 6 -5.620 10.801 1.813 1.00 0.14 H new ATOM 0 HB ILE A 6 -2.705 10.559 1.970 1.00 0.16 H new ATOM 0 HG12 ILE A 6 -2.851 12.633 0.546 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.580 12.383 0.400 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -2.258 10.545 -0.457 1.00 0.17 H new ATOM 0 HG22 ILE A 6 -2.954 9.008 0.110 1.00 0.17 H new ATOM 0 HG23 ILE A 6 -3.973 10.179 -0.760 1.00 0.17 H new ATOM 0 HD11 ILE A 6 -4.078 14.069 2.092 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -4.837 12.642 2.838 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.082 12.896 2.986 1.00 0.19 H new ATOM 93 N VAL A 7 -6.334 8.826 0.504 1.00 0.13 N ATOM 94 CA VAL A 7 -6.794 7.622 -0.169 1.00 0.12 C ATOM 95 C VAL A 7 -6.344 7.612 -1.627 1.00 0.13 C ATOM 96 O VAL A 7 -6.199 8.665 -2.250 1.00 0.16 O ATOM 97 CB VAL A 7 -8.333 7.441 -0.109 1.00 0.15 C ATOM 98 CG1 VAL A 7 -8.893 7.878 1.236 1.00 0.22 C ATOM 99 CG2 VAL A 7 -9.034 8.155 -1.260 1.00 0.21 C ATOM 0 H VAL A 7 -6.940 9.640 0.401 1.00 0.13 H new ATOM 0 HA VAL A 7 -6.343 6.788 0.368 1.00 0.12 H new ATOM 0 HB VAL A 7 -8.534 6.375 -0.220 1.00 0.15 H new ATOM 0 HG11 VAL A 7 -9.974 7.738 1.243 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -8.444 7.280 2.029 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -8.663 8.931 1.401 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.110 8.003 -1.181 1.00 0.21 H new ATOM 0 HG22 VAL A 7 -8.814 9.222 -1.215 1.00 0.21 H new ATOM 0 HG23 VAL A 7 -8.680 7.751 -2.208 1.00 0.21 H new ATOM 109 N ARG A 8 -6.105 6.421 -2.153 1.00 0.12 N ATOM 110 CA ARG A 8 -5.759 6.250 -3.557 1.00 0.14 C ATOM 111 C ARG A 8 -6.502 5.066 -4.141 1.00 0.15 C ATOM 112 O ARG A 8 -6.937 4.179 -3.411 1.00 0.13 O ATOM 113 CB ARG A 8 -4.249 6.060 -3.733 1.00 0.14 C ATOM 114 CG ARG A 8 -3.450 7.315 -3.447 1.00 0.20 C ATOM 115 CD ARG A 8 -3.888 8.434 -4.369 1.00 0.32 C ATOM 116 NE ARG A 8 -3.099 9.654 -4.189 1.00 0.48 N ATOM 117 CZ ARG A 8 -3.549 10.873 -4.490 1.00 0.65 C ATOM 118 NH1 ARG A 8 -4.755 11.021 -5.021 1.00 1.60 N ATOM 119 NH2 ARG A 8 -2.793 11.942 -4.273 1.00 0.67 N ATOM 0 H ARG A 8 -6.145 5.550 -1.623 1.00 0.12 H new ATOM 0 HA ARG A 8 -6.054 7.154 -4.089 1.00 0.14 H new ATOM 0 HB2 ARG A 8 -3.910 5.263 -3.071 1.00 0.14 H new ATOM 0 HB3 ARG A 8 -4.047 5.734 -4.753 1.00 0.14 H new ATOM 0 HG2 ARG A 8 -3.588 7.614 -2.408 1.00 0.20 H new ATOM 0 HG3 ARG A 8 -2.387 7.117 -3.583 1.00 0.20 H new ATOM 0 HD2 ARG A 8 -3.804 8.101 -5.404 1.00 0.32 H new ATOM 0 HD3 ARG A 8 -4.940 8.656 -4.190 1.00 0.32 H new ATOM 0 HE ARG A 8 -2.155 9.567 -3.813 1.00 0.48 H new ATOM 0 HH11 ARG A 8 -5.338 10.203 -5.199 1.00 1.60 H new ATOM 0 HH12 ARG A 8 -5.100 11.953 -5.251 1.00 1.60 H new ATOM 0 HH21 ARG A 8 -1.861 11.835 -3.873 1.00 0.67 H new ATOM 0 HH22 ARG A 8 -3.144 12.871 -4.506 1.00 0.67 H new ATOM 133 N LYS A 9 -6.656 5.068 -5.451 1.00 0.18 N ATOM 134 CA LYS A 9 -7.304 3.968 -6.147 1.00 0.19 C ATOM 135 C LYS A 9 -6.324 2.823 -6.326 1.00 0.18 C ATOM 136 O LYS A 9 -5.108 3.031 -6.363 1.00 0.21 O ATOM 137 CB LYS A 9 -7.800 4.422 -7.523 1.00 0.23 C ATOM 138 CG LYS A 9 -8.702 5.648 -7.499 1.00 0.34 C ATOM 139 CD LYS A 9 -10.182 5.280 -7.565 1.00 0.43 C ATOM 140 CE LYS A 9 -10.738 4.862 -6.214 1.00 0.37 C ATOM 141 NZ LYS A 9 -12.176 4.492 -6.300 1.00 1.09 N ATOM 0 H LYS A 9 -6.340 5.823 -6.060 1.00 0.18 H new ATOM 0 HA LYS A 9 -8.155 3.637 -5.551 1.00 0.19 H new ATOM 0 HB2 LYS A 9 -6.937 4.635 -8.154 1.00 0.23 H new ATOM 0 HB3 LYS A 9 -8.341 3.599 -7.990 1.00 0.23 H new ATOM 0 HG2 LYS A 9 -8.512 6.218 -6.590 1.00 0.34 H new ATOM 0 HG3 LYS A 9 -8.453 6.296 -8.340 1.00 0.34 H new ATOM 0 HD2 LYS A 9 -10.749 6.132 -7.940 1.00 0.43 H new ATOM 0 HD3 LYS A 9 -10.320 4.467 -8.278 1.00 0.43 H new ATOM 0 HE2 LYS A 9 -10.167 4.016 -5.832 1.00 0.37 H new ATOM 0 HE3 LYS A 9 -10.614 5.678 -5.502 1.00 0.37 H new ATOM 0 HZ1 LYS A 9 -12.658 4.766 -5.420 1.00 1.09 H new ATOM 0 HZ2 LYS A 9 -12.614 4.987 -7.103 1.00 1.09 H new ATOM 0 HZ3 LYS A 9 -12.263 3.465 -6.437 1.00 1.09 H new ATOM 155 N VAL A 10 -6.857 1.620 -6.448 1.00 0.17 N ATOM 156 CA VAL A 10 -6.025 0.436 -6.636 1.00 0.17 C ATOM 157 C VAL A 10 -5.772 0.214 -8.136 1.00 0.22 C ATOM 158 O VAL A 10 -5.328 -0.852 -8.579 1.00 0.25 O ATOM 159 CB VAL A 10 -6.676 -0.798 -5.970 1.00 0.19 C ATOM 160 CG1 VAL A 10 -5.738 -1.997 -5.956 1.00 0.22 C ATOM 161 CG2 VAL A 10 -7.108 -0.449 -4.552 1.00 0.20 C ATOM 0 H VAL A 10 -7.859 1.433 -6.421 1.00 0.17 H new ATOM 0 HA VAL A 10 -5.061 0.589 -6.151 1.00 0.17 H new ATOM 0 HB VAL A 10 -7.549 -1.076 -6.560 1.00 0.19 H new ATOM 0 HG11 VAL A 10 -6.235 -2.842 -5.479 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.472 -2.263 -6.979 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -4.835 -1.746 -5.400 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -7.566 -1.321 -4.086 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -6.238 -0.143 -3.971 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -7.830 0.367 -4.582 1.00 0.20 H new ATOM 171 N ASP A 11 -6.084 1.258 -8.904 1.00 0.24 N ATOM 172 CA ASP A 11 -5.690 1.380 -10.304 1.00 0.35 C ATOM 173 C ASP A 11 -6.487 0.453 -11.220 1.00 0.44 C ATOM 174 O ASP A 11 -7.560 0.824 -11.697 1.00 0.77 O ATOM 175 CB ASP A 11 -4.187 1.142 -10.450 1.00 0.41 C ATOM 176 CG ASP A 11 -3.622 1.606 -11.771 1.00 0.49 C ATOM 177 OD1 ASP A 11 -3.874 2.768 -12.155 1.00 1.32 O ATOM 178 OD2 ASP A 11 -2.892 0.822 -12.409 1.00 1.11 O ATOM 0 H ASP A 11 -6.625 2.053 -8.564 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.920 2.397 -10.621 1.00 0.35 H new ATOM 0 HB2 ASP A 11 -3.667 1.657 -9.642 1.00 0.41 H new ATOM 0 HB3 ASP A 11 -3.984 0.078 -10.332 1.00 0.41 H new ATOM 183 N GLU A 12 -5.978 -0.750 -11.461 1.00 0.34 N ATOM 184 CA GLU A 12 -6.599 -1.662 -12.417 1.00 0.38 C ATOM 185 C GLU A 12 -6.147 -3.101 -12.200 1.00 0.29 C ATOM 186 O GLU A 12 -6.968 -4.002 -12.049 1.00 0.35 O ATOM 187 CB GLU A 12 -6.243 -1.214 -13.842 1.00 0.58 C ATOM 188 CG GLU A 12 -4.790 -0.780 -13.967 1.00 0.72 C ATOM 189 CD GLU A 12 -4.484 -0.003 -15.231 1.00 1.25 C ATOM 190 OE1 GLU A 12 -5.097 1.064 -15.442 1.00 1.53 O ATOM 191 OE2 GLU A 12 -3.597 -0.436 -15.995 1.00 2.06 O ATOM 0 H GLU A 12 -5.140 -1.116 -11.010 1.00 0.34 H new ATOM 0 HA GLU A 12 -7.678 -1.630 -12.269 1.00 0.38 H new ATOM 0 HB2 GLU A 12 -6.436 -2.032 -14.536 1.00 0.58 H new ATOM 0 HB3 GLU A 12 -6.892 -0.389 -14.133 1.00 0.58 H new ATOM 0 HG2 GLU A 12 -4.529 -0.167 -13.104 1.00 0.72 H new ATOM 0 HG3 GLU A 12 -4.154 -1.664 -13.934 1.00 0.72 H new ATOM 198 N LEU A 13 -4.841 -3.309 -12.197 1.00 0.25 N ATOM 199 CA LEU A 13 -4.285 -4.647 -12.042 1.00 0.25 C ATOM 200 C LEU A 13 -4.170 -5.014 -10.573 1.00 0.26 C ATOM 201 O LEU A 13 -3.895 -6.159 -10.227 1.00 0.41 O ATOM 202 CB LEU A 13 -2.916 -4.752 -12.725 1.00 0.33 C ATOM 203 CG LEU A 13 -2.955 -4.996 -14.239 1.00 0.41 C ATOM 204 CD1 LEU A 13 -3.710 -6.279 -14.550 1.00 0.45 C ATOM 205 CD2 LEU A 13 -3.581 -3.818 -14.973 1.00 0.40 C ATOM 0 H LEU A 13 -4.145 -2.571 -12.300 1.00 0.25 H new ATOM 0 HA LEU A 13 -4.964 -5.351 -12.523 1.00 0.25 H new ATOM 0 HB2 LEU A 13 -2.363 -3.832 -12.536 1.00 0.33 H new ATOM 0 HB3 LEU A 13 -2.356 -5.562 -12.257 1.00 0.33 H new ATOM 0 HG LEU A 13 -1.928 -5.100 -14.589 1.00 0.41 H new ATOM 0 HD11 LEU A 13 -3.729 -6.438 -15.628 1.00 0.45 H new ATOM 0 HD12 LEU A 13 -3.212 -7.120 -14.068 1.00 0.45 H new ATOM 0 HD13 LEU A 13 -4.731 -6.200 -14.177 1.00 0.45 H new ATOM 0 HD21 LEU A 13 -3.594 -4.022 -16.044 1.00 0.40 H new ATOM 0 HD22 LEU A 13 -4.601 -3.670 -14.619 1.00 0.40 H new ATOM 0 HD23 LEU A 13 -2.996 -2.918 -14.782 1.00 0.40 H new ATOM 217 N GLY A 14 -4.382 -4.034 -9.713 1.00 0.19 N ATOM 218 CA GLY A 14 -4.323 -4.275 -8.291 1.00 0.18 C ATOM 219 C GLY A 14 -3.178 -3.541 -7.660 1.00 0.15 C ATOM 220 O GLY A 14 -2.791 -3.816 -6.539 1.00 0.18 O ATOM 0 H GLY A 14 -4.595 -3.072 -9.976 1.00 0.19 H new ATOM 0 HA2 GLY A 14 -5.258 -3.961 -7.828 1.00 0.18 H new ATOM 0 HA3 GLY A 14 -4.219 -5.344 -8.105 1.00 0.18 H new ATOM 224 N ARG A 15 -2.625 -2.609 -8.401 1.00 0.14 N ATOM 225 CA ARG A 15 -1.550 -1.788 -7.910 1.00 0.13 C ATOM 226 C ARG A 15 -2.085 -0.448 -7.409 1.00 0.14 C ATOM 227 O ARG A 15 -2.627 0.333 -8.178 1.00 0.17 O ATOM 228 CB ARG A 15 -0.511 -1.603 -9.020 1.00 0.13 C ATOM 229 CG ARG A 15 -1.089 -1.083 -10.324 1.00 0.23 C ATOM 230 CD ARG A 15 -0.263 -1.511 -11.524 1.00 0.37 C ATOM 231 NE ARG A 15 -0.889 -1.095 -12.784 1.00 0.86 N ATOM 232 CZ ARG A 15 -0.326 -1.232 -13.987 1.00 1.03 C ATOM 233 NH1 ARG A 15 0.942 -1.608 -14.095 1.00 1.33 N ATOM 234 NH2 ARG A 15 -1.013 -0.938 -15.087 1.00 1.58 N ATOM 0 H ARG A 15 -2.909 -2.401 -9.358 1.00 0.14 H new ATOM 0 HA ARG A 15 -1.069 -2.278 -7.064 1.00 0.13 H new ATOM 0 HB2 ARG A 15 0.257 -0.912 -8.673 1.00 0.13 H new ATOM 0 HB3 ARG A 15 -0.020 -2.558 -9.207 1.00 0.13 H new ATOM 0 HG2 ARG A 15 -2.110 -1.447 -10.438 1.00 0.23 H new ATOM 0 HG3 ARG A 15 -1.141 0.005 -10.289 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.735 -1.079 -11.453 1.00 0.37 H new ATOM 0 HD3 ARG A 15 -0.143 -2.594 -11.517 1.00 0.37 H new ATOM 0 HE ARG A 15 -1.816 -0.673 -12.738 1.00 0.86 H new ATOM 0 HH11 ARG A 15 1.492 -1.794 -13.256 1.00 1.33 H new ATOM 0 HH12 ARG A 15 1.367 -1.711 -15.017 1.00 1.33 H new ATOM 0 HH21 ARG A 15 -1.975 -0.606 -15.014 1.00 1.58 H new ATOM 0 HH22 ARG A 15 -0.578 -1.044 -16.004 1.00 1.58 H new ATOM 248 N VAL A 16 -1.923 -0.177 -6.121 1.00 0.14 N ATOM 249 CA VAL A 16 -2.416 1.068 -5.554 1.00 0.14 C ATOM 250 C VAL A 16 -1.393 2.148 -5.815 1.00 0.12 C ATOM 251 O VAL A 16 -0.212 1.972 -5.521 1.00 0.12 O ATOM 252 CB VAL A 16 -2.690 0.970 -4.026 1.00 0.15 C ATOM 253 CG1 VAL A 16 -1.411 0.906 -3.209 1.00 0.15 C ATOM 254 CG2 VAL A 16 -3.561 2.132 -3.567 1.00 0.17 C ATOM 0 H VAL A 16 -1.459 -0.796 -5.456 1.00 0.14 H new ATOM 0 HA VAL A 16 -3.369 1.299 -6.030 1.00 0.14 H new ATOM 0 HB VAL A 16 -3.223 0.034 -3.855 1.00 0.15 H new ATOM 0 HG11 VAL A 16 -1.659 0.839 -2.150 1.00 0.15 H new ATOM 0 HG12 VAL A 16 -0.835 0.029 -3.503 1.00 0.15 H new ATOM 0 HG13 VAL A 16 -0.820 1.805 -3.387 1.00 0.15 H new ATOM 0 HG21 VAL A 16 -3.744 2.049 -2.496 1.00 0.17 H new ATOM 0 HG22 VAL A 16 -3.052 3.073 -3.776 1.00 0.17 H new ATOM 0 HG23 VAL A 16 -4.511 2.107 -4.100 1.00 0.17 H new ATOM 264 N VAL A 17 -1.819 3.249 -6.399 1.00 0.12 N ATOM 265 CA VAL A 17 -0.877 4.288 -6.743 1.00 0.11 C ATOM 266 C VAL A 17 -0.480 5.034 -5.486 1.00 0.10 C ATOM 267 O VAL A 17 -1.085 6.045 -5.126 1.00 0.12 O ATOM 268 CB VAL A 17 -1.434 5.274 -7.793 1.00 0.14 C ATOM 269 CG1 VAL A 17 -0.343 6.214 -8.287 1.00 0.16 C ATOM 270 CG2 VAL A 17 -2.069 4.526 -8.957 1.00 0.19 C ATOM 0 H VAL A 17 -2.791 3.444 -6.640 1.00 0.12 H new ATOM 0 HA VAL A 17 -0.006 3.811 -7.193 1.00 0.11 H new ATOM 0 HB VAL A 17 -2.207 5.874 -7.314 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.760 6.899 -9.026 1.00 0.16 H new ATOM 0 HG12 VAL A 17 0.054 6.784 -7.447 1.00 0.16 H new ATOM 0 HG13 VAL A 17 0.459 5.633 -8.743 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -2.454 5.242 -9.683 1.00 0.19 H new ATOM 0 HG22 VAL A 17 -1.321 3.892 -9.434 1.00 0.19 H new ATOM 0 HG23 VAL A 17 -2.887 3.907 -8.589 1.00 0.19 H new ATOM 280 N ILE A 18 0.508 4.482 -4.794 1.00 0.10 N ATOM 281 CA ILE A 18 1.016 5.096 -3.598 1.00 0.10 C ATOM 282 C ILE A 18 1.733 6.380 -3.974 1.00 0.10 C ATOM 283 O ILE A 18 2.701 6.356 -4.731 1.00 0.11 O ATOM 284 CB ILE A 18 1.946 4.176 -2.776 1.00 0.12 C ATOM 285 CG1 ILE A 18 2.776 4.993 -1.776 1.00 0.15 C ATOM 286 CG2 ILE A 18 2.846 3.332 -3.667 1.00 0.14 C ATOM 287 CD1 ILE A 18 3.417 4.159 -0.692 1.00 0.20 C ATOM 0 H ILE A 18 0.967 3.608 -5.050 1.00 0.10 H new ATOM 0 HA ILE A 18 0.164 5.305 -2.951 1.00 0.10 H new ATOM 0 HB ILE A 18 1.310 3.489 -2.217 1.00 0.12 H new ATOM 0 HG12 ILE A 18 3.555 5.530 -2.317 1.00 0.15 H new ATOM 0 HG13 ILE A 18 2.135 5.743 -1.313 1.00 0.15 H new ATOM 0 HG21 ILE A 18 3.483 2.701 -3.047 1.00 0.14 H new ATOM 0 HG22 ILE A 18 2.233 2.705 -4.314 1.00 0.14 H new ATOM 0 HG23 ILE A 18 3.468 3.985 -4.279 1.00 0.14 H new ATOM 0 HD11 ILE A 18 3.986 4.806 -0.024 1.00 0.20 H new ATOM 0 HD12 ILE A 18 2.643 3.643 -0.124 1.00 0.20 H new ATOM 0 HD13 ILE A 18 4.085 3.426 -1.144 1.00 0.20 H new ATOM 299 N PRO A 19 1.252 7.517 -3.476 1.00 0.14 N ATOM 300 CA PRO A 19 1.745 8.822 -3.896 1.00 0.17 C ATOM 301 C PRO A 19 3.261 8.948 -3.808 1.00 0.18 C ATOM 302 O PRO A 19 3.887 8.435 -2.873 1.00 0.15 O ATOM 303 CB PRO A 19 1.081 9.783 -2.923 1.00 0.22 C ATOM 304 CG PRO A 19 -0.171 9.086 -2.520 1.00 0.22 C ATOM 305 CD PRO A 19 0.184 7.627 -2.471 1.00 0.19 C ATOM 0 HA PRO A 19 1.512 9.014 -4.943 1.00 0.17 H new ATOM 0 HB2 PRO A 19 1.720 9.984 -2.063 1.00 0.22 H new ATOM 0 HB3 PRO A 19 0.869 10.743 -3.393 1.00 0.22 H new ATOM 0 HG2 PRO A 19 -0.522 9.438 -1.550 1.00 0.22 H new ATOM 0 HG3 PRO A 19 -0.972 9.272 -3.235 1.00 0.22 H new ATOM 0 HD2 PRO A 19 0.528 7.328 -1.481 1.00 0.19 H new ATOM 0 HD3 PRO A 19 -0.669 6.995 -2.717 1.00 0.19 H new ATOM 313 N ILE A 20 3.834 9.663 -4.773 1.00 0.24 N ATOM 314 CA ILE A 20 5.277 9.856 -4.846 1.00 0.27 C ATOM 315 C ILE A 20 5.782 10.491 -3.562 1.00 0.27 C ATOM 316 O ILE A 20 6.879 10.208 -3.095 1.00 0.26 O ATOM 317 CB ILE A 20 5.678 10.738 -6.054 1.00 0.39 C ATOM 318 CG1 ILE A 20 5.118 12.165 -5.930 1.00 0.47 C ATOM 319 CG2 ILE A 20 5.207 10.093 -7.344 1.00 0.44 C ATOM 320 CD1 ILE A 20 6.089 13.154 -5.310 1.00 0.51 C ATOM 0 H ILE A 20 3.314 10.122 -5.521 1.00 0.24 H new ATOM 0 HA ILE A 20 5.734 8.875 -4.978 1.00 0.27 H new ATOM 0 HB ILE A 20 6.765 10.816 -6.066 1.00 0.39 H new ATOM 0 HG12 ILE A 20 4.835 12.521 -6.920 1.00 0.47 H new ATOM 0 HG13 ILE A 20 4.209 12.137 -5.329 1.00 0.47 H new ATOM 0 HG21 ILE A 20 5.493 10.719 -8.189 1.00 0.44 H new ATOM 0 HG22 ILE A 20 5.667 9.110 -7.449 1.00 0.44 H new ATOM 0 HG23 ILE A 20 4.123 9.986 -7.322 1.00 0.44 H new ATOM 0 HD11 ILE A 20 5.622 14.137 -5.256 1.00 0.51 H new ATOM 0 HD12 ILE A 20 6.354 12.823 -4.306 1.00 0.51 H new ATOM 0 HD13 ILE A 20 6.989 13.213 -5.922 1.00 0.51 H new ATOM 332 N GLU A 21 4.933 11.325 -2.987 1.00 0.31 N ATOM 333 CA GLU A 21 5.255 12.073 -1.789 1.00 0.35 C ATOM 334 C GLU A 21 5.413 11.136 -0.612 1.00 0.31 C ATOM 335 O GLU A 21 6.335 11.265 0.199 1.00 0.32 O ATOM 336 CB GLU A 21 4.151 13.095 -1.516 1.00 0.42 C ATOM 337 CG GLU A 21 2.920 12.897 -2.399 1.00 0.62 C ATOM 338 CD GLU A 21 1.795 13.857 -2.080 1.00 0.61 C ATOM 339 OE1 GLU A 21 1.816 15.003 -2.579 1.00 1.17 O ATOM 340 OE2 GLU A 21 0.871 13.467 -1.342 1.00 1.33 O ATOM 0 H GLU A 21 3.994 11.502 -3.343 1.00 0.31 H new ATOM 0 HA GLU A 21 6.199 12.598 -1.935 1.00 0.35 H new ATOM 0 HB2 GLU A 21 3.854 13.030 -0.469 1.00 0.42 H new ATOM 0 HB3 GLU A 21 4.546 14.099 -1.673 1.00 0.42 H new ATOM 0 HG2 GLU A 21 3.207 13.019 -3.443 1.00 0.62 H new ATOM 0 HG3 GLU A 21 2.560 11.875 -2.284 1.00 0.62 H new ATOM 347 N LEU A 22 4.525 10.168 -0.534 1.00 0.28 N ATOM 348 CA LEU A 22 4.601 9.194 0.519 1.00 0.27 C ATOM 349 C LEU A 22 5.808 8.307 0.335 1.00 0.24 C ATOM 350 O LEU A 22 6.593 8.138 1.256 1.00 0.26 O ATOM 351 CB LEU A 22 3.330 8.372 0.605 1.00 0.27 C ATOM 352 CG LEU A 22 2.217 9.062 1.375 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.346 9.896 0.455 1.00 0.34 C ATOM 354 CD2 LEU A 22 1.396 8.043 2.142 1.00 0.32 C ATOM 0 H LEU A 22 3.750 10.040 -1.185 1.00 0.28 H new ATOM 0 HA LEU A 22 4.709 9.728 1.463 1.00 0.27 H new ATOM 0 HB2 LEU A 22 2.981 8.150 -0.403 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.555 7.418 1.082 1.00 0.27 H new ATOM 0 HG LEU A 22 2.670 9.744 2.094 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.559 10.377 1.036 1.00 0.34 H new ATOM 0 HD12 LEU A 22 1.955 10.658 -0.031 1.00 0.34 H new ATOM 0 HD13 LEU A 22 0.897 9.253 -0.302 1.00 0.34 H new ATOM 0 HD21 LEU A 22 0.602 8.552 2.689 1.00 0.32 H new ATOM 0 HD22 LEU A 22 0.956 7.330 1.444 1.00 0.32 H new ATOM 0 HD23 LEU A 22 2.039 7.513 2.845 1.00 0.32 H new ATOM 366 N ARG A 23 6.010 7.794 -0.869 1.00 0.20 N ATOM 367 CA ARG A 23 7.151 6.924 -1.100 1.00 0.19 C ATOM 368 C ARG A 23 8.435 7.735 -1.046 1.00 0.19 C ATOM 369 O ARG A 23 9.524 7.189 -0.993 1.00 0.20 O ATOM 370 CB ARG A 23 7.015 6.137 -2.421 1.00 0.21 C ATOM 371 CG ARG A 23 6.945 6.980 -3.688 1.00 0.28 C ATOM 372 CD ARG A 23 8.329 7.336 -4.217 1.00 0.31 C ATOM 373 NE ARG A 23 8.256 8.073 -5.476 1.00 0.70 N ATOM 374 CZ ARG A 23 8.944 9.183 -5.737 1.00 0.89 C ATOM 375 NH1 ARG A 23 9.791 9.682 -4.846 1.00 0.91 N ATOM 376 NH2 ARG A 23 8.790 9.784 -6.905 1.00 1.38 N ATOM 0 H ARG A 23 5.416 7.959 -1.681 1.00 0.20 H new ATOM 0 HA ARG A 23 7.185 6.177 -0.307 1.00 0.19 H new ATOM 0 HB2 ARG A 23 7.862 5.456 -2.506 1.00 0.21 H new ATOM 0 HB3 ARG A 23 6.117 5.522 -2.365 1.00 0.21 H new ATOM 0 HG2 ARG A 23 6.393 6.436 -4.455 1.00 0.28 H new ATOM 0 HG3 ARG A 23 6.389 7.895 -3.484 1.00 0.28 H new ATOM 0 HD2 ARG A 23 8.858 7.935 -3.476 1.00 0.31 H new ATOM 0 HD3 ARG A 23 8.908 6.424 -4.363 1.00 0.31 H new ATOM 0 HE ARG A 23 7.637 7.714 -6.203 1.00 0.70 H new ATOM 0 HH11 ARG A 23 9.921 9.215 -3.949 1.00 0.91 H new ATOM 0 HH12 ARG A 23 10.312 10.533 -5.058 1.00 0.91 H new ATOM 0 HH21 ARG A 23 8.148 9.397 -7.597 1.00 1.38 H new ATOM 0 HH22 ARG A 23 9.313 10.635 -7.114 1.00 1.38 H new ATOM 390 N ARG A 24 8.282 9.047 -1.038 1.00 0.22 N ATOM 391 CA ARG A 24 9.383 9.954 -0.802 1.00 0.25 C ATOM 392 C ARG A 24 9.644 10.055 0.690 1.00 0.26 C ATOM 393 O ARG A 24 10.776 10.232 1.131 1.00 0.30 O ATOM 394 CB ARG A 24 9.038 11.323 -1.353 1.00 0.32 C ATOM 395 CG ARG A 24 10.123 12.338 -1.116 1.00 0.35 C ATOM 396 CD ARG A 24 9.547 13.703 -0.791 1.00 0.69 C ATOM 397 NE ARG A 24 10.566 14.620 -0.292 1.00 0.77 N ATOM 398 CZ ARG A 24 10.297 15.805 0.263 1.00 1.12 C ATOM 399 NH1 ARG A 24 9.038 16.207 0.393 1.00 1.94 N ATOM 400 NH2 ARG A 24 11.282 16.583 0.693 1.00 1.19 N ATOM 0 H ARG A 24 7.388 9.511 -1.196 1.00 0.22 H new ATOM 0 HA ARG A 24 10.277 9.579 -1.301 1.00 0.25 H new ATOM 0 HB2 ARG A 24 8.851 11.242 -2.424 1.00 0.32 H new ATOM 0 HB3 ARG A 24 8.114 11.672 -0.893 1.00 0.32 H new ATOM 0 HG2 ARG A 24 10.760 12.006 -0.296 1.00 0.35 H new ATOM 0 HG3 ARG A 24 10.755 12.410 -2.001 1.00 0.35 H new ATOM 0 HD2 ARG A 24 9.086 14.124 -1.684 1.00 0.69 H new ATOM 0 HD3 ARG A 24 8.759 13.596 -0.046 1.00 0.69 H new ATOM 0 HE ARG A 24 11.543 14.339 -0.372 1.00 0.77 H new ATOM 0 HH11 ARG A 24 8.276 15.611 0.069 1.00 1.94 H new ATOM 0 HH12 ARG A 24 8.833 17.112 0.817 1.00 1.94 H new ATOM 0 HH21 ARG A 24 12.251 16.277 0.601 1.00 1.19 H new ATOM 0 HH22 ARG A 24 11.070 17.487 1.116 1.00 1.19 H new ATOM 414 N THR A 25 8.575 9.923 1.457 1.00 0.28 N ATOM 415 CA THR A 25 8.654 9.979 2.900 1.00 0.34 C ATOM 416 C THR A 25 9.411 8.771 3.428 1.00 0.32 C ATOM 417 O THR A 25 10.270 8.888 4.303 1.00 0.36 O ATOM 418 CB THR A 25 7.246 10.031 3.526 1.00 0.39 C ATOM 419 OG1 THR A 25 6.537 11.179 3.035 1.00 0.43 O ATOM 420 CG2 THR A 25 7.322 10.079 5.043 1.00 0.48 C ATOM 0 H THR A 25 7.633 9.775 1.095 1.00 0.28 H new ATOM 0 HA THR A 25 9.188 10.888 3.178 1.00 0.34 H new ATOM 0 HB THR A 25 6.712 9.124 3.241 1.00 0.39 H new ATOM 0 HG1 THR A 25 6.477 11.133 2.058 1.00 0.43 H new ATOM 0 HG21 THR A 25 6.314 10.115 5.457 1.00 0.48 H new ATOM 0 HG22 THR A 25 7.833 9.189 5.410 1.00 0.48 H new ATOM 0 HG23 THR A 25 7.873 10.967 5.352 1.00 0.48 H new ATOM 428 N LEU A 26 9.102 7.611 2.866 1.00 0.29 N ATOM 429 CA LEU A 26 9.787 6.384 3.239 1.00 0.32 C ATOM 430 C LEU A 26 11.054 6.224 2.410 1.00 0.30 C ATOM 431 O LEU A 26 11.875 5.346 2.673 1.00 0.38 O ATOM 432 CB LEU A 26 8.886 5.162 3.059 1.00 0.38 C ATOM 433 CG LEU A 26 7.525 5.205 3.766 1.00 0.47 C ATOM 434 CD1 LEU A 26 7.631 5.844 5.144 1.00 0.58 C ATOM 435 CD2 LEU A 26 6.490 5.914 2.920 1.00 0.56 C ATOM 0 H LEU A 26 8.383 7.495 2.152 1.00 0.29 H new ATOM 0 HA LEU A 26 10.049 6.453 4.295 1.00 0.32 H new ATOM 0 HB2 LEU A 26 8.712 5.021 1.992 1.00 0.38 H new ATOM 0 HB3 LEU A 26 9.427 4.284 3.413 1.00 0.38 H new ATOM 0 HG LEU A 26 7.198 4.174 3.904 1.00 0.47 H new ATOM 0 HD11 LEU A 26 6.648 5.858 5.615 1.00 0.58 H new ATOM 0 HD12 LEU A 26 8.321 5.268 5.760 1.00 0.58 H new ATOM 0 HD13 LEU A 26 8.000 6.865 5.044 1.00 0.58 H new ATOM 0 HD21 LEU A 26 5.536 5.928 3.448 1.00 0.56 H new ATOM 0 HD22 LEU A 26 6.815 6.937 2.729 1.00 0.56 H new ATOM 0 HD23 LEU A 26 6.372 5.388 1.972 1.00 0.56 H new ATOM 447 N GLY A 27 11.201 7.084 1.405 1.00 0.24 N ATOM 448 CA GLY A 27 12.370 7.052 0.544 1.00 0.26 C ATOM 449 C GLY A 27 12.459 5.777 -0.276 1.00 0.30 C ATOM 450 O GLY A 27 13.543 5.246 -0.507 1.00 0.42 O ATOM 0 H GLY A 27 10.523 7.809 1.171 1.00 0.24 H new ATOM 0 HA2 GLY A 27 12.345 7.910 -0.128 1.00 0.26 H new ATOM 0 HA3 GLY A 27 13.268 7.150 1.154 1.00 0.26 H new ATOM 454 N ILE A 28 11.302 5.285 -0.684 1.00 0.28 N ATOM 455 CA ILE A 28 11.200 4.159 -1.598 1.00 0.32 C ATOM 456 C ILE A 28 11.136 4.665 -3.029 1.00 0.26 C ATOM 457 O ILE A 28 11.223 5.872 -3.276 1.00 0.29 O ATOM 458 CB ILE A 28 9.934 3.320 -1.331 1.00 0.38 C ATOM 459 CG1 ILE A 28 9.091 3.955 -0.226 1.00 0.41 C ATOM 460 CG2 ILE A 28 10.314 1.894 -0.978 1.00 0.70 C ATOM 461 CD1 ILE A 28 7.669 3.457 -0.201 1.00 0.49 C ATOM 0 H ILE A 28 10.400 5.658 -0.388 1.00 0.28 H new ATOM 0 HA ILE A 28 12.079 3.534 -1.443 1.00 0.32 H new ATOM 0 HB ILE A 28 9.331 3.297 -2.239 1.00 0.38 H new ATOM 0 HG12 ILE A 28 9.557 3.753 0.739 1.00 0.41 H new ATOM 0 HG13 ILE A 28 9.088 5.037 -0.357 1.00 0.41 H new ATOM 0 HG21 ILE A 28 9.411 1.312 -0.792 1.00 0.70 H new ATOM 0 HG22 ILE A 28 10.868 1.450 -1.805 1.00 0.70 H new ATOM 0 HG23 ILE A 28 10.936 1.894 -0.083 1.00 0.70 H new ATOM 0 HD11 ILE A 28 7.126 3.948 0.607 1.00 0.49 H new ATOM 0 HD12 ILE A 28 7.187 3.683 -1.152 1.00 0.49 H new ATOM 0 HD13 ILE A 28 7.664 2.379 -0.039 1.00 0.49 H new ATOM 473 N ALA A 29 10.964 3.751 -3.964 1.00 0.23 N ATOM 474 CA ALA A 29 10.810 4.113 -5.361 1.00 0.25 C ATOM 475 C ALA A 29 9.911 3.120 -6.069 1.00 0.25 C ATOM 476 O ALA A 29 9.500 2.125 -5.486 1.00 0.28 O ATOM 477 CB ALA A 29 12.161 4.198 -6.055 1.00 0.31 C ATOM 0 H ALA A 29 10.927 2.748 -3.781 1.00 0.23 H new ATOM 0 HA ALA A 29 10.345 5.098 -5.406 1.00 0.25 H new ATOM 0 HB1 ALA A 29 12.017 4.471 -7.100 1.00 0.31 H new ATOM 0 HB2 ALA A 29 12.775 4.953 -5.564 1.00 0.31 H new ATOM 0 HB3 ALA A 29 12.661 3.231 -5.998 1.00 0.31 H new ATOM 483 N GLU A 30 9.624 3.392 -7.327 1.00 0.24 N ATOM 484 CA GLU A 30 8.737 2.556 -8.125 1.00 0.26 C ATOM 485 C GLU A 30 9.360 1.196 -8.399 1.00 0.24 C ATOM 486 O GLU A 30 8.686 0.170 -8.402 1.00 0.26 O ATOM 487 CB GLU A 30 8.450 3.270 -9.445 1.00 0.35 C ATOM 488 CG GLU A 30 9.735 3.642 -10.178 1.00 0.44 C ATOM 489 CD GLU A 30 9.515 4.340 -11.499 1.00 1.17 C ATOM 490 OE1 GLU A 30 9.437 3.646 -12.533 1.00 2.00 O ATOM 491 OE2 GLU A 30 9.470 5.587 -11.517 1.00 1.68 O ATOM 0 H GLU A 30 9.997 4.198 -7.828 1.00 0.24 H new ATOM 0 HA GLU A 30 7.812 2.392 -7.572 1.00 0.26 H new ATOM 0 HB2 GLU A 30 7.841 2.627 -10.081 1.00 0.35 H new ATOM 0 HB3 GLU A 30 7.868 4.171 -9.252 1.00 0.35 H new ATOM 0 HG2 GLU A 30 10.333 4.287 -9.534 1.00 0.44 H new ATOM 0 HG3 GLU A 30 10.316 2.736 -10.351 1.00 0.44 H new ATOM 498 N LYS A 31 10.654 1.200 -8.625 1.00 0.25 N ATOM 499 CA LYS A 31 11.383 -0.020 -8.870 1.00 0.25 C ATOM 500 C LYS A 31 11.688 -0.704 -7.554 1.00 0.23 C ATOM 501 O LYS A 31 12.240 -1.806 -7.521 1.00 0.28 O ATOM 502 CB LYS A 31 12.672 0.281 -9.618 1.00 0.30 C ATOM 503 CG LYS A 31 12.472 1.129 -10.864 1.00 0.41 C ATOM 504 CD LYS A 31 11.931 0.326 -12.041 1.00 0.50 C ATOM 505 CE LYS A 31 10.427 0.113 -11.946 1.00 0.44 C ATOM 506 NZ LYS A 31 9.877 -0.552 -13.156 1.00 0.67 N ATOM 0 H LYS A 31 11.226 2.044 -8.644 1.00 0.25 H new ATOM 0 HA LYS A 31 10.774 -0.684 -9.483 1.00 0.25 H new ATOM 0 HB2 LYS A 31 13.360 0.795 -8.946 1.00 0.30 H new ATOM 0 HB3 LYS A 31 13.145 -0.659 -9.901 1.00 0.30 H new ATOM 0 HG2 LYS A 31 11.784 1.943 -10.638 1.00 0.41 H new ATOM 0 HG3 LYS A 31 13.422 1.584 -11.145 1.00 0.41 H new ATOM 0 HD2 LYS A 31 12.165 0.844 -12.971 1.00 0.50 H new ATOM 0 HD3 LYS A 31 12.432 -0.641 -12.080 1.00 0.50 H new ATOM 0 HE2 LYS A 31 10.202 -0.491 -11.067 1.00 0.44 H new ATOM 0 HE3 LYS A 31 9.934 1.075 -11.806 1.00 0.44 H new ATOM 0 HZ1 LYS A 31 8.850 -0.677 -13.047 1.00 0.67 H new ATOM 0 HZ2 LYS A 31 10.068 0.036 -13.992 1.00 0.67 H new ATOM 0 HZ3 LYS A 31 10.328 -1.481 -13.276 1.00 0.67 H new ATOM 520 N ASP A 32 11.306 -0.047 -6.465 1.00 0.20 N ATOM 521 CA ASP A 32 11.555 -0.581 -5.149 1.00 0.19 C ATOM 522 C ASP A 32 10.473 -1.566 -4.775 1.00 0.18 C ATOM 523 O ASP A 32 9.474 -1.718 -5.483 1.00 0.25 O ATOM 524 CB ASP A 32 11.646 0.524 -4.098 1.00 0.20 C ATOM 525 CG ASP A 32 12.697 0.237 -3.038 1.00 0.64 C ATOM 526 OD1 ASP A 32 12.705 -0.879 -2.481 1.00 1.65 O ATOM 527 OD2 ASP A 32 13.526 1.130 -2.764 1.00 1.00 O ATOM 0 H ASP A 32 10.825 0.852 -6.476 1.00 0.20 H new ATOM 0 HA ASP A 32 12.517 -1.093 -5.176 1.00 0.19 H new ATOM 0 HB2 ASP A 32 11.879 1.469 -4.589 1.00 0.20 H new ATOM 0 HB3 ASP A 32 10.675 0.645 -3.618 1.00 0.20 H new ATOM 532 N ALA A 33 10.683 -2.238 -3.671 1.00 0.16 N ATOM 533 CA ALA A 33 9.733 -3.201 -3.176 1.00 0.15 C ATOM 534 C ALA A 33 9.230 -2.746 -1.825 1.00 0.17 C ATOM 535 O ALA A 33 9.880 -1.957 -1.135 1.00 0.26 O ATOM 536 CB ALA A 33 10.349 -4.594 -3.083 1.00 0.18 C ATOM 0 H ALA A 33 11.516 -2.133 -3.091 1.00 0.16 H new ATOM 0 HA ALA A 33 8.898 -3.266 -3.874 1.00 0.15 H new ATOM 0 HB1 ALA A 33 9.605 -5.296 -2.706 1.00 0.18 H new ATOM 0 HB2 ALA A 33 10.680 -4.912 -4.072 1.00 0.18 H new ATOM 0 HB3 ALA A 33 11.202 -4.570 -2.405 1.00 0.18 H new ATOM 542 N LEU A 34 8.084 -3.239 -1.455 1.00 0.14 N ATOM 543 CA LEU A 34 7.474 -2.882 -0.205 1.00 0.14 C ATOM 544 C LEU A 34 7.056 -4.139 0.498 1.00 0.13 C ATOM 545 O LEU A 34 6.374 -4.971 -0.080 1.00 0.13 O ATOM 546 CB LEU A 34 6.270 -1.986 -0.443 1.00 0.15 C ATOM 547 CG LEU A 34 6.618 -0.561 -0.869 1.00 0.15 C ATOM 548 CD1 LEU A 34 5.393 0.149 -1.419 1.00 0.22 C ATOM 549 CD2 LEU A 34 7.174 0.202 0.317 1.00 0.27 C ATOM 0 H LEU A 34 7.544 -3.901 -2.012 1.00 0.14 H new ATOM 0 HA LEU A 34 8.187 -2.334 0.411 1.00 0.14 H new ATOM 0 HB2 LEU A 34 5.642 -2.438 -1.210 1.00 0.15 H new ATOM 0 HB3 LEU A 34 5.677 -1.944 0.471 1.00 0.15 H new ATOM 0 HG LEU A 34 7.370 -0.604 -1.657 1.00 0.15 H new ATOM 0 HD11 LEU A 34 5.663 1.162 -1.717 1.00 0.22 H new ATOM 0 HD12 LEU A 34 5.015 -0.395 -2.285 1.00 0.22 H new ATOM 0 HD13 LEU A 34 4.621 0.190 -0.651 1.00 0.22 H new ATOM 0 HD21 LEU A 34 7.422 1.219 0.012 1.00 0.27 H new ATOM 0 HD22 LEU A 34 6.428 0.233 1.111 1.00 0.27 H new ATOM 0 HD23 LEU A 34 8.072 -0.297 0.682 1.00 0.27 H new ATOM 561 N GLU A 35 7.468 -4.273 1.731 1.00 0.15 N ATOM 562 CA GLU A 35 7.199 -5.454 2.488 1.00 0.15 C ATOM 563 C GLU A 35 5.873 -5.284 3.200 1.00 0.13 C ATOM 564 O GLU A 35 5.789 -4.644 4.253 1.00 0.14 O ATOM 565 CB GLU A 35 8.336 -5.702 3.464 1.00 0.21 C ATOM 566 CG GLU A 35 8.334 -7.104 4.014 1.00 0.27 C ATOM 567 CD GLU A 35 9.527 -7.376 4.903 1.00 0.42 C ATOM 568 OE1 GLU A 35 9.555 -6.867 6.046 1.00 1.11 O ATOM 569 OE2 GLU A 35 10.455 -8.083 4.459 1.00 1.06 O ATOM 0 H GLU A 35 8.000 -3.562 2.234 1.00 0.15 H new ATOM 0 HA GLU A 35 7.130 -6.324 1.835 1.00 0.15 H new ATOM 0 HB2 GLU A 35 9.286 -5.513 2.964 1.00 0.21 H new ATOM 0 HB3 GLU A 35 8.263 -4.993 4.288 1.00 0.21 H new ATOM 0 HG2 GLU A 35 7.417 -7.268 4.580 1.00 0.27 H new ATOM 0 HG3 GLU A 35 8.330 -7.815 3.188 1.00 0.27 H new ATOM 576 N ILE A 36 4.838 -5.816 2.579 1.00 0.11 N ATOM 577 CA ILE A 36 3.479 -5.601 3.036 1.00 0.10 C ATOM 578 C ILE A 36 3.016 -6.661 4.040 1.00 0.10 C ATOM 579 O ILE A 36 3.238 -7.864 3.870 1.00 0.11 O ATOM 580 CB ILE A 36 2.504 -5.571 1.851 1.00 0.10 C ATOM 581 CG1 ILE A 36 2.864 -4.442 0.888 1.00 0.12 C ATOM 582 CG2 ILE A 36 1.071 -5.429 2.337 1.00 0.11 C ATOM 583 CD1 ILE A 36 3.369 -4.936 -0.447 1.00 0.11 C ATOM 0 H ILE A 36 4.914 -6.405 1.750 1.00 0.11 H new ATOM 0 HA ILE A 36 3.479 -4.636 3.543 1.00 0.10 H new ATOM 0 HB ILE A 36 2.588 -6.516 1.315 1.00 0.10 H new ATOM 0 HG12 ILE A 36 1.986 -3.816 0.728 1.00 0.12 H new ATOM 0 HG13 ILE A 36 3.626 -3.811 1.346 1.00 0.12 H new ATOM 0 HG21 ILE A 36 0.397 -5.410 1.481 1.00 0.11 H new ATOM 0 HG22 ILE A 36 0.819 -6.273 2.979 1.00 0.11 H new ATOM 0 HG23 ILE A 36 0.968 -4.502 2.901 1.00 0.11 H new ATOM 0 HD11 ILE A 36 3.607 -4.084 -1.084 1.00 0.11 H new ATOM 0 HD12 ILE A 36 4.265 -5.538 -0.297 1.00 0.11 H new ATOM 0 HD13 ILE A 36 2.600 -5.543 -0.925 1.00 0.11 H new ATOM 595 N TYR A 37 2.359 -6.176 5.077 1.00 0.11 N ATOM 596 CA TYR A 37 1.760 -6.992 6.122 1.00 0.14 C ATOM 597 C TYR A 37 0.345 -6.478 6.348 1.00 0.14 C ATOM 598 O TYR A 37 -0.087 -5.576 5.642 1.00 0.13 O ATOM 599 CB TYR A 37 2.551 -6.901 7.437 1.00 0.20 C ATOM 600 CG TYR A 37 3.981 -7.387 7.375 1.00 0.40 C ATOM 601 CD1 TYR A 37 4.949 -6.687 6.670 1.00 1.39 C ATOM 602 CD2 TYR A 37 4.363 -8.543 8.042 1.00 1.18 C ATOM 603 CE1 TYR A 37 6.254 -7.128 6.624 1.00 1.54 C ATOM 604 CE2 TYR A 37 5.668 -8.990 8.002 1.00 1.25 C ATOM 605 CZ TYR A 37 6.611 -8.279 7.290 1.00 0.87 C ATOM 606 OH TYR A 37 7.912 -8.720 7.242 1.00 1.11 O ATOM 0 H TYR A 37 2.222 -5.176 5.222 1.00 0.11 H new ATOM 0 HA TYR A 37 1.764 -8.037 5.811 1.00 0.14 H new ATOM 0 HB2 TYR A 37 2.553 -5.862 7.767 1.00 0.20 H new ATOM 0 HB3 TYR A 37 2.023 -7.476 8.198 1.00 0.20 H new ATOM 0 HD1 TYR A 37 4.676 -5.782 6.149 1.00 1.39 H new ATOM 0 HD2 TYR A 37 3.627 -9.102 8.601 1.00 1.18 H new ATOM 0 HE1 TYR A 37 6.994 -6.573 6.067 1.00 1.54 H new ATOM 0 HE2 TYR A 37 5.949 -9.892 8.525 1.00 1.25 H new ATOM 0 HH TYR A 37 8.509 -7.960 7.081 1.00 1.11 H new ATOM 616 N VAL A 38 -0.380 -7.056 7.294 1.00 0.16 N ATOM 617 CA VAL A 38 -1.718 -6.575 7.635 1.00 0.17 C ATOM 618 C VAL A 38 -2.020 -6.783 9.117 1.00 0.20 C ATOM 619 O VAL A 38 -1.875 -7.879 9.659 1.00 0.26 O ATOM 620 CB VAL A 38 -2.833 -7.240 6.783 1.00 0.18 C ATOM 621 CG1 VAL A 38 -4.191 -7.118 7.467 1.00 0.21 C ATOM 622 CG2 VAL A 38 -2.899 -6.635 5.387 1.00 0.21 C ATOM 0 H VAL A 38 -0.068 -7.858 7.841 1.00 0.16 H new ATOM 0 HA VAL A 38 -1.717 -5.509 7.410 1.00 0.17 H new ATOM 0 HB VAL A 38 -2.582 -8.296 6.689 1.00 0.18 H new ATOM 0 HG11 VAL A 38 -4.954 -7.592 6.849 1.00 0.21 H new ATOM 0 HG12 VAL A 38 -4.154 -7.610 8.439 1.00 0.21 H new ATOM 0 HG13 VAL A 38 -4.437 -6.065 7.603 1.00 0.21 H new ATOM 0 HG21 VAL A 38 -3.689 -7.122 4.816 1.00 0.21 H new ATOM 0 HG22 VAL A 38 -3.111 -5.568 5.462 1.00 0.21 H new ATOM 0 HG23 VAL A 38 -1.944 -6.781 4.882 1.00 0.21 H new ATOM 632 N ASP A 39 -2.474 -5.713 9.743 1.00 0.20 N ATOM 633 CA ASP A 39 -2.855 -5.718 11.142 1.00 0.23 C ATOM 634 C ASP A 39 -4.337 -6.013 11.241 1.00 0.28 C ATOM 635 O ASP A 39 -5.164 -5.099 11.202 1.00 0.35 O ATOM 636 CB ASP A 39 -2.516 -4.365 11.790 1.00 0.37 C ATOM 637 CG ASP A 39 -3.014 -4.238 13.219 1.00 0.98 C ATOM 638 OD1 ASP A 39 -2.321 -4.716 14.139 1.00 1.74 O ATOM 639 OD2 ASP A 39 -4.086 -3.629 13.425 1.00 1.60 O ATOM 0 H ASP A 39 -2.590 -4.807 9.289 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.300 -6.489 11.677 1.00 0.23 H new ATOM 0 HB2 ASP A 39 -1.435 -4.225 11.776 1.00 0.37 H new ATOM 0 HB3 ASP A 39 -2.949 -3.565 11.190 1.00 0.37 H new ATOM 644 N ASP A 40 -4.645 -7.311 11.281 1.00 0.42 N ATOM 645 CA ASP A 40 -6.013 -7.831 11.339 1.00 0.57 C ATOM 646 C ASP A 40 -6.839 -7.435 10.115 1.00 0.48 C ATOM 647 O ASP A 40 -7.203 -8.277 9.297 1.00 0.58 O ATOM 648 CB ASP A 40 -6.724 -7.370 12.608 1.00 0.73 C ATOM 649 CG ASP A 40 -8.109 -7.977 12.732 1.00 1.26 C ATOM 650 OD1 ASP A 40 -8.215 -9.219 12.802 1.00 1.73 O ATOM 651 OD2 ASP A 40 -9.099 -7.218 12.743 1.00 2.01 O ATOM 0 H ASP A 40 -3.936 -8.045 11.274 1.00 0.42 H new ATOM 0 HA ASP A 40 -5.927 -8.918 11.349 1.00 0.57 H new ATOM 0 HB2 ASP A 40 -6.128 -7.644 13.478 1.00 0.73 H new ATOM 0 HB3 ASP A 40 -6.803 -6.283 12.606 1.00 0.73 H new ATOM 656 N GLU A 41 -7.114 -6.148 10.002 1.00 0.41 N ATOM 657 CA GLU A 41 -8.011 -5.620 8.991 1.00 0.45 C ATOM 658 C GLU A 41 -7.316 -4.607 8.086 1.00 0.37 C ATOM 659 O GLU A 41 -7.883 -4.184 7.077 1.00 0.44 O ATOM 660 CB GLU A 41 -9.188 -4.953 9.691 1.00 0.65 C ATOM 661 CG GLU A 41 -8.756 -4.080 10.855 1.00 0.76 C ATOM 662 CD GLU A 41 -9.915 -3.380 11.525 1.00 1.05 C ATOM 663 OE1 GLU A 41 -10.703 -4.056 12.217 1.00 1.67 O ATOM 664 OE2 GLU A 41 -10.030 -2.148 11.385 1.00 1.40 O ATOM 0 H GLU A 41 -6.718 -5.435 10.614 1.00 0.41 H new ATOM 0 HA GLU A 41 -8.347 -6.444 8.362 1.00 0.45 H new ATOM 0 HB2 GLU A 41 -9.738 -4.347 8.971 1.00 0.65 H new ATOM 0 HB3 GLU A 41 -9.874 -5.720 10.052 1.00 0.65 H new ATOM 0 HG2 GLU A 41 -8.235 -4.694 11.590 1.00 0.76 H new ATOM 0 HG3 GLU A 41 -8.044 -3.335 10.500 1.00 0.76 H new ATOM 671 N LYS A 42 -6.097 -4.203 8.431 1.00 0.27 N ATOM 672 CA LYS A 42 -5.464 -3.129 7.684 1.00 0.25 C ATOM 673 C LYS A 42 -4.079 -3.471 7.182 1.00 0.19 C ATOM 674 O LYS A 42 -3.372 -4.269 7.761 1.00 0.19 O ATOM 675 CB LYS A 42 -5.427 -1.854 8.514 1.00 0.30 C ATOM 676 CG LYS A 42 -4.499 -1.927 9.710 1.00 0.32 C ATOM 677 CD LYS A 42 -4.261 -0.550 10.299 1.00 0.50 C ATOM 678 CE LYS A 42 -3.246 -0.597 11.425 1.00 0.40 C ATOM 679 NZ LYS A 42 -3.840 -1.068 12.706 1.00 0.75 N ATOM 0 H LYS A 42 -5.545 -4.589 9.197 1.00 0.27 H new ATOM 0 HA LYS A 42 -6.079 -2.974 6.797 1.00 0.25 H new ATOM 0 HB2 LYS A 42 -5.118 -1.026 7.876 1.00 0.30 H new ATOM 0 HB3 LYS A 42 -6.435 -1.629 8.862 1.00 0.30 H new ATOM 0 HG2 LYS A 42 -4.929 -2.581 10.468 1.00 0.32 H new ATOM 0 HG3 LYS A 42 -3.548 -2.367 9.410 1.00 0.32 H new ATOM 0 HD2 LYS A 42 -3.910 0.125 9.519 1.00 0.50 H new ATOM 0 HD3 LYS A 42 -5.202 -0.145 10.672 1.00 0.50 H new ATOM 0 HE2 LYS A 42 -2.426 -1.257 11.144 1.00 0.40 H new ATOM 0 HE3 LYS A 42 -2.821 0.396 11.569 1.00 0.40 H new ATOM 0 HZ1 LYS A 42 -3.159 -0.923 13.478 1.00 0.75 H new ATOM 0 HZ2 LYS A 42 -4.708 -0.531 12.905 1.00 0.75 H new ATOM 0 HZ3 LYS A 42 -4.069 -2.080 12.631 1.00 0.75 H new ATOM 693 N ILE A 43 -3.699 -2.792 6.119 1.00 0.15 N ATOM 694 CA ILE A 43 -2.503 -3.102 5.357 1.00 0.12 C ATOM 695 C ILE A 43 -1.309 -2.299 5.866 1.00 0.11 C ATOM 696 O ILE A 43 -1.436 -1.123 6.194 1.00 0.12 O ATOM 697 CB ILE A 43 -2.746 -2.769 3.875 1.00 0.10 C ATOM 698 CG1 ILE A 43 -4.080 -3.358 3.418 1.00 0.14 C ATOM 699 CG2 ILE A 43 -1.621 -3.298 3.012 1.00 0.10 C ATOM 700 CD1 ILE A 43 -4.549 -2.836 2.078 1.00 0.16 C ATOM 0 H ILE A 43 -4.220 -1.995 5.753 1.00 0.15 H new ATOM 0 HA ILE A 43 -2.282 -4.163 5.473 1.00 0.12 H new ATOM 0 HB ILE A 43 -2.778 -1.685 3.768 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -3.988 -4.443 3.363 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -4.839 -3.140 4.169 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.816 -3.050 1.969 1.00 0.10 H new ATOM 0 HG22 ILE A 43 -0.680 -2.845 3.323 1.00 0.10 H new ATOM 0 HG23 ILE A 43 -1.556 -4.381 3.122 1.00 0.10 H new ATOM 0 HD11 ILE A 43 -5.502 -3.299 1.820 1.00 0.16 H new ATOM 0 HD12 ILE A 43 -4.674 -1.755 2.132 1.00 0.16 H new ATOM 0 HD13 ILE A 43 -3.810 -3.078 1.314 1.00 0.16 H new ATOM 712 N ILE A 44 -0.158 -2.945 5.944 1.00 0.12 N ATOM 713 CA ILE A 44 1.051 -2.318 6.469 1.00 0.12 C ATOM 714 C ILE A 44 2.170 -2.414 5.445 1.00 0.11 C ATOM 715 O ILE A 44 2.736 -3.485 5.240 1.00 0.11 O ATOM 716 CB ILE A 44 1.558 -2.985 7.775 1.00 0.15 C ATOM 717 CG1 ILE A 44 0.465 -3.815 8.461 1.00 0.16 C ATOM 718 CG2 ILE A 44 2.101 -1.929 8.727 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.700 -3.016 8.998 1.00 0.18 C ATOM 0 H ILE A 44 -0.032 -3.913 5.648 1.00 0.12 H new ATOM 0 HA ILE A 44 0.788 -1.282 6.684 1.00 0.12 H new ATOM 0 HB ILE A 44 2.361 -3.671 7.503 1.00 0.15 H new ATOM 0 HG12 ILE A 44 0.086 -4.548 7.749 1.00 0.16 H new ATOM 0 HG13 ILE A 44 0.915 -4.372 9.283 1.00 0.16 H new ATOM 0 HG21 ILE A 44 2.454 -2.409 9.640 1.00 0.19 H new ATOM 0 HG22 ILE A 44 2.928 -1.401 8.252 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.311 -1.219 8.972 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.419 -3.690 9.464 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.340 -2.301 9.738 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.182 -2.481 8.180 1.00 0.18 H new ATOM 731 N LEU A 45 2.486 -1.311 4.795 1.00 0.11 N ATOM 732 CA LEU A 45 3.557 -1.302 3.817 1.00 0.10 C ATOM 733 C LEU A 45 4.844 -0.784 4.434 1.00 0.11 C ATOM 734 O LEU A 45 4.969 0.395 4.748 1.00 0.13 O ATOM 735 CB LEU A 45 3.197 -0.435 2.600 1.00 0.10 C ATOM 736 CG LEU A 45 2.369 -1.126 1.514 1.00 0.09 C ATOM 737 CD1 LEU A 45 0.996 -1.504 2.034 1.00 0.09 C ATOM 738 CD2 LEU A 45 2.244 -0.223 0.295 1.00 0.10 C ATOM 0 H LEU A 45 2.019 -0.413 4.925 1.00 0.11 H new ATOM 0 HA LEU A 45 3.700 -2.331 3.486 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.647 0.439 2.950 1.00 0.10 H new ATOM 0 HB3 LEU A 45 4.121 -0.071 2.150 1.00 0.10 H new ATOM 0 HG LEU A 45 2.884 -2.042 1.224 1.00 0.09 H new ATOM 0 HD11 LEU A 45 0.429 -1.993 1.242 1.00 0.09 H new ATOM 0 HD12 LEU A 45 1.102 -2.185 2.878 1.00 0.09 H new ATOM 0 HD13 LEU A 45 0.469 -0.606 2.356 1.00 0.09 H new ATOM 0 HD21 LEU A 45 1.653 -0.725 -0.471 1.00 0.10 H new ATOM 0 HD22 LEU A 45 1.753 0.707 0.580 1.00 0.10 H new ATOM 0 HD23 LEU A 45 3.237 -0.004 -0.099 1.00 0.10 H new ATOM 750 N LYS A 46 5.792 -1.670 4.626 1.00 0.12 N ATOM 751 CA LYS A 46 7.135 -1.255 4.968 1.00 0.14 C ATOM 752 C LYS A 46 7.939 -1.262 3.698 1.00 0.19 C ATOM 753 O LYS A 46 7.559 -1.919 2.742 1.00 0.45 O ATOM 754 CB LYS A 46 7.764 -2.193 6.001 1.00 0.29 C ATOM 755 CG LYS A 46 7.025 -2.247 7.325 1.00 0.89 C ATOM 756 CD LYS A 46 7.838 -2.973 8.383 1.00 0.95 C ATOM 757 CE LYS A 46 8.160 -4.397 7.959 1.00 1.75 C ATOM 758 NZ LYS A 46 9.470 -4.495 7.255 1.00 2.11 N ATOM 0 H LYS A 46 5.661 -2.679 4.552 1.00 0.12 H new ATOM 0 HA LYS A 46 7.116 -0.261 5.415 1.00 0.14 H new ATOM 0 HB2 LYS A 46 7.809 -3.198 5.582 1.00 0.29 H new ATOM 0 HB3 LYS A 46 8.791 -1.877 6.184 1.00 0.29 H new ATOM 0 HG2 LYS A 46 6.806 -1.234 7.663 1.00 0.89 H new ATOM 0 HG3 LYS A 46 6.068 -2.751 7.189 1.00 0.89 H new ATOM 0 HD2 LYS A 46 8.764 -2.429 8.568 1.00 0.95 H new ATOM 0 HD3 LYS A 46 7.284 -2.988 9.322 1.00 0.95 H new ATOM 0 HE2 LYS A 46 8.173 -5.041 8.838 1.00 1.75 H new ATOM 0 HE3 LYS A 46 7.370 -4.766 7.305 1.00 1.75 H new ATOM 0 HZ1 LYS A 46 9.379 -5.133 6.439 1.00 2.11 H new ATOM 0 HZ2 LYS A 46 9.759 -3.552 6.927 1.00 2.11 H new ATOM 0 HZ3 LYS A 46 10.188 -4.869 7.908 1.00 2.11 H new ATOM 772 N LYS A 47 9.009 -0.518 3.650 1.00 0.19 N ATOM 773 CA LYS A 47 9.867 -0.581 2.487 1.00 0.25 C ATOM 774 C LYS A 47 10.675 -1.867 2.556 1.00 0.24 C ATOM 775 O LYS A 47 10.967 -2.359 3.648 1.00 0.28 O ATOM 776 CB LYS A 47 10.799 0.631 2.407 1.00 0.38 C ATOM 777 CG LYS A 47 11.945 0.599 3.401 1.00 0.48 C ATOM 778 CD LYS A 47 13.021 1.581 3.001 1.00 0.83 C ATOM 779 CE LYS A 47 13.573 1.238 1.630 1.00 1.57 C ATOM 780 NZ LYS A 47 14.786 2.029 1.291 1.00 2.48 N ATOM 0 H LYS A 47 9.308 0.127 4.381 1.00 0.19 H new ATOM 0 HA LYS A 47 9.250 -0.569 1.588 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.209 0.695 1.399 1.00 0.38 H new ATOM 0 HB3 LYS A 47 10.215 1.536 2.572 1.00 0.38 H new ATOM 0 HG2 LYS A 47 11.576 0.841 4.398 1.00 0.48 H new ATOM 0 HG3 LYS A 47 12.363 -0.407 3.451 1.00 0.48 H new ATOM 0 HD2 LYS A 47 12.614 2.592 2.993 1.00 0.83 H new ATOM 0 HD3 LYS A 47 13.825 1.568 3.737 1.00 0.83 H new ATOM 0 HE2 LYS A 47 13.814 0.176 1.594 1.00 1.57 H new ATOM 0 HE3 LYS A 47 12.805 1.416 0.877 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 15.124 1.758 0.346 1.00 2.48 H new ATOM 0 HZ2 LYS A 47 14.553 3.042 1.298 1.00 2.48 H new ATOM 0 HZ3 LYS A 47 15.531 1.840 1.992 1.00 2.48 H new ATOM 794 N TYR A 48 10.999 -2.435 1.410 1.00 0.26 N ATOM 795 CA TYR A 48 11.790 -3.646 1.381 1.00 0.33 C ATOM 796 C TYR A 48 13.173 -3.378 1.940 1.00 0.48 C ATOM 797 O TYR A 48 13.722 -2.287 1.771 1.00 0.58 O ATOM 798 CB TYR A 48 11.878 -4.182 -0.044 1.00 0.35 C ATOM 799 CG TYR A 48 12.712 -5.434 -0.204 1.00 0.88 C ATOM 800 CD1 TYR A 48 12.282 -6.647 0.311 1.00 1.68 C ATOM 801 CD2 TYR A 48 13.928 -5.403 -0.879 1.00 1.81 C ATOM 802 CE1 TYR A 48 13.034 -7.794 0.158 1.00 2.32 C ATOM 803 CE2 TYR A 48 14.687 -6.546 -1.037 1.00 2.49 C ATOM 804 CZ TYR A 48 14.237 -7.739 -0.511 1.00 2.51 C ATOM 805 OH TYR A 48 14.984 -8.884 -0.668 1.00 3.33 O ATOM 0 H TYR A 48 10.728 -2.079 0.494 1.00 0.26 H new ATOM 0 HA TYR A 48 11.308 -4.401 2.002 1.00 0.33 H new ATOM 0 HB2 TYR A 48 10.869 -4.387 -0.402 1.00 0.35 H new ATOM 0 HB3 TYR A 48 12.292 -3.403 -0.685 1.00 0.35 H new ATOM 0 HD1 TYR A 48 11.342 -6.695 0.841 1.00 1.68 H new ATOM 0 HD2 TYR A 48 14.285 -4.469 -1.287 1.00 1.81 H new ATOM 0 HE1 TYR A 48 12.681 -8.731 0.561 1.00 2.32 H new ATOM 0 HE2 TYR A 48 15.626 -6.506 -1.569 1.00 2.49 H new ATOM 0 HH TYR A 48 15.804 -8.675 -1.163 1.00 3.33 H new ATOM 815 N LYS A 49 13.716 -4.366 2.624 1.00 0.58 N ATOM 816 CA LYS A 49 15.032 -4.237 3.219 1.00 0.74 C ATOM 817 C LYS A 49 16.081 -4.180 2.124 1.00 0.75 C ATOM 818 O LYS A 49 16.276 -5.154 1.396 1.00 0.71 O ATOM 819 CB LYS A 49 15.323 -5.406 4.154 1.00 0.86 C ATOM 820 CG LYS A 49 16.365 -5.088 5.215 1.00 1.22 C ATOM 821 CD LYS A 49 15.929 -3.923 6.086 1.00 1.20 C ATOM 822 CE LYS A 49 14.678 -4.280 6.867 1.00 1.45 C ATOM 823 NZ LYS A 49 14.127 -3.119 7.611 1.00 1.88 N ATOM 0 H LYS A 49 13.266 -5.268 2.782 1.00 0.58 H new ATOM 0 HA LYS A 49 15.061 -3.317 3.803 1.00 0.74 H new ATOM 0 HB2 LYS A 49 14.397 -5.708 4.644 1.00 0.86 H new ATOM 0 HB3 LYS A 49 15.664 -6.257 3.564 1.00 0.86 H new ATOM 0 HG2 LYS A 49 16.533 -5.967 5.837 1.00 1.22 H new ATOM 0 HG3 LYS A 49 17.315 -4.851 4.735 1.00 1.22 H new ATOM 0 HD2 LYS A 49 16.731 -3.657 6.775 1.00 1.20 H new ATOM 0 HD3 LYS A 49 15.739 -3.048 5.464 1.00 1.20 H new ATOM 0 HE2 LYS A 49 13.921 -4.662 6.182 1.00 1.45 H new ATOM 0 HE3 LYS A 49 14.907 -5.082 7.568 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 13.274 -3.412 8.129 1.00 1.88 H new ATOM 0 HZ2 LYS A 49 14.838 -2.769 8.285 1.00 1.88 H new ATOM 0 HZ3 LYS A 49 13.883 -2.362 6.941 1.00 1.88 H new ATOM 837 N PRO A 50 16.779 -3.041 2.005 1.00 0.87 N ATOM 838 CA PRO A 50 17.744 -2.808 0.928 1.00 0.96 C ATOM 839 C PRO A 50 19.055 -3.557 1.144 1.00 1.09 C ATOM 840 O PRO A 50 20.143 -3.035 0.890 1.00 1.22 O ATOM 841 CB PRO A 50 17.961 -1.299 0.992 1.00 1.06 C ATOM 842 CG PRO A 50 17.757 -0.958 2.424 1.00 1.13 C ATOM 843 CD PRO A 50 16.681 -1.884 2.916 1.00 0.96 C ATOM 0 HA PRO A 50 17.384 -3.164 -0.037 1.00 0.96 H new ATOM 0 HB2 PRO A 50 18.962 -1.027 0.657 1.00 1.06 H new ATOM 0 HB3 PRO A 50 17.256 -0.768 0.353 1.00 1.06 H new ATOM 0 HG2 PRO A 50 18.677 -1.091 2.993 1.00 1.13 H new ATOM 0 HG3 PRO A 50 17.459 0.084 2.539 1.00 1.13 H new ATOM 0 HD2 PRO A 50 16.845 -2.175 3.953 1.00 0.96 H new ATOM 0 HD3 PRO A 50 15.697 -1.417 2.868 1.00 0.96 H new ATOM 851 N ASN A 51 18.931 -4.790 1.599 1.00 1.12 N ATOM 852 CA ASN A 51 20.065 -5.665 1.817 1.00 1.24 C ATOM 853 C ASN A 51 20.467 -6.327 0.509 1.00 1.21 C ATOM 854 O ASN A 51 19.859 -7.309 0.077 1.00 1.24 O ATOM 855 CB ASN A 51 19.709 -6.716 2.866 1.00 1.40 C ATOM 856 CG ASN A 51 20.756 -7.801 3.014 1.00 1.53 C ATOM 857 OD1 ASN A 51 21.952 -7.565 2.845 1.00 1.65 O ATOM 858 ND2 ASN A 51 20.306 -9.005 3.330 1.00 2.14 N ATOM 0 H ASN A 51 18.033 -5.215 1.829 1.00 1.12 H new ATOM 0 HA ASN A 51 20.910 -5.080 2.181 1.00 1.24 H new ATOM 0 HB2 ASN A 51 19.568 -6.224 3.828 1.00 1.40 H new ATOM 0 HB3 ASN A 51 18.757 -7.175 2.600 1.00 1.40 H new ATOM 0 HD21 ASN A 51 20.959 -9.780 3.442 1.00 2.14 H new ATOM 0 HD22 ASN A 51 19.306 -9.157 3.461 1.00 2.14 H new ATOM 865 N MET A 52 21.460 -5.754 -0.141 1.00 1.38 N ATOM 866 CA MET A 52 21.961 -6.303 -1.384 1.00 1.59 C ATOM 867 C MET A 52 23.344 -6.888 -1.171 1.00 1.88 C ATOM 868 O MET A 52 24.279 -6.188 -0.773 1.00 2.13 O ATOM 869 CB MET A 52 21.970 -5.240 -2.491 1.00 1.89 C ATOM 870 CG MET A 52 22.703 -3.957 -2.129 1.00 2.34 C ATOM 871 SD MET A 52 22.610 -2.716 -3.436 1.00 2.79 S ATOM 872 CE MET A 52 23.559 -1.385 -2.703 1.00 3.15 C ATOM 0 H MET A 52 21.936 -4.908 0.172 1.00 1.38 H new ATOM 0 HA MET A 52 21.295 -7.103 -1.707 1.00 1.59 H new ATOM 0 HB2 MET A 52 22.429 -5.666 -3.383 1.00 1.89 H new ATOM 0 HB3 MET A 52 20.940 -4.994 -2.749 1.00 1.89 H new ATOM 0 HG2 MET A 52 22.280 -3.547 -1.212 1.00 2.34 H new ATOM 0 HG3 MET A 52 23.749 -4.185 -1.923 1.00 2.34 H new ATOM 0 HE1 MET A 52 23.594 -0.541 -3.392 1.00 3.15 H new ATOM 0 HE2 MET A 52 23.088 -1.073 -1.771 1.00 3.15 H new ATOM 0 HE3 MET A 52 24.573 -1.730 -2.500 1.00 3.15 H new ATOM 882 N THR A 53 23.455 -8.183 -1.391 1.00 1.99 N ATOM 883 CA THR A 53 24.708 -8.877 -1.202 1.00 2.37 C ATOM 884 C THR A 53 25.466 -8.962 -2.522 1.00 2.75 C ATOM 885 O THR A 53 26.416 -8.176 -2.714 1.00 2.86 O ATOM 886 CB THR A 53 24.478 -10.292 -0.635 1.00 2.55 C ATOM 887 OG1 THR A 53 23.640 -10.216 0.528 1.00 2.61 O ATOM 888 CG2 THR A 53 25.798 -10.951 -0.268 1.00 2.65 C ATOM 889 OXT THR A 53 25.082 -9.786 -3.379 1.00 3.35 O ATOM 0 H THR A 53 22.686 -8.777 -1.703 1.00 1.99 H new ATOM 0 HA THR A 53 25.302 -8.313 -0.483 1.00 2.37 H new ATOM 0 HB THR A 53 23.992 -10.895 -1.402 1.00 2.55 H new ATOM 0 HG1 THR A 53 23.494 -11.117 0.885 1.00 2.61 H new ATOM 0 HG21 THR A 53 25.609 -11.948 0.130 1.00 2.65 H new ATOM 0 HG22 THR A 53 26.426 -11.027 -1.156 1.00 2.65 H new ATOM 0 HG23 THR A 53 26.307 -10.351 0.486 1.00 2.65 H new TER 897 THR A 53 ATOM 898 N MET B 1 -5.870 -15.779 6.462 1.00 1.63 N ATOM 899 CA MET B 1 -5.453 -14.628 5.634 1.00 0.89 C ATOM 900 C MET B 1 -5.446 -13.336 6.444 1.00 0.88 C ATOM 901 O MET B 1 -6.438 -12.976 7.083 1.00 1.78 O ATOM 902 CB MET B 1 -6.361 -14.477 4.403 1.00 1.31 C ATOM 903 CG MET B 1 -7.833 -14.279 4.729 1.00 1.83 C ATOM 904 SD MET B 1 -8.845 -14.065 3.249 1.00 2.73 S ATOM 905 CE MET B 1 -10.467 -13.829 3.974 1.00 3.60 C ATOM 0 H1 MET B 1 -5.947 -16.627 5.865 1.00 1.63 H new ATOM 0 H2 MET B 1 -5.164 -15.944 7.208 1.00 1.63 H new ATOM 0 H3 MET B 1 -6.793 -15.577 6.897 1.00 1.63 H new ATOM 0 HA MET B 1 -4.436 -14.823 5.294 1.00 0.89 H new ATOM 0 HB2 MET B 1 -6.015 -13.628 3.813 1.00 1.31 H new ATOM 0 HB3 MET B 1 -6.256 -15.364 3.778 1.00 1.31 H new ATOM 0 HG2 MET B 1 -8.196 -15.139 5.293 1.00 1.83 H new ATOM 0 HG3 MET B 1 -7.945 -13.406 5.372 1.00 1.83 H new ATOM 0 HE1 MET B 1 -11.202 -13.683 3.182 1.00 3.60 H new ATOM 0 HE2 MET B 1 -10.735 -14.708 4.560 1.00 3.60 H new ATOM 0 HE3 MET B 1 -10.452 -12.952 4.621 1.00 3.60 H new ATOM 917 N LYS B 2 -4.302 -12.667 6.429 1.00 0.64 N ATOM 918 CA LYS B 2 -4.134 -11.350 7.033 1.00 0.42 C ATOM 919 C LYS B 2 -2.790 -10.770 6.593 1.00 0.35 C ATOM 920 O LYS B 2 -2.551 -10.590 5.402 1.00 0.49 O ATOM 921 CB LYS B 2 -4.231 -11.412 8.571 1.00 0.56 C ATOM 922 CG LYS B 2 -3.294 -12.424 9.224 1.00 1.31 C ATOM 923 CD LYS B 2 -3.096 -12.127 10.700 1.00 1.49 C ATOM 924 CE LYS B 2 -2.427 -10.774 10.900 1.00 1.25 C ATOM 925 NZ LYS B 2 -2.094 -10.514 12.324 1.00 2.04 N ATOM 0 H LYS B 2 -3.453 -13.027 5.992 1.00 0.64 H new ATOM 0 HA LYS B 2 -4.941 -10.701 6.693 1.00 0.42 H new ATOM 0 HB2 LYS B 2 -4.016 -10.423 8.976 1.00 0.56 H new ATOM 0 HB3 LYS B 2 -5.257 -11.654 8.848 1.00 0.56 H new ATOM 0 HG2 LYS B 2 -3.701 -13.428 9.105 1.00 1.31 H new ATOM 0 HG3 LYS B 2 -2.330 -12.409 8.716 1.00 1.31 H new ATOM 0 HD2 LYS B 2 -4.060 -12.139 11.209 1.00 1.49 H new ATOM 0 HD3 LYS B 2 -2.486 -12.909 11.153 1.00 1.49 H new ATOM 0 HE2 LYS B 2 -1.516 -10.730 10.302 1.00 1.25 H new ATOM 0 HE3 LYS B 2 -3.087 -9.987 10.534 1.00 1.25 H new ATOM 0 HZ1 LYS B 2 -1.641 -9.582 12.410 1.00 2.04 H new ATOM 0 HZ2 LYS B 2 -2.965 -10.529 12.893 1.00 2.04 H new ATOM 0 HZ3 LYS B 2 -1.443 -11.248 12.668 1.00 2.04 H new ATOM 939 N SER B 3 -1.919 -10.478 7.552 1.00 0.29 N ATOM 940 CA SER B 3 -0.546 -10.134 7.270 1.00 0.22 C ATOM 941 C SER B 3 0.124 -11.261 6.529 1.00 0.24 C ATOM 942 O SER B 3 0.038 -12.426 6.920 1.00 0.40 O ATOM 943 CB SER B 3 0.181 -9.868 8.585 1.00 0.28 C ATOM 944 OG SER B 3 0.229 -11.031 9.396 1.00 1.17 O ATOM 0 H SER B 3 -2.153 -10.475 8.545 1.00 0.29 H new ATOM 0 HA SER B 3 -0.513 -9.240 6.648 1.00 0.22 H new ATOM 0 HB2 SER B 3 1.195 -9.525 8.379 1.00 0.28 H new ATOM 0 HB3 SER B 3 -0.323 -9.067 9.125 1.00 0.28 H new ATOM 0 HG SER B 3 0.211 -11.828 8.826 1.00 1.17 H new ATOM 950 N THR B 4 0.764 -10.916 5.446 1.00 0.20 N ATOM 951 CA THR B 4 1.452 -11.898 4.666 1.00 0.22 C ATOM 952 C THR B 4 2.947 -11.832 4.916 1.00 0.23 C ATOM 953 O THR B 4 3.631 -12.857 4.975 1.00 0.28 O ATOM 954 CB THR B 4 1.169 -11.691 3.175 1.00 0.23 C ATOM 955 OG1 THR B 4 1.249 -10.292 2.867 1.00 0.24 O ATOM 956 CG2 THR B 4 -0.201 -12.233 2.801 1.00 0.22 C ATOM 0 H THR B 4 0.822 -9.963 5.087 1.00 0.20 H new ATOM 0 HA THR B 4 1.089 -12.881 4.965 1.00 0.22 H new ATOM 0 HB THR B 4 1.915 -12.236 2.596 1.00 0.23 H new ATOM 0 HG1 THR B 4 2.136 -9.954 3.111 1.00 0.24 H new ATOM 0 HG21 THR B 4 -0.377 -12.074 1.737 1.00 0.22 H new ATOM 0 HG22 THR B 4 -0.242 -13.300 3.020 1.00 0.22 H new ATOM 0 HG23 THR B 4 -0.967 -11.715 3.377 1.00 0.22 H new ATOM 964 N GLY B 5 3.446 -10.615 5.090 1.00 0.20 N ATOM 965 CA GLY B 5 4.874 -10.407 5.133 1.00 0.21 C ATOM 966 C GLY B 5 5.435 -10.567 3.742 1.00 0.19 C ATOM 967 O GLY B 5 6.453 -11.217 3.527 1.00 0.29 O ATOM 0 H GLY B 5 2.885 -9.771 5.202 1.00 0.20 H new ATOM 0 HA2 GLY B 5 5.098 -9.412 5.517 1.00 0.21 H new ATOM 0 HA3 GLY B 5 5.339 -11.123 5.811 1.00 0.21 H new ATOM 971 N ILE B 6 4.725 -9.967 2.803 1.00 0.12 N ATOM 972 CA ILE B 6 4.935 -10.191 1.386 1.00 0.12 C ATOM 973 C ILE B 6 5.304 -8.878 0.708 1.00 0.11 C ATOM 974 O ILE B 6 4.599 -7.881 0.856 1.00 0.11 O ATOM 975 CB ILE B 6 3.648 -10.813 0.758 1.00 0.13 C ATOM 976 CG1 ILE B 6 3.832 -12.317 0.514 1.00 0.17 C ATOM 977 CG2 ILE B 6 3.252 -10.125 -0.547 1.00 0.16 C ATOM 978 CD1 ILE B 6 4.116 -13.120 1.763 1.00 0.20 C ATOM 0 H ILE B 6 3.978 -9.303 3.007 1.00 0.12 H new ATOM 0 HA ILE B 6 5.758 -10.891 1.239 1.00 0.12 H new ATOM 0 HB ILE B 6 2.843 -10.659 1.476 1.00 0.13 H new ATOM 0 HG12 ILE B 6 2.932 -12.709 0.041 1.00 0.17 H new ATOM 0 HG13 ILE B 6 4.651 -12.461 -0.191 1.00 0.17 H new ATOM 0 HG21 ILE B 6 2.352 -10.592 -0.946 1.00 0.16 H new ATOM 0 HG22 ILE B 6 3.060 -9.069 -0.358 1.00 0.16 H new ATOM 0 HG23 ILE B 6 4.062 -10.222 -1.270 1.00 0.16 H new ATOM 0 HD11 ILE B 6 4.232 -14.172 1.501 1.00 0.20 H new ATOM 0 HD12 ILE B 6 5.033 -12.758 2.227 1.00 0.20 H new ATOM 0 HD13 ILE B 6 3.287 -13.010 2.463 1.00 0.20 H new ATOM 990 N VAL B 7 6.419 -8.859 -0.004 1.00 0.13 N ATOM 991 CA VAL B 7 6.846 -7.635 -0.659 1.00 0.12 C ATOM 992 C VAL B 7 6.348 -7.589 -2.100 1.00 0.13 C ATOM 993 O VAL B 7 6.166 -8.629 -2.742 1.00 0.17 O ATOM 994 CB VAL B 7 8.382 -7.447 -0.642 1.00 0.15 C ATOM 995 CG1 VAL B 7 8.970 -7.850 0.698 1.00 0.20 C ATOM 996 CG2 VAL B 7 9.057 -8.194 -1.785 1.00 0.18 C ATOM 0 H VAL B 7 7.034 -9.661 -0.142 1.00 0.13 H new ATOM 0 HA VAL B 7 6.406 -6.818 -0.088 1.00 0.12 H new ATOM 0 HB VAL B 7 8.578 -6.385 -0.789 1.00 0.15 H new ATOM 0 HG11 VAL B 7 10.050 -7.707 0.679 1.00 0.20 H new ATOM 0 HG12 VAL B 7 8.536 -7.234 1.486 1.00 0.20 H new ATOM 0 HG13 VAL B 7 8.746 -8.899 0.893 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.134 -8.036 -1.737 1.00 0.18 H new ATOM 0 HG22 VAL B 7 8.842 -9.259 -1.700 1.00 0.18 H new ATOM 0 HG23 VAL B 7 8.678 -7.822 -2.737 1.00 0.18 H new ATOM 1006 N ARG B 8 6.105 -6.381 -2.590 1.00 0.12 N ATOM 1007 CA ARG B 8 5.727 -6.161 -3.979 1.00 0.13 C ATOM 1008 C ARG B 8 6.427 -4.933 -4.527 1.00 0.14 C ATOM 1009 O ARG B 8 6.837 -4.055 -3.772 1.00 0.14 O ATOM 1010 CB ARG B 8 4.208 -6.008 -4.122 1.00 0.13 C ATOM 1011 CG ARG B 8 3.457 -7.309 -3.927 1.00 0.15 C ATOM 1012 CD ARG B 8 3.875 -8.305 -4.989 1.00 0.21 C ATOM 1013 NE ARG B 8 3.189 -9.595 -4.859 1.00 0.27 N ATOM 1014 CZ ARG B 8 2.962 -10.433 -5.878 1.00 0.90 C ATOM 1015 NH1 ARG B 8 3.331 -10.109 -7.116 1.00 1.94 N ATOM 1016 NH2 ARG B 8 2.359 -11.596 -5.657 1.00 0.79 N ATOM 0 H ARG B 8 6.164 -5.527 -2.036 1.00 0.12 H new ATOM 0 HA ARG B 8 6.037 -7.034 -4.553 1.00 0.13 H new ATOM 0 HB2 ARG B 8 3.853 -5.278 -3.395 1.00 0.13 H new ATOM 0 HB3 ARG B 8 3.981 -5.609 -5.111 1.00 0.13 H new ATOM 0 HG2 ARG B 8 3.662 -7.713 -2.935 1.00 0.15 H new ATOM 0 HG3 ARG B 8 2.383 -7.132 -3.984 1.00 0.15 H new ATOM 0 HD2 ARG B 8 3.669 -7.887 -5.974 1.00 0.21 H new ATOM 0 HD3 ARG B 8 4.952 -8.463 -4.929 1.00 0.21 H new ATOM 0 HE ARG B 8 2.864 -9.871 -3.932 1.00 0.27 H new ATOM 0 HH11 ARG B 8 3.791 -9.216 -7.294 1.00 1.94 H new ATOM 0 HH12 ARG B 8 3.154 -10.754 -7.886 1.00 1.94 H new ATOM 0 HH21 ARG B 8 2.070 -11.849 -4.712 1.00 0.79 H new ATOM 0 HH22 ARG B 8 2.185 -12.236 -6.432 1.00 0.79 H new ATOM 1030 N LYS B 9 6.568 -4.894 -5.838 1.00 0.15 N ATOM 1031 CA LYS B 9 7.203 -3.769 -6.510 1.00 0.15 C ATOM 1032 C LYS B 9 6.215 -2.623 -6.652 1.00 0.15 C ATOM 1033 O LYS B 9 5.001 -2.835 -6.698 1.00 0.19 O ATOM 1034 CB LYS B 9 7.703 -4.185 -7.900 1.00 0.17 C ATOM 1035 CG LYS B 9 8.583 -5.431 -7.913 1.00 0.25 C ATOM 1036 CD LYS B 9 10.073 -5.106 -7.901 1.00 0.37 C ATOM 1037 CE LYS B 9 10.541 -4.568 -6.561 1.00 0.44 C ATOM 1038 NZ LYS B 9 12.022 -4.471 -6.486 1.00 1.37 N ATOM 0 H LYS B 9 6.250 -5.633 -6.466 1.00 0.15 H new ATOM 0 HA LYS B 9 8.053 -3.445 -5.909 1.00 0.15 H new ATOM 0 HB2 LYS B 9 6.841 -4.358 -8.545 1.00 0.17 H new ATOM 0 HB3 LYS B 9 8.263 -3.356 -8.333 1.00 0.17 H new ATOM 0 HG2 LYS B 9 8.344 -6.047 -7.046 1.00 0.25 H new ATOM 0 HG3 LYS B 9 8.353 -6.023 -8.799 1.00 0.25 H new ATOM 0 HD2 LYS B 9 10.639 -6.005 -8.146 1.00 0.37 H new ATOM 0 HD3 LYS B 9 10.288 -4.372 -8.678 1.00 0.37 H new ATOM 0 HE2 LYS B 9 10.104 -3.583 -6.393 1.00 0.44 H new ATOM 0 HE3 LYS B 9 10.179 -5.217 -5.764 1.00 0.44 H new ATOM 0 HZ1 LYS B 9 12.328 -4.586 -5.499 1.00 1.37 H new ATOM 0 HZ2 LYS B 9 12.449 -5.218 -7.070 1.00 1.37 H new ATOM 0 HZ3 LYS B 9 12.327 -3.541 -6.837 1.00 1.37 H new ATOM 1052 N VAL B 10 6.746 -1.413 -6.735 1.00 0.14 N ATOM 1053 CA VAL B 10 5.917 -0.216 -6.831 1.00 0.15 C ATOM 1054 C VAL B 10 5.629 0.108 -8.306 1.00 0.18 C ATOM 1055 O VAL B 10 5.231 1.221 -8.667 1.00 0.21 O ATOM 1056 CB VAL B 10 6.595 0.970 -6.101 1.00 0.18 C ATOM 1057 CG1 VAL B 10 5.684 2.186 -6.019 1.00 0.22 C ATOM 1058 CG2 VAL B 10 7.023 0.545 -4.707 1.00 0.19 C ATOM 0 H VAL B 10 7.750 -1.231 -6.738 1.00 0.14 H new ATOM 0 HA VAL B 10 4.962 -0.398 -6.338 1.00 0.15 H new ATOM 0 HB VAL B 10 7.472 1.256 -6.682 1.00 0.18 H new ATOM 0 HG11 VAL B 10 6.200 2.993 -5.499 1.00 0.22 H new ATOM 0 HG12 VAL B 10 5.421 2.512 -7.025 1.00 0.22 H new ATOM 0 HG13 VAL B 10 4.777 1.925 -5.474 1.00 0.22 H new ATOM 0 HG21 VAL B 10 7.499 1.385 -4.201 1.00 0.19 H new ATOM 0 HG22 VAL B 10 6.149 0.227 -4.139 1.00 0.19 H new ATOM 0 HG23 VAL B 10 7.729 -0.282 -4.780 1.00 0.19 H new ATOM 1068 N ASP B 11 5.849 -0.899 -9.150 1.00 0.21 N ATOM 1069 CA ASP B 11 5.436 -0.869 -10.550 1.00 0.30 C ATOM 1070 C ASP B 11 6.308 0.100 -11.342 1.00 0.38 C ATOM 1071 O ASP B 11 7.489 -0.164 -11.558 1.00 0.66 O ATOM 1072 CB ASP B 11 3.944 -0.507 -10.640 1.00 0.33 C ATOM 1073 CG ASP B 11 3.346 -0.596 -12.025 1.00 0.35 C ATOM 1074 OD1 ASP B 11 3.149 -1.726 -12.522 1.00 1.17 O ATOM 1075 OD2 ASP B 11 3.017 0.469 -12.593 1.00 1.11 O ATOM 0 H ASP B 11 6.321 -1.762 -8.880 1.00 0.21 H new ATOM 0 HA ASP B 11 5.570 -1.856 -10.993 1.00 0.30 H new ATOM 0 HB2 ASP B 11 3.385 -1.167 -9.977 1.00 0.33 H new ATOM 0 HB3 ASP B 11 3.809 0.508 -10.267 1.00 0.33 H new ATOM 1080 N GLU B 12 5.735 1.217 -11.758 1.00 0.30 N ATOM 1081 CA GLU B 12 6.480 2.238 -12.482 1.00 0.31 C ATOM 1082 C GLU B 12 5.887 3.613 -12.248 1.00 0.25 C ATOM 1083 O GLU B 12 6.600 4.589 -12.051 1.00 0.28 O ATOM 1084 CB GLU B 12 6.501 1.927 -13.977 1.00 0.41 C ATOM 1085 CG GLU B 12 5.244 1.247 -14.470 1.00 0.51 C ATOM 1086 CD GLU B 12 5.439 0.567 -15.804 1.00 1.03 C ATOM 1087 OE1 GLU B 12 5.227 1.214 -16.845 1.00 2.09 O ATOM 1088 OE2 GLU B 12 5.799 -0.628 -15.818 1.00 1.00 O ATOM 0 H GLU B 12 4.752 1.442 -11.607 1.00 0.30 H new ATOM 0 HA GLU B 12 7.503 2.235 -12.105 1.00 0.31 H new ATOM 0 HB2 GLU B 12 6.644 2.855 -14.531 1.00 0.41 H new ATOM 0 HB3 GLU B 12 7.358 1.290 -14.195 1.00 0.41 H new ATOM 0 HG2 GLU B 12 4.921 0.510 -13.734 1.00 0.51 H new ATOM 0 HG3 GLU B 12 4.446 1.984 -14.555 1.00 0.51 H new ATOM 1095 N LEU B 13 4.578 3.693 -12.268 1.00 0.24 N ATOM 1096 CA LEU B 13 3.916 4.970 -12.092 1.00 0.24 C ATOM 1097 C LEU B 13 3.754 5.314 -10.617 1.00 0.23 C ATOM 1098 O LEU B 13 3.316 6.409 -10.270 1.00 0.32 O ATOM 1099 CB LEU B 13 2.569 4.982 -12.819 1.00 0.32 C ATOM 1100 CG LEU B 13 2.648 5.219 -14.333 1.00 0.42 C ATOM 1101 CD1 LEU B 13 3.360 6.527 -14.629 1.00 0.49 C ATOM 1102 CD2 LEU B 13 3.345 4.060 -15.036 1.00 0.40 C ATOM 0 H LEU B 13 3.952 2.899 -12.403 1.00 0.24 H new ATOM 0 HA LEU B 13 4.546 5.741 -12.535 1.00 0.24 H new ATOM 0 HB2 LEU B 13 2.070 4.029 -12.642 1.00 0.32 H new ATOM 0 HB3 LEU B 13 1.943 5.757 -12.378 1.00 0.32 H new ATOM 0 HG LEU B 13 1.630 5.281 -14.718 1.00 0.42 H new ATOM 0 HD11 LEU B 13 3.407 6.680 -15.707 1.00 0.49 H new ATOM 0 HD12 LEU B 13 2.814 7.351 -14.170 1.00 0.49 H new ATOM 0 HD13 LEU B 13 4.371 6.491 -14.223 1.00 0.49 H new ATOM 0 HD21 LEU B 13 3.386 4.256 -16.107 1.00 0.40 H new ATOM 0 HD22 LEU B 13 4.358 3.955 -14.647 1.00 0.40 H new ATOM 0 HD23 LEU B 13 2.790 3.139 -14.857 1.00 0.40 H new ATOM 1114 N GLY B 14 4.105 4.371 -9.754 1.00 0.17 N ATOM 1115 CA GLY B 14 4.102 4.633 -8.327 1.00 0.15 C ATOM 1116 C GLY B 14 3.030 3.846 -7.640 1.00 0.14 C ATOM 1117 O GLY B 14 2.711 4.084 -6.491 1.00 0.15 O ATOM 0 H GLY B 14 4.392 3.428 -10.016 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.074 4.377 -7.904 1.00 0.15 H new ATOM 0 HA3 GLY B 14 3.948 5.697 -8.149 1.00 0.15 H new ATOM 1121 N ARG B 15 2.457 2.917 -8.367 1.00 0.16 N ATOM 1122 CA ARG B 15 1.424 2.069 -7.833 1.00 0.14 C ATOM 1123 C ARG B 15 1.982 0.716 -7.413 1.00 0.16 C ATOM 1124 O ARG B 15 2.501 -0.027 -8.233 1.00 0.20 O ATOM 1125 CB ARG B 15 0.322 1.913 -8.872 1.00 0.16 C ATOM 1126 CG ARG B 15 0.833 1.511 -10.242 1.00 0.25 C ATOM 1127 CD ARG B 15 0.103 2.245 -11.347 1.00 0.48 C ATOM 1128 NE ARG B 15 0.642 1.908 -12.664 1.00 0.87 N ATOM 1129 CZ ARG B 15 0.022 2.173 -13.815 1.00 1.14 C ATOM 1130 NH1 ARG B 15 -1.175 2.742 -13.820 1.00 1.00 N ATOM 1131 NH2 ARG B 15 0.589 1.840 -14.964 1.00 1.72 N ATOM 0 H ARG B 15 2.694 2.730 -9.341 1.00 0.16 H new ATOM 0 HA ARG B 15 1.009 2.532 -6.938 1.00 0.14 H new ATOM 0 HB2 ARG B 15 -0.390 1.164 -8.525 1.00 0.16 H new ATOM 0 HB3 ARG B 15 -0.221 2.854 -8.958 1.00 0.16 H new ATOM 0 HG2 ARG B 15 1.901 1.721 -10.309 1.00 0.25 H new ATOM 0 HG3 ARG B 15 0.710 0.436 -10.376 1.00 0.25 H new ATOM 0 HD2 ARG B 15 -0.957 1.995 -11.312 1.00 0.48 H new ATOM 0 HD3 ARG B 15 0.182 3.320 -11.185 1.00 0.48 H new ATOM 0 HE ARG B 15 1.548 1.441 -12.705 1.00 0.87 H new ATOM 0 HH11 ARG B 15 -1.630 2.981 -12.939 1.00 1.00 H new ATOM 0 HH12 ARG B 15 -1.641 2.941 -14.705 1.00 1.00 H new ATOM 0 HH21 ARG B 15 1.500 1.381 -14.969 1.00 1.72 H new ATOM 0 HH22 ARG B 15 0.115 2.043 -15.844 1.00 1.72 H new ATOM 1145 N VAL B 16 1.850 0.380 -6.141 1.00 0.14 N ATOM 1146 CA VAL B 16 2.349 -0.898 -5.662 1.00 0.14 C ATOM 1147 C VAL B 16 1.308 -1.956 -5.960 1.00 0.12 C ATOM 1148 O VAL B 16 0.135 -1.787 -5.632 1.00 0.11 O ATOM 1149 CB VAL B 16 2.664 -0.894 -4.141 1.00 0.16 C ATOM 1150 CG1 VAL B 16 1.402 -0.895 -3.296 1.00 0.15 C ATOM 1151 CG2 VAL B 16 3.560 -2.070 -3.780 1.00 0.17 C ATOM 0 H VAL B 16 1.409 0.964 -5.431 1.00 0.14 H new ATOM 0 HA VAL B 16 3.288 -1.106 -6.175 1.00 0.14 H new ATOM 0 HB VAL B 16 3.195 0.032 -3.920 1.00 0.16 H new ATOM 0 HG11 VAL B 16 1.671 -0.892 -2.240 1.00 0.15 H new ATOM 0 HG12 VAL B 16 0.812 -0.007 -3.522 1.00 0.15 H new ATOM 0 HG13 VAL B 16 0.816 -1.787 -3.519 1.00 0.15 H new ATOM 0 HG21 VAL B 16 3.771 -2.052 -2.711 1.00 0.17 H new ATOM 0 HG22 VAL B 16 3.057 -3.003 -4.035 1.00 0.17 H new ATOM 0 HG23 VAL B 16 4.495 -1.999 -4.335 1.00 0.17 H new ATOM 1161 N VAL B 17 1.706 -3.029 -6.611 1.00 0.11 N ATOM 1162 CA VAL B 17 0.742 -4.048 -6.965 1.00 0.10 C ATOM 1163 C VAL B 17 0.395 -4.849 -5.729 1.00 0.10 C ATOM 1164 O VAL B 17 1.012 -5.876 -5.440 1.00 0.10 O ATOM 1165 CB VAL B 17 1.244 -4.988 -8.084 1.00 0.10 C ATOM 1166 CG1 VAL B 17 0.132 -5.924 -8.542 1.00 0.14 C ATOM 1167 CG2 VAL B 17 1.792 -4.191 -9.263 1.00 0.12 C ATOM 0 H VAL B 17 2.666 -3.216 -6.900 1.00 0.11 H new ATOM 0 HA VAL B 17 -0.142 -3.545 -7.357 1.00 0.10 H new ATOM 0 HB VAL B 17 2.055 -5.591 -7.676 1.00 0.10 H new ATOM 0 HG11 VAL B 17 0.507 -6.577 -9.330 1.00 0.14 H new ATOM 0 HG12 VAL B 17 -0.205 -6.528 -7.700 1.00 0.14 H new ATOM 0 HG13 VAL B 17 -0.703 -5.337 -8.924 1.00 0.14 H new ATOM 0 HG21 VAL B 17 2.138 -4.877 -10.036 1.00 0.12 H new ATOM 0 HG22 VAL B 17 1.006 -3.554 -9.669 1.00 0.12 H new ATOM 0 HG23 VAL B 17 2.624 -3.572 -8.928 1.00 0.12 H new ATOM 1177 N ILE B 18 -0.565 -4.334 -4.969 1.00 0.10 N ATOM 1178 CA ILE B 18 -1.017 -5.002 -3.778 1.00 0.10 C ATOM 1179 C ILE B 18 -1.751 -6.272 -4.172 1.00 0.09 C ATOM 1180 O ILE B 18 -2.766 -6.221 -4.867 1.00 0.10 O ATOM 1181 CB ILE B 18 -1.899 -4.114 -2.871 1.00 0.12 C ATOM 1182 CG1 ILE B 18 -2.711 -4.970 -1.892 1.00 0.12 C ATOM 1183 CG2 ILE B 18 -2.811 -3.199 -3.676 1.00 0.12 C ATOM 1184 CD1 ILE B 18 -3.317 -4.181 -0.752 1.00 0.16 C ATOM 0 H ILE B 18 -1.040 -3.453 -5.166 1.00 0.10 H new ATOM 0 HA ILE B 18 -0.137 -5.243 -3.182 1.00 0.10 H new ATOM 0 HB ILE B 18 -1.228 -3.475 -2.297 1.00 0.12 H new ATOM 0 HG12 ILE B 18 -3.509 -5.473 -2.438 1.00 0.12 H new ATOM 0 HG13 ILE B 18 -2.066 -5.747 -1.482 1.00 0.12 H new ATOM 0 HG21 ILE B 18 -3.412 -2.594 -2.996 1.00 0.12 H new ATOM 0 HG22 ILE B 18 -2.207 -2.546 -4.306 1.00 0.12 H new ATOM 0 HG23 ILE B 18 -3.468 -3.801 -4.303 1.00 0.12 H new ATOM 0 HD11 ILE B 18 -3.876 -4.853 -0.101 1.00 0.16 H new ATOM 0 HD12 ILE B 18 -2.523 -3.700 -0.180 1.00 0.16 H new ATOM 0 HD13 ILE B 18 -3.988 -3.421 -1.152 1.00 0.16 H new ATOM 1196 N PRO B 19 -1.226 -7.426 -3.756 1.00 0.11 N ATOM 1197 CA PRO B 19 -1.712 -8.720 -4.215 1.00 0.15 C ATOM 1198 C PRO B 19 -3.219 -8.869 -4.090 1.00 0.17 C ATOM 1199 O PRO B 19 -3.823 -8.435 -3.100 1.00 0.16 O ATOM 1200 CB PRO B 19 -1.006 -9.713 -3.303 1.00 0.19 C ATOM 1201 CG PRO B 19 0.242 -9.016 -2.886 1.00 0.17 C ATOM 1202 CD PRO B 19 -0.115 -7.558 -2.796 1.00 0.14 C ATOM 0 HA PRO B 19 -1.505 -8.867 -5.275 1.00 0.15 H new ATOM 0 HB2 PRO B 19 -1.624 -9.970 -2.442 1.00 0.19 H new ATOM 0 HB3 PRO B 19 -0.785 -10.644 -3.825 1.00 0.19 H new ATOM 0 HG2 PRO B 19 0.598 -9.392 -1.927 1.00 0.17 H new ATOM 0 HG3 PRO B 19 1.041 -9.179 -3.609 1.00 0.17 H new ATOM 0 HD2 PRO B 19 -0.419 -7.279 -1.787 1.00 0.14 H new ATOM 0 HD3 PRO B 19 0.727 -6.920 -3.064 1.00 0.14 H new ATOM 1210 N ILE B 20 -3.814 -9.504 -5.097 1.00 0.23 N ATOM 1211 CA ILE B 20 -5.250 -9.738 -5.131 1.00 0.27 C ATOM 1212 C ILE B 20 -5.714 -10.420 -3.859 1.00 0.28 C ATOM 1213 O ILE B 20 -6.819 -10.187 -3.390 1.00 0.28 O ATOM 1214 CB ILE B 20 -5.655 -10.596 -6.352 1.00 0.35 C ATOM 1215 CG1 ILE B 20 -5.038 -12.006 -6.286 1.00 0.40 C ATOM 1216 CG2 ILE B 20 -5.247 -9.891 -7.631 1.00 0.38 C ATOM 1217 CD1 ILE B 20 -5.952 -13.044 -5.662 1.00 0.43 C ATOM 0 H ILE B 20 -3.314 -9.868 -5.908 1.00 0.23 H new ATOM 0 HA ILE B 20 -5.733 -8.764 -5.215 1.00 0.27 H new ATOM 0 HB ILE B 20 -6.738 -10.718 -6.339 1.00 0.35 H new ATOM 0 HG12 ILE B 20 -4.775 -12.325 -7.295 1.00 0.40 H new ATOM 0 HG13 ILE B 20 -4.111 -11.961 -5.715 1.00 0.40 H new ATOM 0 HG21 ILE B 20 -5.534 -10.499 -8.489 1.00 0.38 H new ATOM 0 HG22 ILE B 20 -5.746 -8.924 -7.688 1.00 0.38 H new ATOM 0 HG23 ILE B 20 -4.167 -9.743 -7.636 1.00 0.38 H new ATOM 0 HD11 ILE B 20 -5.449 -14.011 -5.650 1.00 0.43 H new ATOM 0 HD12 ILE B 20 -6.195 -12.749 -4.641 1.00 0.43 H new ATOM 0 HD13 ILE B 20 -6.869 -13.119 -6.246 1.00 0.43 H new ATOM 1229 N GLU B 21 -4.836 -11.242 -3.305 1.00 0.30 N ATOM 1230 CA GLU B 21 -5.132 -12.026 -2.123 1.00 0.33 C ATOM 1231 C GLU B 21 -5.322 -11.117 -0.927 1.00 0.30 C ATOM 1232 O GLU B 21 -6.265 -11.268 -0.142 1.00 0.30 O ATOM 1233 CB GLU B 21 -3.990 -12.995 -1.847 1.00 0.38 C ATOM 1234 CG GLU B 21 -3.035 -13.159 -3.022 1.00 0.37 C ATOM 1235 CD GLU B 21 -1.872 -14.069 -2.697 1.00 0.44 C ATOM 1236 OE1 GLU B 21 -2.002 -15.296 -2.883 1.00 1.06 O ATOM 1237 OE2 GLU B 21 -0.823 -13.557 -2.252 1.00 1.27 O ATOM 0 H GLU B 21 -3.893 -11.382 -3.668 1.00 0.30 H new ATOM 0 HA GLU B 21 -6.051 -12.586 -2.295 1.00 0.33 H new ATOM 0 HB2 GLU B 21 -3.430 -12.646 -0.980 1.00 0.38 H new ATOM 0 HB3 GLU B 21 -4.405 -13.969 -1.588 1.00 0.38 H new ATOM 0 HG2 GLU B 21 -3.580 -13.561 -3.876 1.00 0.37 H new ATOM 0 HG3 GLU B 21 -2.656 -12.181 -3.318 1.00 0.37 H new ATOM 1244 N LEU B 22 -4.432 -10.154 -0.798 1.00 0.28 N ATOM 1245 CA LEU B 22 -4.506 -9.233 0.302 1.00 0.27 C ATOM 1246 C LEU B 22 -5.731 -8.355 0.178 1.00 0.23 C ATOM 1247 O LEU B 22 -6.495 -8.227 1.125 1.00 0.25 O ATOM 1248 CB LEU B 22 -3.238 -8.399 0.403 1.00 0.28 C ATOM 1249 CG LEU B 22 -2.064 -9.143 1.022 1.00 0.30 C ATOM 1250 CD1 LEU B 22 -1.366 -10.013 -0.007 1.00 0.52 C ATOM 1251 CD2 LEU B 22 -1.091 -8.169 1.663 1.00 0.41 C ATOM 0 H LEU B 22 -3.656 -9.995 -1.440 1.00 0.28 H new ATOM 0 HA LEU B 22 -4.595 -9.808 1.224 1.00 0.27 H new ATOM 0 HB2 LEU B 22 -2.957 -8.060 -0.594 1.00 0.28 H new ATOM 0 HB3 LEU B 22 -3.446 -7.508 0.996 1.00 0.28 H new ATOM 0 HG LEU B 22 -2.451 -9.799 1.802 1.00 0.30 H new ATOM 0 HD11 LEU B 22 -0.531 -10.533 0.463 1.00 0.52 H new ATOM 0 HD12 LEU B 22 -2.071 -10.743 -0.405 1.00 0.52 H new ATOM 0 HD13 LEU B 22 -0.994 -9.388 -0.819 1.00 0.52 H new ATOM 0 HD21 LEU B 22 -0.259 -8.721 2.100 1.00 0.41 H new ATOM 0 HD22 LEU B 22 -0.713 -7.481 0.906 1.00 0.41 H new ATOM 0 HD23 LEU B 22 -1.602 -7.605 2.443 1.00 0.41 H new ATOM 1263 N ARG B 23 -5.968 -7.804 -1.003 1.00 0.20 N ATOM 1264 CA ARG B 23 -7.135 -6.959 -1.191 1.00 0.19 C ATOM 1265 C ARG B 23 -8.397 -7.814 -1.108 1.00 0.20 C ATOM 1266 O ARG B 23 -9.495 -7.315 -0.878 1.00 0.21 O ATOM 1267 CB ARG B 23 -7.054 -6.188 -2.521 1.00 0.22 C ATOM 1268 CG ARG B 23 -7.146 -7.043 -3.764 1.00 0.33 C ATOM 1269 CD ARG B 23 -8.576 -7.069 -4.259 1.00 0.48 C ATOM 1270 NE ARG B 23 -8.779 -7.942 -5.412 1.00 0.71 N ATOM 1271 CZ ARG B 23 -9.970 -8.137 -5.978 1.00 0.94 C ATOM 1272 NH1 ARG B 23 -11.054 -7.571 -5.456 1.00 1.10 N ATOM 1273 NH2 ARG B 23 -10.084 -8.908 -7.052 1.00 1.20 N ATOM 0 H ARG B 23 -5.381 -7.923 -1.829 1.00 0.20 H new ATOM 0 HA ARG B 23 -7.169 -6.212 -0.398 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -7.857 -5.451 -2.545 1.00 0.22 H new ATOM 0 HB3 ARG B 23 -6.114 -5.637 -2.547 1.00 0.22 H new ATOM 0 HG2 ARG B 23 -6.490 -6.647 -4.539 1.00 0.33 H new ATOM 0 HG3 ARG B 23 -6.808 -8.056 -3.546 1.00 0.33 H new ATOM 0 HD2 ARG B 23 -9.227 -7.395 -3.448 1.00 0.48 H new ATOM 0 HD3 ARG B 23 -8.879 -6.056 -4.523 1.00 0.48 H new ATOM 0 HE ARG B 23 -7.971 -8.426 -5.803 1.00 0.71 H new ATOM 0 HH11 ARG B 23 -10.974 -6.988 -4.623 1.00 1.10 H new ATOM 0 HH12 ARG B 23 -11.966 -7.720 -5.889 1.00 1.10 H new ATOM 0 HH21 ARG B 23 -9.258 -9.355 -7.449 1.00 1.20 H new ATOM 0 HH22 ARG B 23 -10.998 -9.053 -7.481 1.00 1.20 H new ATOM 1287 N ARG B 24 -8.206 -9.113 -1.267 1.00 0.24 N ATOM 1288 CA ARG B 24 -9.246 -10.098 -1.062 1.00 0.27 C ATOM 1289 C ARG B 24 -9.521 -10.226 0.425 1.00 0.29 C ATOM 1290 O ARG B 24 -10.648 -10.472 0.851 1.00 0.33 O ATOM 1291 CB ARG B 24 -8.778 -11.432 -1.632 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.634 -12.601 -1.227 1.00 0.38 C ATOM 1293 CD ARG B 24 -8.759 -13.767 -0.784 1.00 0.65 C ATOM 1294 NE ARG B 24 -9.530 -14.869 -0.218 1.00 0.70 N ATOM 1295 CZ ARG B 24 -9.014 -16.059 0.084 1.00 1.25 C ATOM 1296 NH1 ARG B 24 -7.741 -16.335 -0.192 1.00 2.11 N ATOM 1297 NH2 ARG B 24 -9.781 -16.980 0.647 1.00 1.28 N ATOM 0 H ARG B 24 -7.311 -9.515 -1.546 1.00 0.24 H new ATOM 0 HA ARG B 24 -10.164 -9.795 -1.566 1.00 0.27 H new ATOM 0 HB2 ARG B 24 -8.762 -11.366 -2.720 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.753 -11.615 -1.308 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.301 -12.309 -0.416 1.00 0.38 H new ATOM 0 HG3 ARG B 24 -10.264 -12.907 -2.063 1.00 0.38 H new ATOM 0 HD2 ARG B 24 -8.187 -14.131 -1.637 1.00 0.65 H new ATOM 0 HD3 ARG B 24 -8.040 -13.415 -0.044 1.00 0.65 H new ATOM 0 HE ARG B 24 -10.524 -14.719 -0.043 1.00 0.70 H new ATOM 0 HH11 ARG B 24 -7.152 -15.632 -0.639 1.00 2.11 H new ATOM 0 HH12 ARG B 24 -7.355 -17.249 0.043 1.00 2.11 H new ATOM 0 HH21 ARG B 24 -10.760 -16.776 0.847 1.00 1.28 H new ATOM 0 HH22 ARG B 24 -9.393 -17.894 0.881 1.00 1.28 H new ATOM 1311 N THR B 25 -8.476 -10.019 1.207 1.00 0.29 N ATOM 1312 CA THR B 25 -8.569 -10.129 2.647 1.00 0.35 C ATOM 1313 C THR B 25 -9.314 -8.936 3.231 1.00 0.33 C ATOM 1314 O THR B 25 -10.173 -9.094 4.094 1.00 0.37 O ATOM 1315 CB THR B 25 -7.174 -10.230 3.291 1.00 0.41 C ATOM 1316 OG1 THR B 25 -6.411 -11.265 2.649 1.00 0.45 O ATOM 1317 CG2 THR B 25 -7.280 -10.524 4.782 1.00 0.51 C ATOM 0 H THR B 25 -7.548 -9.772 0.863 1.00 0.29 H new ATOM 0 HA THR B 25 -9.122 -11.042 2.869 1.00 0.35 H new ATOM 0 HB THR B 25 -6.671 -9.272 3.162 1.00 0.41 H new ATOM 0 HG1 THR B 25 -6.314 -11.057 1.696 1.00 0.45 H new ATOM 0 HG21 THR B 25 -6.280 -10.590 5.212 1.00 0.51 H new ATOM 0 HG22 THR B 25 -7.834 -9.723 5.272 1.00 0.51 H new ATOM 0 HG23 THR B 25 -7.802 -11.469 4.930 1.00 0.51 H new ATOM 1325 N LEU B 26 -8.999 -7.741 2.743 1.00 0.30 N ATOM 1326 CA LEU B 26 -9.599 -6.528 3.298 1.00 0.33 C ATOM 1327 C LEU B 26 -10.906 -6.178 2.592 1.00 0.32 C ATOM 1328 O LEU B 26 -11.563 -5.199 2.941 1.00 0.43 O ATOM 1329 CB LEU B 26 -8.646 -5.330 3.220 1.00 0.40 C ATOM 1330 CG LEU B 26 -7.218 -5.538 3.746 1.00 0.50 C ATOM 1331 CD1 LEU B 26 -7.152 -6.586 4.849 1.00 0.59 C ATOM 1332 CD2 LEU B 26 -6.277 -5.871 2.609 1.00 0.54 C ATOM 0 H LEU B 26 -8.343 -7.584 1.977 1.00 0.30 H new ATOM 0 HA LEU B 26 -9.805 -6.741 4.347 1.00 0.33 H new ATOM 0 HB2 LEU B 26 -8.581 -5.017 2.178 1.00 0.40 H new ATOM 0 HB3 LEU B 26 -9.094 -4.505 3.774 1.00 0.40 H new ATOM 0 HG LEU B 26 -6.897 -4.598 4.195 1.00 0.50 H new ATOM 0 HD11 LEU B 26 -6.121 -6.695 5.186 1.00 0.59 H new ATOM 0 HD12 LEU B 26 -7.776 -6.273 5.686 1.00 0.59 H new ATOM 0 HD13 LEU B 26 -7.511 -7.541 4.466 1.00 0.59 H new ATOM 0 HD21 LEU B 26 -5.270 -6.015 3.000 1.00 0.54 H new ATOM 0 HD22 LEU B 26 -6.609 -6.785 2.118 1.00 0.54 H new ATOM 0 HD23 LEU B 26 -6.273 -5.053 1.889 1.00 0.54 H new ATOM 1344 N GLY B 27 -11.280 -6.975 1.598 1.00 0.24 N ATOM 1345 CA GLY B 27 -12.519 -6.733 0.882 1.00 0.27 C ATOM 1346 C GLY B 27 -12.459 -5.492 0.014 1.00 0.33 C ATOM 1347 O GLY B 27 -13.446 -4.762 -0.119 1.00 0.52 O ATOM 0 H GLY B 27 -10.748 -7.783 1.275 1.00 0.24 H new ATOM 0 HA2 GLY B 27 -12.748 -7.597 0.258 1.00 0.27 H new ATOM 0 HA3 GLY B 27 -13.334 -6.631 1.598 1.00 0.27 H new ATOM 1351 N ILE B 28 -11.294 -5.245 -0.559 1.00 0.32 N ATOM 1352 CA ILE B 28 -11.104 -4.131 -1.472 1.00 0.36 C ATOM 1353 C ILE B 28 -11.102 -4.615 -2.917 1.00 0.32 C ATOM 1354 O ILE B 28 -11.242 -5.808 -3.190 1.00 0.35 O ATOM 1355 CB ILE B 28 -9.774 -3.389 -1.215 1.00 0.42 C ATOM 1356 CG1 ILE B 28 -8.960 -4.082 -0.126 1.00 0.42 C ATOM 1357 CG2 ILE B 28 -10.036 -1.938 -0.850 1.00 0.73 C ATOM 1358 CD1 ILE B 28 -7.533 -3.598 -0.052 1.00 0.50 C ATOM 0 H ILE B 28 -10.457 -5.808 -0.406 1.00 0.32 H new ATOM 0 HA ILE B 28 -11.934 -3.446 -1.298 1.00 0.36 H new ATOM 0 HB ILE B 28 -9.190 -3.413 -2.135 1.00 0.42 H new ATOM 0 HG12 ILE B 28 -9.442 -3.920 0.838 1.00 0.42 H new ATOM 0 HG13 ILE B 28 -8.963 -5.157 -0.307 1.00 0.42 H new ATOM 0 HG21 ILE B 28 -9.088 -1.431 -0.672 1.00 0.73 H new ATOM 0 HG22 ILE B 28 -10.563 -1.447 -1.668 1.00 0.73 H new ATOM 0 HG23 ILE B 28 -10.646 -1.894 0.053 1.00 0.73 H new ATOM 0 HD11 ILE B 28 -7.009 -4.130 0.742 1.00 0.50 H new ATOM 0 HD12 ILE B 28 -7.036 -3.785 -1.004 1.00 0.50 H new ATOM 0 HD13 ILE B 28 -7.522 -2.529 0.159 1.00 0.50 H new ATOM 1370 N ALA B 29 -10.913 -3.683 -3.829 1.00 0.30 N ATOM 1371 CA ALA B 29 -10.853 -3.979 -5.250 1.00 0.33 C ATOM 1372 C ALA B 29 -9.959 -2.973 -5.933 1.00 0.43 C ATOM 1373 O ALA B 29 -9.529 -2.009 -5.318 1.00 0.92 O ATOM 1374 CB ALA B 29 -12.247 -3.970 -5.863 1.00 0.36 C ATOM 0 H ALA B 29 -10.796 -2.694 -3.607 1.00 0.30 H new ATOM 0 HA ALA B 29 -10.438 -4.977 -5.390 1.00 0.33 H new ATOM 0 HB1 ALA B 29 -12.178 -4.194 -6.927 1.00 0.36 H new ATOM 0 HB2 ALA B 29 -12.865 -4.723 -5.373 1.00 0.36 H new ATOM 0 HB3 ALA B 29 -12.698 -2.987 -5.728 1.00 0.36 H new ATOM 1380 N GLU B 30 -9.701 -3.188 -7.203 1.00 0.31 N ATOM 1381 CA GLU B 30 -8.781 -2.355 -7.948 1.00 0.29 C ATOM 1382 C GLU B 30 -9.436 -1.038 -8.311 1.00 0.28 C ATOM 1383 O GLU B 30 -8.769 -0.044 -8.581 1.00 0.36 O ATOM 1384 CB GLU B 30 -8.339 -3.096 -9.206 1.00 0.36 C ATOM 1385 CG GLU B 30 -9.521 -3.620 -10.006 1.00 0.47 C ATOM 1386 CD GLU B 30 -9.955 -5.015 -9.605 1.00 0.78 C ATOM 1387 OE1 GLU B 30 -10.818 -5.132 -8.709 1.00 1.50 O ATOM 1388 OE2 GLU B 30 -9.461 -5.994 -10.194 1.00 1.44 O ATOM 0 H GLU B 30 -10.120 -3.941 -7.748 1.00 0.31 H new ATOM 0 HA GLU B 30 -7.908 -2.140 -7.332 1.00 0.29 H new ATOM 0 HB2 GLU B 30 -7.747 -2.427 -9.831 1.00 0.36 H new ATOM 0 HB3 GLU B 30 -7.693 -3.928 -8.928 1.00 0.36 H new ATOM 0 HG2 GLU B 30 -10.362 -2.938 -9.884 1.00 0.47 H new ATOM 0 HG3 GLU B 30 -9.261 -3.620 -11.065 1.00 0.47 H new ATOM 1395 N LYS B 31 -10.750 -1.040 -8.312 1.00 0.24 N ATOM 1396 CA LYS B 31 -11.509 0.164 -8.562 1.00 0.25 C ATOM 1397 C LYS B 31 -11.840 0.821 -7.236 1.00 0.24 C ATOM 1398 O LYS B 31 -12.489 1.869 -7.179 1.00 0.28 O ATOM 1399 CB LYS B 31 -12.782 -0.177 -9.325 1.00 0.27 C ATOM 1400 CG LYS B 31 -12.569 -1.195 -10.434 1.00 0.30 C ATOM 1401 CD LYS B 31 -12.044 -0.569 -11.719 1.00 0.40 C ATOM 1402 CE LYS B 31 -10.580 -0.184 -11.613 1.00 0.37 C ATOM 1403 NZ LYS B 31 -10.021 0.230 -12.926 1.00 0.46 N ATOM 0 H LYS B 31 -11.319 -1.869 -8.141 1.00 0.24 H new ATOM 0 HA LYS B 31 -10.923 0.855 -9.167 1.00 0.25 H new ATOM 0 HB2 LYS B 31 -13.523 -0.563 -8.625 1.00 0.27 H new ATOM 0 HB3 LYS B 31 -13.194 0.736 -9.755 1.00 0.27 H new ATOM 0 HG2 LYS B 31 -11.866 -1.955 -10.093 1.00 0.30 H new ATOM 0 HG3 LYS B 31 -13.511 -1.702 -10.641 1.00 0.30 H new ATOM 0 HD2 LYS B 31 -12.175 -1.271 -12.543 1.00 0.40 H new ATOM 0 HD3 LYS B 31 -12.634 0.316 -11.958 1.00 0.40 H new ATOM 0 HE2 LYS B 31 -10.470 0.631 -10.898 1.00 0.37 H new ATOM 0 HE3 LYS B 31 -10.010 -1.028 -11.225 1.00 0.37 H new ATOM 0 HZ1 LYS B 31 -9.029 0.518 -12.806 1.00 0.46 H new ATOM 0 HZ2 LYS B 31 -10.072 -0.567 -13.592 1.00 0.46 H new ATOM 0 HZ3 LYS B 31 -10.570 1.030 -13.301 1.00 0.46 H new ATOM 1417 N ASP B 32 -11.377 0.186 -6.163 1.00 0.21 N ATOM 1418 CA ASP B 32 -11.610 0.684 -4.827 1.00 0.21 C ATOM 1419 C ASP B 32 -10.573 1.720 -4.471 1.00 0.22 C ATOM 1420 O ASP B 32 -9.694 2.044 -5.272 1.00 0.40 O ATOM 1421 CB ASP B 32 -11.579 -0.445 -3.805 1.00 0.21 C ATOM 1422 CG ASP B 32 -12.629 -0.286 -2.718 1.00 1.19 C ATOM 1423 OD1 ASP B 32 -12.775 0.833 -2.186 1.00 1.85 O ATOM 1424 OD2 ASP B 32 -13.297 -1.288 -2.382 1.00 2.05 O ATOM 0 H ASP B 32 -10.837 -0.678 -6.202 1.00 0.21 H new ATOM 0 HA ASP B 32 -12.600 1.139 -4.807 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.733 -1.395 -4.316 1.00 0.21 H new ATOM 0 HB3 ASP B 32 -10.591 -0.486 -3.346 1.00 0.21 H new ATOM 1429 N ALA B 33 -10.683 2.235 -3.270 1.00 0.21 N ATOM 1430 CA ALA B 33 -9.748 3.213 -2.772 1.00 0.17 C ATOM 1431 C ALA B 33 -9.211 2.743 -1.442 1.00 0.15 C ATOM 1432 O ALA B 33 -9.841 1.942 -0.747 1.00 0.25 O ATOM 1433 CB ALA B 33 -10.399 4.585 -2.641 1.00 0.21 C ATOM 0 H ALA B 33 -11.422 1.988 -2.612 1.00 0.21 H new ATOM 0 HA ALA B 33 -8.927 3.315 -3.481 1.00 0.17 H new ATOM 0 HB1 ALA B 33 -9.668 5.300 -2.263 1.00 0.21 H new ATOM 0 HB2 ALA B 33 -10.756 4.913 -3.617 1.00 0.21 H new ATOM 0 HB3 ALA B 33 -11.239 4.525 -1.949 1.00 0.21 H new ATOM 1439 N LEU B 34 -8.057 3.236 -1.092 1.00 0.11 N ATOM 1440 CA LEU B 34 -7.401 2.845 0.121 1.00 0.12 C ATOM 1441 C LEU B 34 -6.969 4.082 0.851 1.00 0.12 C ATOM 1442 O LEU B 34 -6.307 4.937 0.283 1.00 0.14 O ATOM 1443 CB LEU B 34 -6.204 1.963 -0.198 1.00 0.14 C ATOM 1444 CG LEU B 34 -6.564 0.545 -0.640 1.00 0.15 C ATOM 1445 CD1 LEU B 34 -5.395 -0.101 -1.365 1.00 0.23 C ATOM 1446 CD2 LEU B 34 -6.946 -0.281 0.576 1.00 0.33 C ATOM 0 H LEU B 34 -7.543 3.923 -1.643 1.00 0.11 H new ATOM 0 HA LEU B 34 -8.083 2.273 0.750 1.00 0.12 H new ATOM 0 HB2 LEU B 34 -5.618 2.438 -0.985 1.00 0.14 H new ATOM 0 HB3 LEU B 34 -5.566 1.905 0.684 1.00 0.14 H new ATOM 0 HG LEU B 34 -7.409 0.591 -1.327 1.00 0.15 H new ATOM 0 HD11 LEU B 34 -5.670 -1.110 -1.672 1.00 0.23 H new ATOM 0 HD12 LEU B 34 -5.141 0.490 -2.245 1.00 0.23 H new ATOM 0 HD13 LEU B 34 -4.534 -0.147 -0.698 1.00 0.23 H new ATOM 0 HD21 LEU B 34 -7.203 -1.293 0.262 1.00 0.33 H new ATOM 0 HD22 LEU B 34 -6.106 -0.318 1.269 1.00 0.33 H new ATOM 0 HD23 LEU B 34 -7.804 0.175 1.070 1.00 0.33 H new ATOM 1458 N GLU B 35 -7.352 4.176 2.092 1.00 0.14 N ATOM 1459 CA GLU B 35 -7.061 5.323 2.890 1.00 0.16 C ATOM 1460 C GLU B 35 -5.711 5.118 3.553 1.00 0.13 C ATOM 1461 O GLU B 35 -5.588 4.426 4.569 1.00 0.14 O ATOM 1462 CB GLU B 35 -8.170 5.520 3.908 1.00 0.25 C ATOM 1463 CG GLU B 35 -8.137 6.882 4.545 1.00 0.33 C ATOM 1464 CD GLU B 35 -9.205 7.056 5.610 1.00 0.47 C ATOM 1465 OE1 GLU B 35 -8.993 6.588 6.748 1.00 1.29 O ATOM 1466 OE2 GLU B 35 -10.258 7.658 5.320 1.00 1.01 O ATOM 0 H GLU B 35 -7.879 3.451 2.579 1.00 0.14 H new ATOM 0 HA GLU B 35 -7.011 6.224 2.279 1.00 0.16 H new ATOM 0 HB2 GLU B 35 -9.134 5.374 3.422 1.00 0.25 H new ATOM 0 HB3 GLU B 35 -8.086 4.759 4.683 1.00 0.25 H new ATOM 0 HG2 GLU B 35 -7.156 7.047 4.990 1.00 0.33 H new ATOM 0 HG3 GLU B 35 -8.270 7.642 3.775 1.00 0.33 H new ATOM 1473 N ILE B 36 -4.695 5.675 2.921 1.00 0.11 N ATOM 1474 CA ILE B 36 -3.318 5.438 3.316 1.00 0.09 C ATOM 1475 C ILE B 36 -2.809 6.451 4.346 1.00 0.10 C ATOM 1476 O ILE B 36 -3.029 7.662 4.242 1.00 0.12 O ATOM 1477 CB ILE B 36 -2.395 5.463 2.088 1.00 0.11 C ATOM 1478 CG1 ILE B 36 -2.796 4.378 1.091 1.00 0.10 C ATOM 1479 CG2 ILE B 36 -0.942 5.299 2.501 1.00 0.14 C ATOM 1480 CD1 ILE B 36 -3.359 4.932 -0.197 1.00 0.13 C ATOM 0 H ILE B 36 -4.799 6.302 2.123 1.00 0.11 H new ATOM 0 HA ILE B 36 -3.300 4.453 3.783 1.00 0.09 H new ATOM 0 HB ILE B 36 -2.503 6.433 1.602 1.00 0.11 H new ATOM 0 HG12 ILE B 36 -1.926 3.762 0.864 1.00 0.10 H new ATOM 0 HG13 ILE B 36 -3.537 3.725 1.553 1.00 0.10 H new ATOM 0 HG21 ILE B 36 -0.307 5.320 1.615 1.00 0.14 H new ATOM 0 HG22 ILE B 36 -0.660 6.113 3.169 1.00 0.14 H new ATOM 0 HG23 ILE B 36 -0.815 4.347 3.016 1.00 0.14 H new ATOM 0 HD11 ILE B 36 -3.624 4.110 -0.862 1.00 0.13 H new ATOM 0 HD12 ILE B 36 -4.248 5.524 0.020 1.00 0.13 H new ATOM 0 HD13 ILE B 36 -2.612 5.562 -0.679 1.00 0.13 H new ATOM 1492 N TYR B 37 -2.112 5.918 5.330 1.00 0.11 N ATOM 1493 CA TYR B 37 -1.471 6.687 6.384 1.00 0.12 C ATOM 1494 C TYR B 37 -0.046 6.178 6.525 1.00 0.11 C ATOM 1495 O TYR B 37 0.368 5.312 5.765 1.00 0.11 O ATOM 1496 CB TYR B 37 -2.194 6.516 7.723 1.00 0.16 C ATOM 1497 CG TYR B 37 -3.614 7.040 7.768 1.00 0.39 C ATOM 1498 CD1 TYR B 37 -4.640 6.406 7.082 1.00 1.43 C ATOM 1499 CD2 TYR B 37 -3.926 8.168 8.519 1.00 1.12 C ATOM 1500 CE1 TYR B 37 -5.932 6.881 7.138 1.00 1.59 C ATOM 1501 CE2 TYR B 37 -5.219 8.649 8.579 1.00 1.19 C ATOM 1502 CZ TYR B 37 -6.218 8.002 7.885 1.00 0.88 C ATOM 1503 OH TYR B 37 -7.509 8.476 7.937 1.00 1.13 O ATOM 0 H TYR B 37 -1.971 4.912 5.423 1.00 0.11 H new ATOM 0 HA TYR B 37 -1.498 7.745 6.122 1.00 0.12 H new ATOM 0 HB2 TYR B 37 -2.208 5.456 7.976 1.00 0.16 H new ATOM 0 HB3 TYR B 37 -1.614 7.020 8.496 1.00 0.16 H new ATOM 0 HD1 TYR B 37 -4.422 5.526 6.495 1.00 1.43 H new ATOM 0 HD2 TYR B 37 -3.144 8.676 9.064 1.00 1.12 H new ATOM 0 HE1 TYR B 37 -6.719 6.375 6.597 1.00 1.59 H new ATOM 0 HE2 TYR B 37 -5.446 9.527 9.166 1.00 1.19 H new ATOM 0 HH TYR B 37 -8.136 7.732 7.818 1.00 1.13 H new ATOM 1513 N VAL B 38 0.706 6.729 7.463 1.00 0.12 N ATOM 1514 CA VAL B 38 2.044 6.237 7.771 1.00 0.13 C ATOM 1515 C VAL B 38 2.354 6.424 9.249 1.00 0.14 C ATOM 1516 O VAL B 38 2.130 7.492 9.816 1.00 0.17 O ATOM 1517 CB VAL B 38 3.144 6.925 6.920 1.00 0.15 C ATOM 1518 CG1 VAL B 38 4.514 6.791 7.578 1.00 0.16 C ATOM 1519 CG2 VAL B 38 3.187 6.361 5.509 1.00 0.19 C ATOM 0 H VAL B 38 0.412 7.524 8.030 1.00 0.12 H new ATOM 0 HA VAL B 38 2.050 5.176 7.522 1.00 0.13 H new ATOM 0 HB VAL B 38 2.889 7.983 6.860 1.00 0.15 H new ATOM 0 HG11 VAL B 38 5.265 7.283 6.959 1.00 0.16 H new ATOM 0 HG12 VAL B 38 4.492 7.259 8.562 1.00 0.16 H new ATOM 0 HG13 VAL B 38 4.765 5.736 7.684 1.00 0.16 H new ATOM 0 HG21 VAL B 38 3.968 6.865 4.940 1.00 0.19 H new ATOM 0 HG22 VAL B 38 3.400 5.293 5.550 1.00 0.19 H new ATOM 0 HG23 VAL B 38 2.224 6.521 5.024 1.00 0.19 H new ATOM 1529 N ASP B 39 2.881 5.383 9.858 1.00 0.16 N ATOM 1530 CA ASP B 39 3.274 5.426 11.249 1.00 0.20 C ATOM 1531 C ASP B 39 4.772 5.588 11.322 1.00 0.24 C ATOM 1532 O ASP B 39 5.507 4.607 11.212 1.00 0.35 O ATOM 1533 CB ASP B 39 2.833 4.163 11.991 1.00 0.37 C ATOM 1534 CG ASP B 39 3.143 4.224 13.473 1.00 0.99 C ATOM 1535 OD1 ASP B 39 2.413 4.923 14.203 1.00 1.49 O ATOM 1536 OD2 ASP B 39 4.116 3.576 13.915 1.00 1.71 O ATOM 0 H ASP B 39 3.048 4.485 9.403 1.00 0.16 H new ATOM 0 HA ASP B 39 2.785 6.271 11.733 1.00 0.20 H new ATOM 0 HB2 ASP B 39 1.761 4.019 11.853 1.00 0.37 H new ATOM 0 HB3 ASP B 39 3.330 3.297 11.554 1.00 0.37 H new ATOM 1541 N ASP B 40 5.197 6.849 11.431 1.00 0.33 N ATOM 1542 CA ASP B 40 6.607 7.226 11.516 1.00 0.46 C ATOM 1543 C ASP B 40 7.379 6.840 10.258 1.00 0.51 C ATOM 1544 O ASP B 40 7.763 7.691 9.458 1.00 0.90 O ATOM 1545 CB ASP B 40 7.262 6.576 12.737 1.00 0.71 C ATOM 1546 CG ASP B 40 8.717 6.979 12.906 1.00 1.40 C ATOM 1547 OD1 ASP B 40 8.987 8.179 13.124 1.00 1.98 O ATOM 1548 OD2 ASP B 40 9.594 6.098 12.829 1.00 2.08 O ATOM 0 H ASP B 40 4.562 7.646 11.463 1.00 0.33 H new ATOM 0 HA ASP B 40 6.642 8.311 11.614 1.00 0.46 H new ATOM 0 HB2 ASP B 40 6.706 6.853 13.633 1.00 0.71 H new ATOM 0 HB3 ASP B 40 7.198 5.492 12.645 1.00 0.71 H new ATOM 1553 N GLU B 41 7.569 5.547 10.092 1.00 0.40 N ATOM 1554 CA GLU B 41 8.438 5.002 9.076 1.00 0.60 C ATOM 1555 C GLU B 41 7.695 4.025 8.170 1.00 0.45 C ATOM 1556 O GLU B 41 8.274 3.498 7.219 1.00 0.48 O ATOM 1557 CB GLU B 41 9.582 4.268 9.773 1.00 1.02 C ATOM 1558 CG GLU B 41 9.083 3.260 10.801 1.00 1.19 C ATOM 1559 CD GLU B 41 10.198 2.489 11.477 1.00 1.70 C ATOM 1560 OE1 GLU B 41 10.953 1.775 10.781 1.00 1.96 O ATOM 1561 OE2 GLU B 41 10.312 2.575 12.719 1.00 2.39 O ATOM 0 H GLU B 41 7.117 4.838 10.668 1.00 0.40 H new ATOM 0 HA GLU B 41 8.811 5.817 8.455 1.00 0.60 H new ATOM 0 HB2 GLU B 41 10.188 3.753 9.027 1.00 1.02 H new ATOM 0 HB3 GLU B 41 10.230 4.994 10.264 1.00 1.02 H new ATOM 0 HG2 GLU B 41 8.501 3.783 11.560 1.00 1.19 H new ATOM 0 HG3 GLU B 41 8.409 2.556 10.312 1.00 1.19 H new ATOM 1568 N LYS B 42 6.421 3.764 8.452 1.00 0.32 N ATOM 1569 CA LYS B 42 5.731 2.711 7.721 1.00 0.28 C ATOM 1570 C LYS B 42 4.364 3.126 7.222 1.00 0.20 C ATOM 1571 O LYS B 42 3.695 3.948 7.818 1.00 0.18 O ATOM 1572 CB LYS B 42 5.619 1.455 8.588 1.00 0.35 C ATOM 1573 CG LYS B 42 4.528 1.554 9.636 1.00 0.44 C ATOM 1574 CD LYS B 42 4.560 0.398 10.618 1.00 0.52 C ATOM 1575 CE LYS B 42 3.287 0.372 11.443 1.00 0.41 C ATOM 1576 NZ LYS B 42 3.398 -0.507 12.635 1.00 0.83 N ATOM 0 H LYS B 42 5.864 4.249 9.156 1.00 0.32 H new ATOM 0 HA LYS B 42 6.332 2.499 6.837 1.00 0.28 H new ATOM 0 HB2 LYS B 42 5.423 0.595 7.948 1.00 0.35 H new ATOM 0 HB3 LYS B 42 6.574 1.275 9.082 1.00 0.35 H new ATOM 0 HG2 LYS B 42 4.635 2.492 10.180 1.00 0.44 H new ATOM 0 HG3 LYS B 42 3.556 1.581 9.143 1.00 0.44 H new ATOM 0 HD2 LYS B 42 4.671 -0.543 10.079 1.00 0.52 H new ATOM 0 HD3 LYS B 42 5.425 0.494 11.274 1.00 0.52 H new ATOM 0 HE2 LYS B 42 3.046 1.385 11.764 1.00 0.41 H new ATOM 0 HE3 LYS B 42 2.461 0.030 10.819 1.00 0.41 H new ATOM 0 HZ1 LYS B 42 2.503 -0.489 13.164 1.00 0.83 H new ATOM 0 HZ2 LYS B 42 3.601 -1.480 12.331 1.00 0.83 H new ATOM 0 HZ3 LYS B 42 4.168 -0.167 13.246 1.00 0.83 H new ATOM 1590 N ILE B 43 3.954 2.499 6.140 1.00 0.16 N ATOM 1591 CA ILE B 43 2.739 2.853 5.431 1.00 0.13 C ATOM 1592 C ILE B 43 1.555 2.025 5.931 1.00 0.12 C ATOM 1593 O ILE B 43 1.688 0.830 6.184 1.00 0.13 O ATOM 1594 CB ILE B 43 2.943 2.608 3.928 1.00 0.12 C ATOM 1595 CG1 ILE B 43 4.250 3.256 3.461 1.00 0.20 C ATOM 1596 CG2 ILE B 43 1.773 3.136 3.131 1.00 0.12 C ATOM 1597 CD1 ILE B 43 4.715 2.777 2.105 1.00 0.47 C ATOM 0 H ILE B 43 4.460 1.719 5.721 1.00 0.16 H new ATOM 0 HA ILE B 43 2.521 3.906 5.612 1.00 0.13 H new ATOM 0 HB ILE B 43 3.005 1.533 3.760 1.00 0.12 H new ATOM 0 HG12 ILE B 43 4.118 4.337 3.429 1.00 0.20 H new ATOM 0 HG13 ILE B 43 5.029 3.052 4.195 1.00 0.20 H new ATOM 0 HG21 ILE B 43 1.942 2.950 2.070 1.00 0.12 H new ATOM 0 HG22 ILE B 43 0.860 2.631 3.447 1.00 0.12 H new ATOM 0 HG23 ILE B 43 1.672 4.208 3.300 1.00 0.12 H new ATOM 0 HD11 ILE B 43 5.646 3.279 1.841 1.00 0.47 H new ATOM 0 HD12 ILE B 43 4.880 1.700 2.137 1.00 0.47 H new ATOM 0 HD13 ILE B 43 3.955 3.006 1.358 1.00 0.47 H new ATOM 1609 N ILE B 44 0.403 2.665 6.078 1.00 0.12 N ATOM 1610 CA ILE B 44 -0.783 2.006 6.615 1.00 0.13 C ATOM 1611 C ILE B 44 -1.940 2.153 5.637 1.00 0.12 C ATOM 1612 O ILE B 44 -2.507 3.233 5.503 1.00 0.12 O ATOM 1613 CB ILE B 44 -1.238 2.595 7.978 1.00 0.14 C ATOM 1614 CG1 ILE B 44 -0.154 3.476 8.620 1.00 0.14 C ATOM 1615 CG2 ILE B 44 -1.643 1.469 8.924 1.00 0.18 C ATOM 1616 CD1 ILE B 44 1.064 2.729 9.117 1.00 0.15 C ATOM 0 H ILE B 44 0.263 3.645 5.832 1.00 0.12 H new ATOM 0 HA ILE B 44 -0.512 0.961 6.765 1.00 0.13 H new ATOM 0 HB ILE B 44 -2.100 3.235 7.790 1.00 0.14 H new ATOM 0 HG12 ILE B 44 0.167 4.220 7.891 1.00 0.14 H new ATOM 0 HG13 ILE B 44 -0.596 4.018 9.456 1.00 0.14 H new ATOM 0 HG21 ILE B 44 -1.961 1.891 9.877 1.00 0.18 H new ATOM 0 HG22 ILE B 44 -2.465 0.904 8.486 1.00 0.18 H new ATOM 0 HG23 ILE B 44 -0.793 0.806 9.086 1.00 0.18 H new ATOM 0 HD11 ILE B 44 1.771 3.435 9.553 1.00 0.15 H new ATOM 0 HD12 ILE B 44 0.763 2.004 9.873 1.00 0.15 H new ATOM 0 HD13 ILE B 44 1.537 2.209 8.284 1.00 0.15 H new ATOM 1628 N LEU B 45 -2.275 1.082 4.945 1.00 0.13 N ATOM 1629 CA LEU B 45 -3.372 1.113 3.993 1.00 0.12 C ATOM 1630 C LEU B 45 -4.640 0.558 4.613 1.00 0.12 C ATOM 1631 O LEU B 45 -4.749 -0.637 4.869 1.00 0.12 O ATOM 1632 CB LEU B 45 -3.045 0.303 2.732 1.00 0.12 C ATOM 1633 CG LEU B 45 -2.277 1.044 1.640 1.00 0.11 C ATOM 1634 CD1 LEU B 45 -0.891 1.433 2.116 1.00 0.12 C ATOM 1635 CD2 LEU B 45 -2.185 0.187 0.389 1.00 0.12 C ATOM 0 H LEU B 45 -1.805 0.180 5.023 1.00 0.13 H new ATOM 0 HA LEU B 45 -3.523 2.157 3.717 1.00 0.12 H new ATOM 0 HB2 LEU B 45 -2.465 -0.572 3.026 1.00 0.12 H new ATOM 0 HB3 LEU B 45 -3.980 -0.063 2.307 1.00 0.12 H new ATOM 0 HG LEU B 45 -2.821 1.958 1.403 1.00 0.11 H new ATOM 0 HD11 LEU B 45 -0.367 1.959 1.318 1.00 0.12 H new ATOM 0 HD12 LEU B 45 -0.975 2.084 2.986 1.00 0.12 H new ATOM 0 HD13 LEU B 45 -0.334 0.536 2.386 1.00 0.12 H new ATOM 0 HD21 LEU B 45 -1.635 0.727 -0.382 1.00 0.12 H new ATOM 0 HD22 LEU B 45 -1.665 -0.742 0.622 1.00 0.12 H new ATOM 0 HD23 LEU B 45 -3.188 -0.039 0.028 1.00 0.12 H new ATOM 1647 N LYS B 46 -5.589 1.421 4.873 1.00 0.15 N ATOM 1648 CA LYS B 46 -6.923 0.980 5.226 1.00 0.18 C ATOM 1649 C LYS B 46 -7.774 1.101 4.000 1.00 0.20 C ATOM 1650 O LYS B 46 -7.452 1.856 3.101 1.00 0.44 O ATOM 1651 CB LYS B 46 -7.504 1.819 6.368 1.00 0.30 C ATOM 1652 CG LYS B 46 -6.720 1.729 7.661 1.00 0.93 C ATOM 1653 CD LYS B 46 -7.429 2.458 8.791 1.00 1.04 C ATOM 1654 CE LYS B 46 -7.599 3.937 8.483 1.00 1.68 C ATOM 1655 NZ LYS B 46 -8.925 4.241 7.875 1.00 1.98 N ATOM 0 H LYS B 46 -5.467 2.433 4.848 1.00 0.15 H new ATOM 0 HA LYS B 46 -6.893 -0.052 5.576 1.00 0.18 H new ATOM 0 HB2 LYS B 46 -7.547 2.862 6.053 1.00 0.30 H new ATOM 0 HB3 LYS B 46 -8.529 1.500 6.554 1.00 0.30 H new ATOM 0 HG2 LYS B 46 -6.581 0.682 7.932 1.00 0.93 H new ATOM 0 HG3 LYS B 46 -5.727 2.156 7.517 1.00 0.93 H new ATOM 0 HD2 LYS B 46 -8.407 2.006 8.959 1.00 1.04 H new ATOM 0 HD3 LYS B 46 -6.860 2.341 9.714 1.00 1.04 H new ATOM 0 HE2 LYS B 46 -7.483 4.512 9.401 1.00 1.68 H new ATOM 0 HE3 LYS B 46 -6.809 4.257 7.804 1.00 1.68 H new ATOM 0 HZ1 LYS B 46 -8.805 4.934 7.109 1.00 1.98 H new ATOM 0 HZ2 LYS B 46 -9.339 3.368 7.490 1.00 1.98 H new ATOM 0 HZ3 LYS B 46 -9.558 4.633 8.601 1.00 1.98 H new ATOM 1669 N LYS B 47 -8.819 0.329 3.919 1.00 0.18 N ATOM 1670 CA LYS B 47 -9.714 0.451 2.800 1.00 0.22 C ATOM 1671 C LYS B 47 -10.565 1.697 2.988 1.00 0.23 C ATOM 1672 O LYS B 47 -10.948 2.033 4.111 1.00 0.32 O ATOM 1673 CB LYS B 47 -10.562 -0.813 2.659 1.00 0.38 C ATOM 1674 CG LYS B 47 -11.972 -0.712 3.210 1.00 0.54 C ATOM 1675 CD LYS B 47 -12.909 -1.608 2.424 1.00 0.88 C ATOM 1676 CE LYS B 47 -12.974 -1.155 0.974 1.00 1.63 C ATOM 1677 NZ LYS B 47 -13.890 -1.987 0.148 1.00 2.20 N ATOM 0 H LYS B 47 -9.072 -0.384 4.604 1.00 0.18 H new ATOM 0 HA LYS B 47 -9.151 0.557 1.873 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -10.620 -1.076 1.603 1.00 0.38 H new ATOM 0 HB3 LYS B 47 -10.050 -1.632 3.164 1.00 0.38 H new ATOM 0 HG2 LYS B 47 -11.980 -0.999 4.262 1.00 0.54 H new ATOM 0 HG3 LYS B 47 -12.317 0.321 3.159 1.00 0.54 H new ATOM 0 HD2 LYS B 47 -12.565 -2.641 2.475 1.00 0.88 H new ATOM 0 HD3 LYS B 47 -13.905 -1.582 2.866 1.00 0.88 H new ATOM 0 HE2 LYS B 47 -13.303 -0.116 0.938 1.00 1.63 H new ATOM 0 HE3 LYS B 47 -11.973 -1.188 0.543 1.00 1.63 H new ATOM 0 HZ1 LYS B 47 -13.894 -1.632 -0.830 1.00 2.20 H new ATOM 0 HZ2 LYS B 47 -13.565 -2.975 0.157 1.00 2.20 H new ATOM 0 HZ3 LYS B 47 -14.852 -1.936 0.539 1.00 2.20 H new ATOM 1691 N TYR B 48 -10.806 2.410 1.905 1.00 0.23 N ATOM 1692 CA TYR B 48 -11.576 3.636 1.969 1.00 0.31 C ATOM 1693 C TYR B 48 -12.974 3.353 2.488 1.00 0.50 C ATOM 1694 O TYR B 48 -13.534 2.279 2.254 1.00 0.60 O ATOM 1695 CB TYR B 48 -11.607 4.303 0.593 1.00 0.27 C ATOM 1696 CG TYR B 48 -12.600 5.438 0.436 1.00 0.85 C ATOM 1697 CD1 TYR B 48 -12.449 6.634 1.132 1.00 1.77 C ATOM 1698 CD2 TYR B 48 -13.680 5.316 -0.429 1.00 1.70 C ATOM 1699 CE1 TYR B 48 -13.351 7.670 0.972 1.00 2.45 C ATOM 1700 CE2 TYR B 48 -14.584 6.346 -0.592 1.00 2.36 C ATOM 1701 CZ TYR B 48 -14.415 7.519 0.107 1.00 2.50 C ATOM 1702 OH TYR B 48 -15.314 8.547 -0.060 1.00 3.32 O ATOM 0 H TYR B 48 -10.480 2.161 0.971 1.00 0.23 H new ATOM 0 HA TYR B 48 -11.101 4.327 2.666 1.00 0.31 H new ATOM 0 HB2 TYR B 48 -10.610 4.683 0.371 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -11.831 3.542 -0.155 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.615 6.755 1.807 1.00 1.77 H new ATOM 0 HD2 TYR B 48 -13.815 4.399 -0.984 1.00 1.70 H new ATOM 0 HE1 TYR B 48 -13.223 8.591 1.521 1.00 2.45 H new ATOM 0 HE2 TYR B 48 -15.421 6.232 -1.265 1.00 2.36 H new ATOM 0 HH TYR B 48 -16.002 8.279 -0.704 1.00 3.32 H new ATOM 1712 N LYS B 49 -13.523 4.323 3.194 1.00 0.60 N ATOM 1713 CA LYS B 49 -14.834 4.181 3.799 1.00 0.78 C ATOM 1714 C LYS B 49 -15.885 4.063 2.705 1.00 0.78 C ATOM 1715 O LYS B 49 -16.056 4.977 1.900 1.00 0.73 O ATOM 1716 CB LYS B 49 -15.127 5.397 4.680 1.00 0.90 C ATOM 1717 CG LYS B 49 -16.455 5.330 5.421 1.00 1.30 C ATOM 1718 CD LYS B 49 -16.478 4.218 6.456 1.00 1.31 C ATOM 1719 CE LYS B 49 -15.505 4.495 7.588 1.00 1.50 C ATOM 1720 NZ LYS B 49 -15.680 3.539 8.711 1.00 2.21 N ATOM 0 H LYS B 49 -13.077 5.225 3.364 1.00 0.60 H new ATOM 0 HA LYS B 49 -14.858 3.283 4.416 1.00 0.78 H new ATOM 0 HB2 LYS B 49 -14.323 5.505 5.408 1.00 0.90 H new ATOM 0 HB3 LYS B 49 -15.116 6.292 4.058 1.00 0.90 H new ATOM 0 HG2 LYS B 49 -16.644 6.285 5.912 1.00 1.30 H new ATOM 0 HG3 LYS B 49 -17.262 5.174 4.705 1.00 1.30 H new ATOM 0 HD2 LYS B 49 -17.486 4.114 6.858 1.00 1.31 H new ATOM 0 HD3 LYS B 49 -16.225 3.271 5.980 1.00 1.31 H new ATOM 0 HE2 LYS B 49 -14.483 4.432 7.213 1.00 1.50 H new ATOM 0 HE3 LYS B 49 -15.649 5.513 7.951 1.00 1.50 H new ATOM 0 HZ1 LYS B 49 -14.998 3.760 9.465 1.00 2.21 H new ATOM 0 HZ2 LYS B 49 -16.647 3.617 9.085 1.00 2.21 H new ATOM 0 HZ3 LYS B 49 -15.517 2.570 8.370 1.00 2.21 H new ATOM 1734 N PRO B 50 -16.612 2.937 2.667 1.00 0.89 N ATOM 1735 CA PRO B 50 -17.551 2.647 1.591 1.00 0.97 C ATOM 1736 C PRO B 50 -18.872 3.373 1.785 1.00 1.09 C ATOM 1737 O PRO B 50 -19.923 2.928 1.318 1.00 1.25 O ATOM 1738 CB PRO B 50 -17.728 1.136 1.701 1.00 1.04 C ATOM 1739 CG PRO B 50 -17.577 0.851 3.153 1.00 1.08 C ATOM 1740 CD PRO B 50 -16.590 1.859 3.678 1.00 0.99 C ATOM 0 HA PRO B 50 -17.196 2.974 0.614 1.00 0.97 H new ATOM 0 HB2 PRO B 50 -18.705 0.823 1.334 1.00 1.04 H new ATOM 0 HB3 PRO B 50 -16.981 0.604 1.112 1.00 1.04 H new ATOM 0 HG2 PRO B 50 -18.534 0.938 3.668 1.00 1.08 H new ATOM 0 HG3 PRO B 50 -17.219 -0.166 3.315 1.00 1.08 H new ATOM 0 HD2 PRO B 50 -16.880 2.228 4.662 1.00 0.99 H new ATOM 0 HD3 PRO B 50 -15.594 1.427 3.781 1.00 0.99 H new ATOM 1748 N ASN B 51 -18.801 4.498 2.476 1.00 1.09 N ATOM 1749 CA ASN B 51 -19.961 5.317 2.728 1.00 1.23 C ATOM 1750 C ASN B 51 -20.408 6.005 1.449 1.00 1.30 C ATOM 1751 O ASN B 51 -19.793 6.976 0.999 1.00 1.38 O ATOM 1752 CB ASN B 51 -19.669 6.355 3.809 1.00 1.36 C ATOM 1753 CG ASN B 51 -20.840 7.295 4.046 1.00 1.53 C ATOM 1754 OD1 ASN B 51 -22.002 6.906 3.915 1.00 1.46 O ATOM 1755 ND2 ASN B 51 -20.541 8.535 4.395 1.00 2.26 N ATOM 0 H ASN B 51 -17.936 4.864 2.875 1.00 1.09 H new ATOM 0 HA ASN B 51 -20.764 4.670 3.081 1.00 1.23 H new ATOM 0 HB2 ASN B 51 -19.422 5.845 4.740 1.00 1.36 H new ATOM 0 HB3 ASN B 51 -18.793 6.937 3.522 1.00 1.36 H new ATOM 0 HD21 ASN B 51 -21.286 9.210 4.567 1.00 2.26 H new ATOM 0 HD22 ASN B 51 -19.565 8.816 4.492 1.00 2.26 H new ATOM 1762 N MET B 52 -21.455 5.479 0.852 1.00 1.45 N ATOM 1763 CA MET B 52 -21.998 6.042 -0.367 1.00 1.69 C ATOM 1764 C MET B 52 -23.362 6.660 -0.095 1.00 1.96 C ATOM 1765 O MET B 52 -24.330 5.961 0.209 1.00 2.32 O ATOM 1766 CB MET B 52 -22.073 4.966 -1.457 1.00 1.99 C ATOM 1767 CG MET B 52 -22.677 3.651 -0.986 1.00 2.40 C ATOM 1768 SD MET B 52 -22.470 2.321 -2.187 1.00 2.84 S ATOM 1769 CE MET B 52 -23.252 0.970 -1.312 1.00 3.37 C ATOM 0 H MET B 52 -21.951 4.656 1.193 1.00 1.45 H new ATOM 0 HA MET B 52 -21.339 6.833 -0.725 1.00 1.69 H new ATOM 0 HB2 MET B 52 -22.663 5.348 -2.290 1.00 1.99 H new ATOM 0 HB3 MET B 52 -21.069 4.778 -1.837 1.00 1.99 H new ATOM 0 HG2 MET B 52 -22.213 3.360 -0.044 1.00 2.40 H new ATOM 0 HG3 MET B 52 -23.739 3.794 -0.788 1.00 2.40 H new ATOM 0 HE1 MET B 52 -23.209 0.068 -1.922 1.00 3.37 H new ATOM 0 HE2 MET B 52 -22.731 0.797 -0.370 1.00 3.37 H new ATOM 0 HE3 MET B 52 -24.293 1.222 -1.110 1.00 3.37 H new ATOM 1779 N THR B 53 -23.423 7.977 -0.180 1.00 1.96 N ATOM 1780 CA THR B 53 -24.646 8.707 0.102 1.00 2.28 C ATOM 1781 C THR B 53 -25.623 8.577 -1.059 1.00 2.56 C ATOM 1782 O THR B 53 -26.844 8.495 -0.804 1.00 2.83 O ATOM 1783 CB THR B 53 -24.361 10.191 0.411 1.00 2.44 C ATOM 1784 OG1 THR B 53 -25.584 10.891 0.675 1.00 2.57 O ATOM 1785 CG2 THR B 53 -23.620 10.869 -0.733 1.00 3.04 C ATOM 1786 OXT THR B 53 -25.164 8.513 -2.219 1.00 2.96 O ATOM 0 H THR B 53 -22.634 8.566 -0.444 1.00 1.96 H new ATOM 0 HA THR B 53 -25.099 8.268 0.991 1.00 2.28 H new ATOM 0 HB THR B 53 -23.726 10.224 1.296 1.00 2.44 H new ATOM 0 HG1 THR B 53 -25.387 11.831 0.871 1.00 2.57 H new ATOM 0 HG21 THR B 53 -23.437 11.913 -0.480 1.00 3.04 H new ATOM 0 HG22 THR B 53 -22.669 10.364 -0.900 1.00 3.04 H new ATOM 0 HG23 THR B 53 -24.223 10.816 -1.639 1.00 3.04 H new TER 1794 THR B 53