USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 869 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 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 30 ASN : amide:sc= 0.401 K(o=0.4,f=-6.6!) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0808) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -152:sc= -0.19 (180deg=-1.27) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0384 (180deg=-0.224) USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 51 THR OG1 : rot 45:sc= 0.444 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.465 K(o=-0.47,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0474) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0.895 (180deg=0.895) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0334 (180deg=-0.287) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0301 (180deg=-0.259) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -72:sc= 1.2 USER MOD Single : A 111 SER OG : rot 180:sc= -0.113 USER MOD Single : A 116 LYS NZ :NH3+ -174:sc= 0.981 (180deg=0.869) USER MOD Single : A 120 LYS NZ :NH3+ -170:sc=-0.00907 (180deg=-0.138) USER MOD Single : A 123 SER OG : rot -170:sc= -0.0225 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 5.657 -16.393 -0.886 1.00 1.82 N ATOM 2 CA MET A 21 5.838 -15.079 -0.226 1.00 1.48 C ATOM 3 C MET A 21 5.327 -13.963 -1.125 1.00 1.22 C ATOM 4 O MET A 21 6.058 -13.452 -1.975 1.00 1.47 O ATOM 5 CB MET A 21 7.316 -14.843 0.103 1.00 1.86 C ATOM 6 CG MET A 21 7.585 -13.529 0.824 1.00 1.95 C ATOM 7 SD MET A 21 9.337 -13.277 1.173 1.00 2.87 S ATOM 8 CE MET A 21 9.292 -11.708 2.035 1.00 3.09 C ATOM 0 HA MET A 21 5.266 -15.080 0.702 1.00 1.48 H new ATOM 0 HB2 MET A 21 7.677 -15.666 0.721 1.00 1.86 H new ATOM 0 HB3 MET A 21 7.892 -14.863 -0.822 1.00 1.86 H new ATOM 0 HG2 MET A 21 7.217 -12.703 0.216 1.00 1.95 H new ATOM 0 HG3 MET A 21 7.025 -13.511 1.759 1.00 1.95 H new ATOM 0 HE1 MET A 21 10.304 -11.418 2.316 1.00 3.09 H new ATOM 0 HE2 MET A 21 8.865 -10.947 1.383 1.00 3.09 H new ATOM 0 HE3 MET A 21 8.679 -11.803 2.932 1.00 3.09 H new ATOM 17 N ARG A 22 4.071 -13.589 -0.948 1.00 0.88 N ATOM 18 CA ARG A 22 3.479 -12.542 -1.761 1.00 0.73 C ATOM 19 C ARG A 22 3.160 -11.316 -0.922 1.00 0.55 C ATOM 20 O ARG A 22 2.124 -11.245 -0.256 1.00 0.56 O ATOM 21 CB ARG A 22 2.217 -13.042 -2.462 1.00 0.86 C ATOM 22 CG ARG A 22 2.279 -12.931 -3.977 1.00 1.33 C ATOM 23 CD ARG A 22 3.392 -13.791 -4.551 1.00 1.33 C ATOM 24 NE ARG A 22 3.470 -13.694 -6.006 1.00 1.91 N ATOM 25 CZ ARG A 22 4.362 -14.349 -6.746 1.00 2.43 C ATOM 26 NH1 ARG A 22 5.245 -15.156 -6.173 1.00 2.62 N ATOM 27 NH2 ARG A 22 4.368 -14.198 -8.060 1.00 3.31 N ATOM 0 H ARG A 22 3.445 -13.993 -0.252 1.00 0.88 H new ATOM 0 HA ARG A 22 4.209 -12.261 -2.520 1.00 0.73 H new ATOM 0 HB2 ARG A 22 2.048 -14.084 -2.189 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.360 -12.474 -2.099 1.00 0.86 H new ATOM 0 HG2 ARG A 22 1.324 -13.236 -4.405 1.00 1.33 H new ATOM 0 HG3 ARG A 22 2.438 -11.891 -4.261 1.00 1.33 H new ATOM 0 HD2 ARG A 22 4.344 -13.487 -4.117 1.00 1.33 H new ATOM 0 HD3 ARG A 22 3.229 -14.830 -4.266 1.00 1.33 H new ATOM 0 HE ARG A 22 2.802 -13.089 -6.483 1.00 1.91 H new ATOM 0 HH11 ARG A 22 5.243 -15.277 -5.160 1.00 2.62 H new ATOM 0 HH12 ARG A 22 5.926 -15.655 -6.745 1.00 2.62 H new ATOM 0 HH21 ARG A 22 3.690 -13.580 -8.505 1.00 3.31 H new ATOM 0 HH22 ARG A 22 5.051 -14.699 -8.628 1.00 3.31 H new ATOM 41 N LEU A 23 4.072 -10.361 -0.942 1.00 0.51 N ATOM 42 CA LEU A 23 3.863 -9.087 -0.283 1.00 0.43 C ATOM 43 C LEU A 23 3.665 -8.009 -1.337 1.00 0.37 C ATOM 44 O LEU A 23 4.566 -7.726 -2.131 1.00 0.40 O ATOM 45 CB LEU A 23 5.048 -8.743 0.621 1.00 0.58 C ATOM 46 CG LEU A 23 5.290 -9.711 1.785 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.471 -9.252 2.625 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.047 -9.834 2.650 1.00 1.55 C ATOM 0 H LEU A 23 4.973 -10.447 -1.413 1.00 0.51 H new ATOM 0 HA LEU A 23 2.974 -9.149 0.345 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.950 -8.704 0.010 1.00 0.58 H new ATOM 0 HB3 LEU A 23 4.895 -7.743 1.028 1.00 0.58 H new ATOM 0 HG LEU A 23 5.519 -10.692 1.368 1.00 1.05 H new ATOM 0 HD11 LEU A 23 6.627 -9.952 3.446 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.366 -9.215 2.004 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.267 -8.260 3.028 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.241 -10.526 3.470 1.00 1.55 H new ATOM 0 HD22 LEU A 23 3.787 -8.856 3.054 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.220 -10.209 2.047 1.00 1.55 H new ATOM 60 N VAL A 24 2.476 -7.435 -1.355 1.00 0.35 N ATOM 61 CA VAL A 24 2.103 -6.478 -2.383 1.00 0.37 C ATOM 62 C VAL A 24 2.059 -5.070 -1.807 1.00 0.38 C ATOM 63 O VAL A 24 1.507 -4.860 -0.730 1.00 0.42 O ATOM 64 CB VAL A 24 0.722 -6.828 -2.978 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.366 -5.887 -4.121 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.690 -8.278 -3.442 1.00 0.45 C ATOM 0 H VAL A 24 1.747 -7.616 -0.665 1.00 0.35 H new ATOM 0 HA VAL A 24 2.854 -6.523 -3.172 1.00 0.37 H new ATOM 0 HB VAL A 24 -0.026 -6.702 -2.195 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.611 -6.155 -4.522 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.338 -4.861 -3.753 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.116 -5.970 -4.907 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.291 -8.505 -3.858 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.452 -8.433 -4.205 1.00 0.45 H new ATOM 0 HG23 VAL A 24 0.886 -8.935 -2.595 1.00 0.45 H new ATOM 76 N VAL A 25 2.650 -4.113 -2.511 1.00 0.39 N ATOM 77 CA VAL A 25 2.633 -2.728 -2.060 1.00 0.41 C ATOM 78 C VAL A 25 2.059 -1.820 -3.142 1.00 0.39 C ATOM 79 O VAL A 25 2.682 -1.605 -4.182 1.00 0.42 O ATOM 80 CB VAL A 25 4.040 -2.220 -1.673 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.938 -0.902 -0.920 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.792 -3.256 -0.846 1.00 0.52 C ATOM 0 H VAL A 25 3.143 -4.269 -3.390 1.00 0.39 H new ATOM 0 HA VAL A 25 2.002 -2.697 -1.172 1.00 0.41 H new ATOM 0 HB VAL A 25 4.604 -2.054 -2.591 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.937 -0.557 -0.654 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.453 -0.158 -1.552 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.350 -1.046 -0.013 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.778 -2.870 -0.589 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.235 -3.466 0.067 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.901 -4.174 -1.424 1.00 0.52 H new ATOM 92 N LEU A 26 0.870 -1.302 -2.895 1.00 0.40 N ATOM 93 CA LEU A 26 0.224 -0.385 -3.824 1.00 0.38 C ATOM 94 C LEU A 26 0.214 1.017 -3.239 1.00 0.37 C ATOM 95 O LEU A 26 -0.313 1.243 -2.153 1.00 0.48 O ATOM 96 CB LEU A 26 -1.198 -0.854 -4.138 1.00 0.46 C ATOM 97 CG LEU A 26 -1.277 -2.097 -5.023 1.00 0.56 C ATOM 98 CD1 LEU A 26 -2.516 -2.906 -4.698 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.289 -1.700 -6.490 1.00 1.33 C ATOM 0 H LEU A 26 0.327 -1.500 -2.055 1.00 0.40 H new ATOM 0 HA LEU A 26 0.786 -0.370 -4.758 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.714 -1.058 -3.200 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.735 -0.041 -4.627 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.398 -2.711 -4.828 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.554 -3.787 -5.339 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -2.483 -3.218 -3.654 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -3.403 -2.296 -4.867 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.345 -2.596 -7.109 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -2.154 -1.067 -6.688 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -0.376 -1.153 -6.726 1.00 1.33 H new ATOM 111 N ILE A 27 0.810 1.948 -3.957 1.00 0.33 N ATOM 112 CA ILE A 27 0.990 3.301 -3.453 1.00 0.36 C ATOM 113 C ILE A 27 0.409 4.329 -4.427 1.00 0.39 C ATOM 114 O ILE A 27 0.430 4.132 -5.645 1.00 0.40 O ATOM 115 CB ILE A 27 2.494 3.576 -3.184 1.00 0.44 C ATOM 116 CG1 ILE A 27 2.755 5.054 -2.876 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.335 3.115 -4.360 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.189 5.346 -2.489 1.00 1.36 C ATOM 0 H ILE A 27 1.180 1.795 -4.895 1.00 0.33 H new ATOM 0 HA ILE A 27 0.449 3.395 -2.512 1.00 0.36 H new ATOM 0 HB ILE A 27 2.782 3.005 -2.302 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.494 5.651 -3.750 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.097 5.370 -2.067 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.387 3.315 -4.156 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.192 2.045 -4.513 1.00 1.32 H new ATOM 0 HG23 ILE A 27 3.031 3.653 -5.258 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.301 6.411 -2.285 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.448 4.776 -1.597 1.00 1.36 H new ATOM 0 HD13 ILE A 27 4.852 5.061 -3.306 1.00 1.36 H new ATOM 130 N VAL A 28 -0.130 5.410 -3.875 1.00 0.48 N ATOM 131 CA VAL A 28 -0.750 6.467 -4.665 1.00 0.56 C ATOM 132 C VAL A 28 0.303 7.509 -5.058 1.00 0.86 C ATOM 133 O VAL A 28 1.296 7.691 -4.354 1.00 1.37 O ATOM 134 CB VAL A 28 -1.898 7.141 -3.869 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.648 8.157 -4.719 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.858 6.091 -3.329 1.00 1.17 C ATOM 0 H VAL A 28 -0.150 5.578 -2.869 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.171 6.026 -5.569 1.00 0.56 H new ATOM 0 HB VAL A 28 -1.450 7.675 -3.031 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -3.445 8.609 -4.128 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -1.958 8.933 -5.051 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.079 7.658 -5.587 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.658 6.581 -2.773 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.285 5.528 -4.159 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.320 5.412 -2.668 1.00 1.17 H new ATOM 146 N SER A 29 0.082 8.173 -6.189 1.00 0.85 N ATOM 147 CA SER A 29 1.048 9.110 -6.750 1.00 1.25 C ATOM 148 C SER A 29 1.313 10.296 -5.827 1.00 0.83 C ATOM 149 O SER A 29 0.394 10.858 -5.231 1.00 1.53 O ATOM 150 CB SER A 29 0.550 9.603 -8.104 1.00 2.38 C ATOM 151 OG SER A 29 -0.830 9.922 -8.043 1.00 3.23 O ATOM 0 H SER A 29 -0.770 8.076 -6.741 1.00 0.85 H new ATOM 0 HA SER A 29 1.993 8.579 -6.868 1.00 1.25 H new ATOM 0 HB2 SER A 29 1.119 10.482 -8.409 1.00 2.38 H new ATOM 0 HB3 SER A 29 0.718 8.836 -8.860 1.00 2.38 H new ATOM 0 HG SER A 29 -1.132 10.238 -8.920 1.00 3.23 H new ATOM 157 N ASN A 30 2.580 10.667 -5.741 1.00 1.19 N ATOM 158 CA ASN A 30 3.033 11.766 -4.903 1.00 1.67 C ATOM 159 C ASN A 30 4.352 12.260 -5.479 1.00 1.19 C ATOM 160 O ASN A 30 4.731 11.829 -6.572 1.00 1.38 O ATOM 161 CB ASN A 30 3.225 11.293 -3.457 1.00 2.93 C ATOM 162 CG ASN A 30 3.149 12.411 -2.426 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.448 13.572 -2.706 1.00 4.32 O ATOM 164 ND2 ASN A 30 2.762 12.059 -1.209 1.00 4.58 N ATOM 0 H ASN A 30 3.331 10.209 -6.257 1.00 1.19 H new ATOM 0 HA ASN A 30 2.295 12.568 -4.890 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.465 10.547 -3.226 1.00 2.93 H new ATOM 0 HB3 ASN A 30 4.193 10.799 -3.372 1.00 2.93 H new ATOM 0 HD21 ASN A 30 2.705 12.759 -0.470 1.00 4.58 H new ATOM 0 HD22 ASN A 30 2.521 11.088 -1.011 1.00 4.58 H new ATOM 171 N ASP A 31 5.030 13.169 -4.788 1.00 1.45 N ATOM 172 CA ASP A 31 6.369 13.584 -5.192 1.00 1.18 C ATOM 173 C ASP A 31 7.230 12.348 -5.438 1.00 0.94 C ATOM 174 O ASP A 31 7.163 11.369 -4.690 1.00 1.28 O ATOM 175 CB ASP A 31 7.017 14.462 -4.119 1.00 1.61 C ATOM 176 CG ASP A 31 8.317 15.090 -4.590 1.00 1.74 C ATOM 177 OD1 ASP A 31 9.295 14.352 -4.824 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.368 16.333 -4.728 1.00 2.29 O ATOM 0 H ASP A 31 4.677 13.631 -3.950 1.00 1.45 H new ATOM 0 HA ASP A 31 6.291 14.168 -6.109 1.00 1.18 H new ATOM 0 HB2 ASP A 31 6.321 15.249 -3.829 1.00 1.61 H new ATOM 0 HB3 ASP A 31 7.208 13.862 -3.229 1.00 1.61 H new ATOM 183 N LYS A 32 8.030 12.402 -6.493 1.00 0.79 N ATOM 184 CA LYS A 32 8.773 11.242 -6.969 1.00 0.82 C ATOM 185 C LYS A 32 9.768 10.730 -5.932 1.00 0.66 C ATOM 186 O LYS A 32 10.202 9.581 -6.005 1.00 0.68 O ATOM 187 CB LYS A 32 9.490 11.562 -8.285 1.00 1.24 C ATOM 188 CG LYS A 32 8.562 11.632 -9.494 1.00 1.77 C ATOM 189 CD LYS A 32 7.675 12.868 -9.469 1.00 2.22 C ATOM 190 CE LYS A 32 6.611 12.819 -10.555 1.00 3.17 C ATOM 191 NZ LYS A 32 7.194 12.633 -11.910 1.00 3.77 N ATOM 0 H LYS A 32 8.183 13.248 -7.042 1.00 0.79 H new ATOM 0 HA LYS A 32 8.048 10.447 -7.144 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.009 12.515 -8.182 1.00 1.24 H new ATOM 0 HB3 LYS A 32 10.251 10.803 -8.467 1.00 1.24 H new ATOM 0 HG2 LYS A 32 9.157 11.633 -10.407 1.00 1.77 H new ATOM 0 HG3 LYS A 32 7.937 10.739 -9.522 1.00 1.77 H new ATOM 0 HD2 LYS A 32 7.196 12.952 -8.494 1.00 2.22 H new ATOM 0 HD3 LYS A 32 8.289 13.759 -9.601 1.00 2.22 H new ATOM 0 HE2 LYS A 32 5.918 12.004 -10.345 1.00 3.17 H new ATOM 0 HE3 LYS A 32 6.032 13.742 -10.535 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 6.452 12.758 -12.627 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 7.946 13.335 -12.064 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 7.593 11.676 -11.988 1.00 3.77 H new ATOM 205 N LYS A 33 10.112 11.573 -4.963 1.00 0.71 N ATOM 206 CA LYS A 33 10.986 11.161 -3.867 1.00 0.75 C ATOM 207 C LYS A 33 10.347 10.019 -3.082 1.00 0.68 C ATOM 208 O LYS A 33 11.026 9.078 -2.665 1.00 0.78 O ATOM 209 CB LYS A 33 11.265 12.338 -2.930 1.00 0.95 C ATOM 210 CG LYS A 33 12.106 13.445 -3.552 1.00 1.45 C ATOM 211 CD LYS A 33 13.526 12.980 -3.826 1.00 1.86 C ATOM 212 CE LYS A 33 14.391 14.113 -4.350 1.00 2.71 C ATOM 213 NZ LYS A 33 15.796 13.678 -4.572 1.00 3.23 N ATOM 0 H LYS A 33 9.801 12.543 -4.913 1.00 0.71 H new ATOM 0 HA LYS A 33 11.929 10.819 -4.293 1.00 0.75 H new ATOM 0 HB2 LYS A 33 10.315 12.760 -2.602 1.00 0.95 H new ATOM 0 HB3 LYS A 33 11.774 11.967 -2.040 1.00 0.95 H new ATOM 0 HG2 LYS A 33 11.644 13.775 -4.483 1.00 1.45 H new ATOM 0 HG3 LYS A 33 12.127 14.306 -2.884 1.00 1.45 H new ATOM 0 HD2 LYS A 33 13.962 12.581 -2.910 1.00 1.86 H new ATOM 0 HD3 LYS A 33 13.510 12.167 -4.552 1.00 1.86 H new ATOM 0 HE2 LYS A 33 13.974 14.486 -5.285 1.00 2.71 H new ATOM 0 HE3 LYS A 33 14.374 14.941 -3.641 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 16.355 14.479 -4.930 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 16.202 13.346 -3.674 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 15.814 12.905 -5.268 1.00 3.23 H new ATOM 227 N LEU A 34 9.030 10.099 -2.914 1.00 0.61 N ATOM 228 CA LEU A 34 8.284 9.100 -2.160 1.00 0.64 C ATOM 229 C LEU A 34 8.332 7.750 -2.865 1.00 0.53 C ATOM 230 O LEU A 34 8.641 6.727 -2.254 1.00 0.62 O ATOM 231 CB LEU A 34 6.824 9.537 -1.996 1.00 0.70 C ATOM 232 CG LEU A 34 5.954 8.601 -1.151 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.262 8.772 0.324 1.00 1.39 C ATOM 234 CD2 LEU A 34 4.480 8.842 -1.417 1.00 1.38 C ATOM 0 H LEU A 34 8.455 10.852 -3.293 1.00 0.61 H new ATOM 0 HA LEU A 34 8.745 9.005 -1.177 1.00 0.64 H new ATOM 0 HB2 LEU A 34 6.807 10.529 -1.545 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.376 9.629 -2.985 1.00 0.70 H new ATOM 0 HG LEU A 34 6.187 7.575 -1.437 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.634 8.099 0.907 1.00 1.39 H new ATOM 0 HD12 LEU A 34 7.311 8.539 0.506 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.063 9.802 0.620 1.00 1.39 H new ATOM 0 HD21 LEU A 34 3.884 8.165 -0.805 1.00 1.38 H new ATOM 0 HD22 LEU A 34 4.229 9.873 -1.167 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.266 8.662 -2.470 1.00 1.38 H new ATOM 246 N ILE A 35 8.037 7.762 -4.160 1.00 0.43 N ATOM 247 CA ILE A 35 7.962 6.535 -4.943 1.00 0.43 C ATOM 248 C ILE A 35 9.327 5.848 -5.023 1.00 0.46 C ATOM 249 O ILE A 35 9.418 4.626 -4.896 1.00 0.52 O ATOM 250 CB ILE A 35 7.409 6.785 -6.374 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.902 7.085 -6.346 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.670 5.585 -7.275 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.541 8.456 -5.818 1.00 0.97 C ATOM 0 H ILE A 35 7.845 8.611 -4.691 1.00 0.43 H new ATOM 0 HA ILE A 35 7.264 5.877 -4.425 1.00 0.43 H new ATOM 0 HB ILE A 35 7.932 7.654 -6.774 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.506 6.984 -7.357 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.407 6.332 -5.733 1.00 0.57 H new ATOM 0 HG21 ILE A 35 7.274 5.785 -8.271 1.00 0.61 H new ATOM 0 HG22 ILE A 35 8.743 5.406 -7.341 1.00 0.61 H new ATOM 0 HG23 ILE A 35 7.180 4.705 -6.859 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.458 8.579 -5.835 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.902 8.558 -4.795 1.00 0.97 H new ATOM 0 HD13 ILE A 35 6.003 9.220 -6.443 1.00 0.97 H new ATOM 265 N GLU A 36 10.386 6.633 -5.208 1.00 0.51 N ATOM 266 CA GLU A 36 11.730 6.073 -5.322 1.00 0.62 C ATOM 267 C GLU A 36 12.119 5.318 -4.059 1.00 0.63 C ATOM 268 O GLU A 36 12.468 4.142 -4.122 1.00 0.64 O ATOM 269 CB GLU A 36 12.767 7.155 -5.611 1.00 0.79 C ATOM 270 CG GLU A 36 12.576 7.842 -6.952 1.00 0.87 C ATOM 271 CD GLU A 36 13.748 8.724 -7.319 1.00 1.64 C ATOM 272 OE1 GLU A 36 14.642 8.258 -8.057 1.00 2.22 O ATOM 273 OE2 GLU A 36 13.789 9.890 -6.871 1.00 2.42 O ATOM 0 H GLU A 36 10.341 7.649 -5.282 1.00 0.51 H new ATOM 0 HA GLU A 36 11.713 5.377 -6.161 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.727 7.904 -4.820 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.762 6.710 -5.579 1.00 0.79 H new ATOM 0 HG2 GLU A 36 12.435 7.088 -7.727 1.00 0.87 H new ATOM 0 HG3 GLU A 36 11.667 8.443 -6.923 1.00 0.87 H new ATOM 280 N GLU A 37 12.042 5.989 -2.915 1.00 0.68 N ATOM 281 CA GLU A 37 12.442 5.377 -1.655 1.00 0.77 C ATOM 282 C GLU A 37 11.530 4.208 -1.294 1.00 0.71 C ATOM 283 O GLU A 37 11.962 3.244 -0.658 1.00 0.79 O ATOM 284 CB GLU A 37 12.468 6.415 -0.533 1.00 0.91 C ATOM 285 CG GLU A 37 13.596 7.422 -0.688 1.00 1.41 C ATOM 286 CD GLU A 37 13.669 8.414 0.452 1.00 1.84 C ATOM 287 OE1 GLU A 37 13.392 9.609 0.221 1.00 2.30 O ATOM 288 OE2 GLU A 37 14.017 8.006 1.583 1.00 2.53 O ATOM 0 H GLU A 37 11.709 6.950 -2.835 1.00 0.68 H new ATOM 0 HA GLU A 37 13.451 4.984 -1.780 1.00 0.77 H new ATOM 0 HB2 GLU A 37 11.515 6.944 -0.512 1.00 0.91 H new ATOM 0 HB3 GLU A 37 12.571 5.905 0.425 1.00 0.91 H new ATOM 0 HG2 GLU A 37 14.544 6.888 -0.758 1.00 1.41 H new ATOM 0 HG3 GLU A 37 13.465 7.964 -1.625 1.00 1.41 H new ATOM 295 N ALA A 38 10.271 4.287 -1.710 1.00 0.61 N ATOM 296 CA ALA A 38 9.342 3.184 -1.523 1.00 0.60 C ATOM 297 C ALA A 38 9.783 1.977 -2.344 1.00 0.54 C ATOM 298 O ALA A 38 9.785 0.847 -1.854 1.00 0.59 O ATOM 299 CB ALA A 38 7.928 3.604 -1.903 1.00 0.60 C ATOM 0 H ALA A 38 9.873 5.102 -2.177 1.00 0.61 H new ATOM 0 HA ALA A 38 9.342 2.905 -0.469 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.247 2.765 -1.756 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.615 4.439 -1.276 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.908 3.909 -2.949 1.00 0.60 H new ATOM 305 N ARG A 39 10.175 2.227 -3.591 1.00 0.49 N ATOM 306 CA ARG A 39 10.662 1.169 -4.469 1.00 0.53 C ATOM 307 C ARG A 39 11.955 0.565 -3.948 1.00 0.56 C ATOM 308 O ARG A 39 12.127 -0.650 -3.978 1.00 0.59 O ATOM 309 CB ARG A 39 10.889 1.684 -5.887 1.00 0.60 C ATOM 310 CG ARG A 39 9.632 1.740 -6.735 1.00 0.88 C ATOM 311 CD ARG A 39 9.978 1.924 -8.202 1.00 0.95 C ATOM 312 NE ARG A 39 10.939 0.917 -8.660 1.00 1.37 N ATOM 313 CZ ARG A 39 11.134 0.588 -9.934 1.00 1.97 C ATOM 314 NH1 ARG A 39 10.399 1.142 -10.893 1.00 2.23 N ATOM 315 NH2 ARG A 39 12.062 -0.309 -10.246 1.00 2.73 N ATOM 0 H ARG A 39 10.164 3.154 -4.015 1.00 0.49 H new ATOM 0 HA ARG A 39 9.891 0.399 -4.487 1.00 0.53 H new ATOM 0 HB2 ARG A 39 11.323 2.682 -5.834 1.00 0.60 H new ATOM 0 HB3 ARG A 39 11.620 1.044 -6.382 1.00 0.60 H new ATOM 0 HG2 ARG A 39 9.059 0.822 -6.604 1.00 0.88 H new ATOM 0 HG3 ARG A 39 8.999 2.562 -6.400 1.00 0.88 H new ATOM 0 HD2 ARG A 39 9.070 1.860 -8.801 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.393 2.920 -8.356 1.00 0.95 H new ATOM 0 HE ARG A 39 11.496 0.436 -7.954 1.00 1.37 H new ATOM 0 HH11 ARG A 39 9.680 1.825 -10.654 1.00 2.23 H new ATOM 0 HH12 ARG A 39 10.554 0.885 -11.868 1.00 2.23 H new ATOM 0 HH21 ARG A 39 12.621 -0.742 -9.510 1.00 2.73 H new ATOM 0 HH22 ARG A 39 12.216 -0.565 -11.221 1.00 2.73 H new ATOM 329 N LYS A 40 12.859 1.414 -3.474 1.00 0.59 N ATOM 330 CA LYS A 40 14.143 0.950 -2.954 1.00 0.67 C ATOM 331 C LYS A 40 13.930 -0.037 -1.814 1.00 0.65 C ATOM 332 O LYS A 40 14.610 -1.058 -1.729 1.00 0.71 O ATOM 333 CB LYS A 40 14.999 2.129 -2.478 1.00 0.78 C ATOM 334 CG LYS A 40 15.327 3.133 -3.574 1.00 0.83 C ATOM 335 CD LYS A 40 16.069 2.482 -4.731 1.00 1.29 C ATOM 336 CE LYS A 40 16.332 3.472 -5.854 1.00 1.82 C ATOM 337 NZ LYS A 40 17.001 2.829 -7.014 1.00 2.52 N ATOM 0 H LYS A 40 12.729 2.425 -3.438 1.00 0.59 H new ATOM 0 HA LYS A 40 14.672 0.446 -3.762 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.476 2.643 -1.672 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.929 1.745 -2.060 1.00 0.78 H new ATOM 0 HG2 LYS A 40 14.405 3.585 -3.941 1.00 0.83 H new ATOM 0 HG3 LYS A 40 15.934 3.938 -3.160 1.00 0.83 H new ATOM 0 HD2 LYS A 40 17.015 2.075 -4.374 1.00 1.29 H new ATOM 0 HD3 LYS A 40 15.486 1.644 -5.113 1.00 1.29 H new ATOM 0 HE2 LYS A 40 15.389 3.913 -6.177 1.00 1.82 H new ATOM 0 HE3 LYS A 40 16.954 4.286 -5.482 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.163 3.537 -7.758 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 17.913 2.430 -6.712 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 16.397 2.069 -7.386 1.00 2.52 H new ATOM 351 N MET A 41 12.964 0.267 -0.957 1.00 0.64 N ATOM 352 CA MET A 41 12.625 -0.603 0.162 1.00 0.68 C ATOM 353 C MET A 41 11.904 -1.856 -0.317 1.00 0.63 C ATOM 354 O MET A 41 12.134 -2.951 0.196 1.00 0.67 O ATOM 355 CB MET A 41 11.750 0.147 1.162 1.00 0.82 C ATOM 356 CG MET A 41 12.501 1.201 1.951 1.00 0.99 C ATOM 357 SD MET A 41 13.781 0.506 3.016 1.00 1.64 S ATOM 358 CE MET A 41 12.805 -0.585 4.052 1.00 2.61 C ATOM 0 H MET A 41 12.399 1.114 -1.016 1.00 0.64 H new ATOM 0 HA MET A 41 13.552 -0.906 0.648 1.00 0.68 H new ATOM 0 HB2 MET A 41 10.927 0.622 0.628 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.309 -0.569 1.855 1.00 0.82 H new ATOM 0 HG2 MET A 41 12.957 1.909 1.259 1.00 0.99 H new ATOM 0 HG3 MET A 41 11.794 1.763 2.561 1.00 0.99 H new ATOM 0 HE1 MET A 41 13.290 -0.697 5.022 1.00 2.61 H new ATOM 0 HE2 MET A 41 11.810 -0.161 4.191 1.00 2.61 H new ATOM 0 HE3 MET A 41 12.720 -1.561 3.574 1.00 2.61 H new ATOM 368 N ALA A 42 11.035 -1.688 -1.303 1.00 0.60 N ATOM 369 CA ALA A 42 10.286 -2.803 -1.857 1.00 0.64 C ATOM 370 C ALA A 42 11.215 -3.787 -2.557 1.00 0.61 C ATOM 371 O ALA A 42 11.294 -4.953 -2.177 1.00 0.66 O ATOM 372 CB ALA A 42 9.219 -2.300 -2.817 1.00 0.75 C ATOM 0 H ALA A 42 10.832 -0.787 -1.736 1.00 0.60 H new ATOM 0 HA ALA A 42 9.796 -3.326 -1.036 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.667 -3.147 -3.223 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.533 -1.641 -2.285 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.692 -1.751 -3.631 1.00 0.75 H new ATOM 378 N GLU A 43 11.944 -3.302 -3.554 1.00 0.62 N ATOM 379 CA GLU A 43 12.841 -4.144 -4.341 1.00 0.75 C ATOM 380 C GLU A 43 13.943 -4.737 -3.465 1.00 0.71 C ATOM 381 O GLU A 43 14.515 -5.777 -3.792 1.00 0.79 O ATOM 382 CB GLU A 43 13.448 -3.337 -5.491 1.00 0.93 C ATOM 383 CG GLU A 43 12.413 -2.808 -6.476 1.00 1.33 C ATOM 384 CD GLU A 43 13.021 -1.959 -7.576 1.00 1.88 C ATOM 385 OE1 GLU A 43 13.459 -2.524 -8.603 1.00 2.39 O ATOM 386 OE2 GLU A 43 13.057 -0.720 -7.431 1.00 2.57 O ATOM 0 H GLU A 43 11.932 -2.323 -3.840 1.00 0.62 H new ATOM 0 HA GLU A 43 12.261 -4.968 -4.757 1.00 0.75 H new ATOM 0 HB2 GLU A 43 14.008 -2.497 -5.079 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.161 -3.963 -6.027 1.00 0.93 H new ATOM 0 HG2 GLU A 43 11.883 -3.649 -6.924 1.00 1.33 H new ATOM 0 HG3 GLU A 43 11.674 -2.217 -5.935 1.00 1.33 H new ATOM 393 N LYS A 44 14.221 -4.075 -2.344 1.00 0.68 N ATOM 394 CA LYS A 44 15.195 -4.563 -1.372 1.00 0.77 C ATOM 395 C LYS A 44 14.807 -5.951 -0.871 1.00 0.69 C ATOM 396 O LYS A 44 15.644 -6.848 -0.769 1.00 0.80 O ATOM 397 CB LYS A 44 15.284 -3.591 -0.192 1.00 0.92 C ATOM 398 CG LYS A 44 16.241 -4.026 0.905 1.00 1.42 C ATOM 399 CD LYS A 44 16.255 -3.030 2.054 1.00 1.99 C ATOM 400 CE LYS A 44 17.235 -3.444 3.140 1.00 2.49 C ATOM 401 NZ LYS A 44 18.635 -3.485 2.639 1.00 2.98 N ATOM 0 H LYS A 44 13.781 -3.192 -2.086 1.00 0.68 H new ATOM 0 HA LYS A 44 16.167 -4.630 -1.860 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.595 -2.615 -0.563 1.00 0.92 H new ATOM 0 HB3 LYS A 44 14.290 -3.467 0.237 1.00 0.92 H new ATOM 0 HG2 LYS A 44 15.949 -5.008 1.276 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.246 -4.126 0.495 1.00 1.42 H new ATOM 0 HD2 LYS A 44 16.523 -2.043 1.678 1.00 1.99 H new ATOM 0 HD3 LYS A 44 15.254 -2.948 2.478 1.00 1.99 H new ATOM 0 HE2 LYS A 44 17.168 -2.746 3.974 1.00 2.49 H new ATOM 0 HE3 LYS A 44 16.958 -4.426 3.524 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 19.291 -3.536 3.445 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 18.763 -4.322 2.035 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 18.831 -2.626 2.087 1.00 2.98 H new ATOM 415 N ALA A 45 13.528 -6.125 -0.575 1.00 0.61 N ATOM 416 CA ALA A 45 13.026 -7.395 -0.079 1.00 0.64 C ATOM 417 C ALA A 45 12.247 -8.132 -1.162 1.00 0.60 C ATOM 418 O ALA A 45 11.543 -9.108 -0.885 1.00 0.71 O ATOM 419 CB ALA A 45 12.155 -7.168 1.145 1.00 0.76 C ATOM 0 H ALA A 45 12.818 -5.399 -0.670 1.00 0.61 H new ATOM 0 HA ALA A 45 13.876 -8.016 0.204 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.783 -8.126 1.510 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.743 -6.686 1.926 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.313 -6.529 0.879 1.00 0.76 H new ATOM 425 N ASN A 46 12.387 -7.650 -2.398 1.00 0.56 N ATOM 426 CA ASN A 46 11.698 -8.228 -3.556 1.00 0.65 C ATOM 427 C ASN A 46 10.185 -8.122 -3.397 1.00 0.62 C ATOM 428 O ASN A 46 9.446 -9.064 -3.684 1.00 0.80 O ATOM 429 CB ASN A 46 12.109 -9.690 -3.779 1.00 0.83 C ATOM 430 CG ASN A 46 13.459 -9.842 -4.461 1.00 1.46 C ATOM 431 OD1 ASN A 46 14.351 -8.879 -4.270 1.00 2.11 O flip ATOM 432 ND2 ASN A 46 13.699 -10.823 -5.160 1.00 2.22 N flip ATOM 0 H ASN A 46 12.979 -6.851 -2.625 1.00 0.56 H new ATOM 0 HA ASN A 46 11.996 -7.655 -4.434 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.137 -10.202 -2.817 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.348 -10.185 -4.382 1.00 0.83 H new ATOM 0 HD21 ASN A 46 12.990 -11.545 -5.286 1.00 2.22 H new ATOM 0 HD22 ASN A 46 14.607 -10.915 -5.615 1.00 2.22 H new ATOM 439 N LEU A 47 9.735 -6.970 -2.926 1.00 0.48 N ATOM 440 CA LEU A 47 8.313 -6.700 -2.784 1.00 0.48 C ATOM 441 C LEU A 47 7.817 -6.021 -4.050 1.00 0.45 C ATOM 442 O LEU A 47 8.553 -5.249 -4.671 1.00 0.53 O ATOM 443 CB LEU A 47 8.044 -5.789 -1.579 1.00 0.51 C ATOM 444 CG LEU A 47 8.789 -6.143 -0.289 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.383 -5.202 0.835 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.532 -7.587 0.110 1.00 1.11 C ATOM 0 H LEU A 47 10.339 -6.202 -2.634 1.00 0.48 H new ATOM 0 HA LEU A 47 7.788 -7.642 -2.624 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.304 -4.767 -1.856 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.974 -5.801 -1.372 1.00 0.51 H new ATOM 0 HG LEU A 47 9.857 -6.027 -0.473 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.922 -5.468 1.744 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.625 -4.176 0.556 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.311 -5.287 1.011 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.073 -7.812 1.029 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.464 -7.735 0.271 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.874 -8.250 -0.684 1.00 1.11 H new ATOM 458 N GLU A 48 6.585 -6.299 -4.436 1.00 0.43 N ATOM 459 CA GLU A 48 6.045 -5.719 -5.651 1.00 0.47 C ATOM 460 C GLU A 48 5.435 -4.347 -5.374 1.00 0.45 C ATOM 461 O GLU A 48 4.318 -4.224 -4.867 1.00 0.49 O ATOM 462 CB GLU A 48 5.039 -6.670 -6.313 1.00 0.58 C ATOM 463 CG GLU A 48 3.948 -7.188 -5.392 1.00 0.80 C ATOM 464 CD GLU A 48 3.171 -8.323 -6.019 1.00 1.27 C ATOM 465 OE1 GLU A 48 2.267 -8.050 -6.836 1.00 2.13 O ATOM 466 OE2 GLU A 48 3.469 -9.495 -5.711 1.00 1.74 O ATOM 0 H GLU A 48 5.947 -6.915 -3.933 1.00 0.43 H new ATOM 0 HA GLU A 48 6.864 -5.574 -6.356 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.572 -6.155 -7.152 1.00 0.58 H new ATOM 0 HB3 GLU A 48 5.582 -7.521 -6.724 1.00 0.58 H new ATOM 0 HG2 GLU A 48 4.393 -7.527 -4.457 1.00 0.80 H new ATOM 0 HG3 GLU A 48 3.266 -6.375 -5.144 1.00 0.80 H new ATOM 473 N LEU A 49 6.212 -3.321 -5.691 1.00 0.46 N ATOM 474 CA LEU A 49 5.794 -1.939 -5.532 1.00 0.50 C ATOM 475 C LEU A 49 5.072 -1.496 -6.798 1.00 0.45 C ATOM 476 O LEU A 49 5.664 -1.473 -7.879 1.00 0.54 O ATOM 477 CB LEU A 49 7.033 -1.061 -5.278 1.00 0.67 C ATOM 478 CG LEU A 49 6.794 0.347 -4.703 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.055 1.238 -5.684 1.00 1.49 C ATOM 480 CD2 LEU A 49 6.041 0.272 -3.387 1.00 0.99 C ATOM 0 H LEU A 49 7.154 -3.426 -6.067 1.00 0.46 H new ATOM 0 HA LEU A 49 5.117 -1.840 -4.683 1.00 0.50 H new ATOM 0 HB2 LEU A 49 7.692 -1.597 -4.595 1.00 0.67 H new ATOM 0 HB3 LEU A 49 7.570 -0.954 -6.221 1.00 0.67 H new ATOM 0 HG LEU A 49 7.772 0.792 -4.522 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.906 2.222 -5.240 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.640 1.337 -6.598 1.00 1.49 H new ATOM 0 HD13 LEU A 49 5.087 0.796 -5.919 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.884 1.279 -3.000 1.00 0.99 H new ATOM 0 HD22 LEU A 49 5.077 -0.210 -3.547 1.00 0.99 H new ATOM 0 HD23 LEU A 49 6.621 -0.307 -2.668 1.00 0.99 H new ATOM 492 N ILE A 50 3.798 -1.162 -6.668 1.00 0.39 N ATOM 493 CA ILE A 50 2.999 -0.737 -7.809 1.00 0.43 C ATOM 494 C ILE A 50 2.275 0.576 -7.505 1.00 0.40 C ATOM 495 O ILE A 50 1.704 0.749 -6.427 1.00 0.37 O ATOM 496 CB ILE A 50 1.960 -1.813 -8.206 1.00 0.50 C ATOM 497 CG1 ILE A 50 2.646 -3.141 -8.553 1.00 0.60 C ATOM 498 CG2 ILE A 50 1.123 -1.334 -9.383 1.00 0.62 C ATOM 499 CD1 ILE A 50 3.525 -3.076 -9.785 1.00 1.31 C ATOM 0 H ILE A 50 3.293 -1.177 -5.782 1.00 0.39 H new ATOM 0 HA ILE A 50 3.684 -0.589 -8.643 1.00 0.43 H new ATOM 0 HB ILE A 50 1.306 -1.980 -7.350 1.00 0.50 H new ATOM 0 HG12 ILE A 50 3.251 -3.459 -7.704 1.00 0.60 H new ATOM 0 HG13 ILE A 50 1.883 -3.904 -8.704 1.00 0.60 H new ATOM 0 HG21 ILE A 50 0.397 -2.102 -9.650 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.598 -0.419 -9.108 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.773 -1.137 -10.236 1.00 0.62 H new ATOM 0 HD11 ILE A 50 3.974 -4.053 -9.964 1.00 1.31 H new ATOM 0 HD12 ILE A 50 2.922 -2.790 -10.647 1.00 1.31 H new ATOM 0 HD13 ILE A 50 4.312 -2.338 -9.632 1.00 1.31 H new ATOM 511 N THR A 51 2.312 1.497 -8.456 1.00 0.48 N ATOM 512 CA THR A 51 1.658 2.788 -8.306 1.00 0.52 C ATOM 513 C THR A 51 0.357 2.836 -9.114 1.00 0.56 C ATOM 514 O THR A 51 0.392 3.020 -10.331 1.00 0.66 O ATOM 515 CB THR A 51 2.593 3.923 -8.785 1.00 0.63 C ATOM 516 OG1 THR A 51 3.109 3.609 -10.085 1.00 1.19 O ATOM 517 CG2 THR A 51 3.752 4.137 -7.826 1.00 1.20 C ATOM 0 H THR A 51 2.792 1.372 -9.347 1.00 0.48 H new ATOM 0 HA THR A 51 1.428 2.925 -7.249 1.00 0.52 H new ATOM 0 HB THR A 51 2.007 4.841 -8.823 1.00 0.63 H new ATOM 0 HG1 THR A 51 2.384 3.274 -10.653 1.00 1.19 H new ATOM 0 HG21 THR A 51 4.387 4.942 -8.196 1.00 1.20 H new ATOM 0 HG22 THR A 51 3.366 4.403 -6.842 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.336 3.220 -7.751 1.00 1.20 H new ATOM 525 N VAL A 52 -0.789 2.662 -8.457 1.00 0.68 N ATOM 526 CA VAL A 52 -2.071 2.754 -9.161 1.00 0.78 C ATOM 527 C VAL A 52 -2.956 3.836 -8.543 1.00 0.85 C ATOM 528 O VAL A 52 -3.816 3.549 -7.709 1.00 1.66 O ATOM 529 CB VAL A 52 -2.839 1.410 -9.112 1.00 1.35 C ATOM 530 CG1 VAL A 52 -4.116 1.472 -9.937 1.00 1.77 C ATOM 531 CG2 VAL A 52 -1.961 0.263 -9.579 1.00 1.95 C ATOM 0 H VAL A 52 -0.859 2.461 -7.460 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.845 3.006 -10.197 1.00 0.78 H new ATOM 0 HB VAL A 52 -3.116 1.230 -8.073 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.632 0.513 -9.882 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -4.764 2.256 -9.545 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -3.868 1.691 -10.975 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.525 -0.669 -9.534 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -1.641 0.444 -10.605 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.086 0.188 -8.933 1.00 1.95 H new ATOM 541 N PRO A 53 -2.741 5.103 -8.921 1.00 0.73 N ATOM 542 CA PRO A 53 -3.611 6.200 -8.532 1.00 0.90 C ATOM 543 C PRO A 53 -4.746 6.471 -9.521 1.00 0.88 C ATOM 544 O PRO A 53 -4.509 7.031 -10.597 1.00 1.64 O ATOM 545 CB PRO A 53 -2.640 7.373 -8.500 1.00 1.83 C ATOM 546 CG PRO A 53 -1.625 7.068 -9.557 1.00 2.29 C ATOM 547 CD PRO A 53 -1.631 5.572 -9.765 1.00 1.49 C ATOM 0 HA PRO A 53 -4.130 5.998 -7.595 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -3.151 8.314 -8.704 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -2.172 7.471 -7.520 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -1.868 7.586 -10.485 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -0.636 7.410 -9.251 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -1.789 5.315 -10.812 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -0.684 5.123 -9.466 1.00 1.49 H new ATOM 555 N GLY A 54 -5.969 6.085 -9.196 1.00 1.49 N ATOM 556 CA GLY A 54 -7.094 6.687 -9.882 1.00 2.14 C ATOM 557 C GLY A 54 -8.096 7.251 -8.905 1.00 1.80 C ATOM 558 O GLY A 54 -8.496 8.412 -8.992 1.00 2.08 O ATOM 0 H GLY A 54 -6.201 5.386 -8.490 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -6.739 7.480 -10.540 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -7.578 5.942 -10.513 1.00 2.14 H new ATOM 562 N SER A 55 -8.504 6.404 -7.977 1.00 1.36 N ATOM 563 CA SER A 55 -9.200 6.814 -6.776 1.00 0.97 C ATOM 564 C SER A 55 -8.402 6.354 -5.559 1.00 0.64 C ATOM 565 O SER A 55 -7.451 5.586 -5.715 1.00 0.50 O ATOM 566 CB SER A 55 -10.617 6.235 -6.763 1.00 1.19 C ATOM 567 OG SER A 55 -11.325 6.625 -7.928 1.00 1.75 O ATOM 0 H SER A 55 -8.357 5.397 -8.040 1.00 1.36 H new ATOM 0 HA SER A 55 -9.288 7.900 -6.749 1.00 0.97 H new ATOM 0 HB2 SER A 55 -10.571 5.147 -6.706 1.00 1.19 H new ATOM 0 HB3 SER A 55 -11.148 6.579 -5.876 1.00 1.19 H new ATOM 0 HG SER A 55 -12.228 6.245 -7.905 1.00 1.75 H new ATOM 573 N PRO A 56 -8.758 6.783 -4.342 1.00 0.66 N ATOM 574 CA PRO A 56 -8.221 6.163 -3.133 1.00 0.58 C ATOM 575 C PRO A 56 -8.652 4.700 -3.050 1.00 0.53 C ATOM 576 O PRO A 56 -7.828 3.806 -2.852 1.00 0.62 O ATOM 577 CB PRO A 56 -8.832 6.972 -1.984 1.00 0.70 C ATOM 578 CG PRO A 56 -9.351 8.223 -2.605 1.00 1.09 C ATOM 579 CD PRO A 56 -9.653 7.908 -4.041 1.00 0.87 C ATOM 0 HA PRO A 56 -7.131 6.169 -3.109 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -9.632 6.416 -1.496 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -8.086 7.194 -1.221 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -10.247 8.566 -2.089 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -8.615 9.024 -2.532 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -10.699 7.637 -4.181 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -9.456 8.762 -4.689 1.00 0.87 H new ATOM 587 N GLU A 57 -9.951 4.464 -3.253 1.00 0.62 N ATOM 588 CA GLU A 57 -10.513 3.114 -3.229 1.00 0.80 C ATOM 589 C GLU A 57 -9.949 2.250 -4.352 1.00 0.67 C ATOM 590 O GLU A 57 -9.934 1.026 -4.245 1.00 0.67 O ATOM 591 CB GLU A 57 -12.035 3.160 -3.359 1.00 1.14 C ATOM 592 CG GLU A 57 -12.749 3.717 -2.140 1.00 1.80 C ATOM 593 CD GLU A 57 -14.245 3.798 -2.349 1.00 1.95 C ATOM 594 OE1 GLU A 57 -14.720 4.836 -2.845 1.00 2.06 O ATOM 595 OE2 GLU A 57 -14.951 2.814 -2.036 1.00 2.70 O ATOM 0 H GLU A 57 -10.636 5.197 -3.437 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.237 2.672 -2.272 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -12.296 3.766 -4.227 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -12.402 2.152 -3.552 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.537 3.087 -1.276 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -12.360 4.710 -1.914 1.00 1.80 H new ATOM 602 N GLU A 58 -9.488 2.890 -5.422 1.00 0.61 N ATOM 603 CA GLU A 58 -8.974 2.174 -6.586 1.00 0.56 C ATOM 604 C GLU A 58 -7.841 1.239 -6.182 1.00 0.50 C ATOM 605 O GLU A 58 -7.859 0.048 -6.497 1.00 0.54 O ATOM 606 CB GLU A 58 -8.476 3.165 -7.638 1.00 0.62 C ATOM 607 CG GLU A 58 -8.132 2.524 -8.971 1.00 1.18 C ATOM 608 CD GLU A 58 -9.361 2.048 -9.716 1.00 1.57 C ATOM 609 OE1 GLU A 58 -9.896 2.821 -10.534 1.00 2.30 O ATOM 610 OE2 GLU A 58 -9.799 0.903 -9.485 1.00 2.01 O ATOM 0 H GLU A 58 -9.460 3.906 -5.508 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.785 1.581 -7.009 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -9.241 3.925 -7.798 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.594 3.676 -7.253 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -7.592 3.242 -9.588 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -7.462 1.680 -8.804 1.00 1.18 H new ATOM 617 N ALA A 59 -6.870 1.788 -5.464 1.00 0.52 N ATOM 618 CA ALA A 59 -5.730 1.014 -4.998 1.00 0.59 C ATOM 619 C ALA A 59 -6.164 -0.040 -3.983 1.00 0.50 C ATOM 620 O ALA A 59 -5.588 -1.124 -3.919 1.00 0.50 O ATOM 621 CB ALA A 59 -4.682 1.934 -4.391 1.00 0.78 C ATOM 0 H ALA A 59 -6.851 2.771 -5.191 1.00 0.52 H new ATOM 0 HA ALA A 59 -5.294 0.500 -5.854 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.834 1.342 -4.046 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.345 2.647 -5.143 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.115 2.473 -3.548 1.00 0.78 H new ATOM 627 N ILE A 60 -7.196 0.275 -3.207 1.00 0.51 N ATOM 628 CA ILE A 60 -7.678 -0.638 -2.176 1.00 0.52 C ATOM 629 C ILE A 60 -8.350 -1.847 -2.815 1.00 0.50 C ATOM 630 O ILE A 60 -8.117 -2.988 -2.420 1.00 0.52 O ATOM 631 CB ILE A 60 -8.692 0.028 -1.219 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.299 1.473 -0.898 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.807 -0.785 0.061 1.00 0.74 C ATOM 634 CD1 ILE A 60 -6.889 1.633 -0.383 1.00 1.03 C ATOM 0 H ILE A 60 -7.713 1.152 -3.272 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.804 -0.938 -1.598 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.660 0.054 -1.719 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -8.416 2.077 -1.798 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -8.992 1.869 -0.156 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.523 -0.310 0.731 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.147 -1.793 -0.177 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.833 -0.836 0.548 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.693 2.686 -0.181 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -6.770 1.059 0.536 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.185 1.270 -1.132 1.00 1.03 H new ATOM 646 N ARG A 61 -9.183 -1.581 -3.810 1.00 0.51 N ATOM 647 CA ARG A 61 -9.892 -2.636 -4.519 1.00 0.57 C ATOM 648 C ARG A 61 -8.917 -3.456 -5.354 1.00 0.55 C ATOM 649 O ARG A 61 -9.113 -4.652 -5.560 1.00 0.67 O ATOM 650 CB ARG A 61 -10.986 -2.039 -5.404 1.00 0.63 C ATOM 651 CG ARG A 61 -12.016 -1.240 -4.625 1.00 0.68 C ATOM 652 CD ARG A 61 -13.048 -0.603 -5.540 1.00 0.85 C ATOM 653 NE ARG A 61 -13.915 0.320 -4.814 1.00 1.75 N ATOM 654 CZ ARG A 61 -14.958 0.951 -5.349 1.00 2.33 C ATOM 655 NH1 ARG A 61 -15.303 0.722 -6.608 1.00 2.28 N ATOM 656 NH2 ARG A 61 -15.662 1.803 -4.615 1.00 3.35 N ATOM 0 H ARG A 61 -9.385 -0.639 -4.146 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.362 -3.295 -3.788 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.527 -1.394 -6.153 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -11.489 -2.843 -5.941 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.518 -1.893 -3.911 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.513 -0.464 -4.049 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -12.542 -0.070 -6.345 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -13.653 -1.382 -6.005 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.708 0.493 -3.830 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.769 0.060 -7.171 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -16.103 1.208 -7.014 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -15.404 1.973 -3.643 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -16.462 2.288 -5.023 1.00 3.35 H new ATOM 670 N LEU A 62 -7.856 -2.802 -5.820 1.00 0.47 N ATOM 671 CA LEU A 62 -6.793 -3.480 -6.550 1.00 0.50 C ATOM 672 C LEU A 62 -6.081 -4.441 -5.602 1.00 0.43 C ATOM 673 O LEU A 62 -5.791 -5.585 -5.952 1.00 0.45 O ATOM 674 CB LEU A 62 -5.801 -2.451 -7.114 1.00 0.59 C ATOM 675 CG LEU A 62 -5.239 -2.741 -8.514 1.00 0.69 C ATOM 676 CD1 LEU A 62 -4.534 -4.087 -8.560 1.00 1.22 C ATOM 677 CD2 LEU A 62 -6.343 -2.680 -9.557 1.00 1.03 C ATOM 0 H LEU A 62 -7.711 -1.799 -5.703 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.216 -4.039 -7.385 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.294 -1.479 -7.138 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.964 -2.367 -6.420 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.502 -1.971 -8.743 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -4.148 -4.261 -9.564 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -3.708 -4.090 -7.848 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -5.239 -4.876 -8.300 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -5.925 -2.888 -10.542 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -7.106 -3.422 -9.323 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -6.790 -1.686 -9.555 1.00 1.03 H new ATOM 689 N ALA A 63 -5.822 -3.958 -4.392 1.00 0.41 N ATOM 690 CA ALA A 63 -5.210 -4.763 -3.343 1.00 0.42 C ATOM 691 C ALA A 63 -6.066 -5.980 -3.026 1.00 0.46 C ATOM 692 O ALA A 63 -5.568 -7.104 -2.969 1.00 0.49 O ATOM 693 CB ALA A 63 -5.019 -3.923 -2.094 1.00 0.49 C ATOM 0 H ALA A 63 -6.030 -3.000 -4.112 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.239 -5.110 -3.696 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.561 -4.531 -1.313 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.372 -3.076 -2.321 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -5.987 -3.558 -1.749 1.00 0.49 H new ATOM 699 N GLN A 64 -7.356 -5.735 -2.820 1.00 0.52 N ATOM 700 CA GLN A 64 -8.320 -6.796 -2.554 1.00 0.64 C ATOM 701 C GLN A 64 -8.295 -7.821 -3.686 1.00 0.62 C ATOM 702 O GLN A 64 -8.212 -9.023 -3.442 1.00 0.69 O ATOM 703 CB GLN A 64 -9.718 -6.174 -2.390 1.00 0.77 C ATOM 704 CG GLN A 64 -10.826 -7.142 -1.983 1.00 1.11 C ATOM 705 CD GLN A 64 -11.448 -7.871 -3.158 1.00 1.39 C ATOM 706 OE1 GLN A 64 -11.052 -8.982 -3.509 1.00 1.95 O ATOM 707 NE2 GLN A 64 -12.419 -7.240 -3.790 1.00 2.12 N ATOM 0 H GLN A 64 -7.761 -4.799 -2.833 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.059 -7.316 -1.632 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.659 -5.383 -1.643 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.999 -5.703 -3.332 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.421 -7.874 -1.284 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -11.603 -6.591 -1.453 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.722 -6.320 -3.471 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -12.867 -7.672 -4.598 1.00 2.12 H new ATOM 716 N GLU A 65 -8.338 -7.325 -4.919 1.00 0.58 N ATOM 717 CA GLU A 65 -8.297 -8.175 -6.102 1.00 0.63 C ATOM 718 C GLU A 65 -7.066 -9.075 -6.091 1.00 0.55 C ATOM 719 O GLU A 65 -7.178 -10.291 -6.231 1.00 0.62 O ATOM 720 CB GLU A 65 -8.302 -7.309 -7.362 1.00 0.69 C ATOM 721 CG GLU A 65 -8.276 -8.105 -8.653 1.00 1.24 C ATOM 722 CD GLU A 65 -8.328 -7.219 -9.875 1.00 1.50 C ATOM 723 OE1 GLU A 65 -9.429 -6.744 -10.219 1.00 2.21 O ATOM 724 OE2 GLU A 65 -7.273 -6.996 -10.503 1.00 1.95 O ATOM 0 H GLU A 65 -8.402 -6.328 -5.125 1.00 0.58 H new ATOM 0 HA GLU A 65 -9.181 -8.813 -6.096 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -9.190 -6.677 -7.354 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.438 -6.645 -7.338 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -7.371 -8.711 -8.685 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -9.121 -8.793 -8.670 1.00 1.24 H new ATOM 731 N ILE A 66 -5.895 -8.476 -5.913 1.00 0.46 N ATOM 732 CA ILE A 66 -4.650 -9.233 -5.902 1.00 0.46 C ATOM 733 C ILE A 66 -4.639 -10.250 -4.765 1.00 0.43 C ATOM 734 O ILE A 66 -4.283 -11.406 -4.968 1.00 0.48 O ATOM 735 CB ILE A 66 -3.417 -8.311 -5.783 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.359 -7.349 -6.973 1.00 0.66 C ATOM 737 CG2 ILE A 66 -2.137 -9.136 -5.707 1.00 0.64 C ATOM 738 CD1 ILE A 66 -2.209 -6.365 -6.904 1.00 0.53 C ATOM 0 H ILE A 66 -5.782 -7.472 -5.775 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.593 -9.759 -6.855 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.507 -7.729 -4.866 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -3.276 -7.928 -7.893 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -4.297 -6.796 -7.028 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.279 -8.469 -5.624 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -2.176 -9.788 -4.835 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -2.040 -9.741 -6.608 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -2.232 -5.716 -7.780 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.301 -5.760 -6.002 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -1.265 -6.910 -6.881 1.00 0.53 H new ATOM 750 N ALA A 67 -5.062 -9.821 -3.584 1.00 0.44 N ATOM 751 CA ALA A 67 -5.063 -10.686 -2.409 1.00 0.51 C ATOM 752 C ALA A 67 -6.019 -11.864 -2.583 1.00 0.55 C ATOM 753 O ALA A 67 -5.719 -12.986 -2.170 1.00 0.63 O ATOM 754 CB ALA A 67 -5.426 -9.885 -1.172 1.00 0.60 C ATOM 0 H ALA A 67 -5.410 -8.878 -3.412 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.059 -11.092 -2.288 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.424 -10.540 -0.301 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.697 -9.087 -1.028 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.418 -9.451 -1.297 1.00 0.60 H new ATOM 760 N GLU A 68 -7.167 -11.600 -3.193 1.00 0.60 N ATOM 761 CA GLU A 68 -8.162 -12.634 -3.455 1.00 0.73 C ATOM 762 C GLU A 68 -7.647 -13.634 -4.484 1.00 0.73 C ATOM 763 O GLU A 68 -7.734 -14.846 -4.293 1.00 0.87 O ATOM 764 CB GLU A 68 -9.455 -11.993 -3.967 1.00 0.83 C ATOM 765 CG GLU A 68 -10.539 -12.993 -4.336 1.00 1.10 C ATOM 766 CD GLU A 68 -11.129 -13.693 -3.131 1.00 1.71 C ATOM 767 OE1 GLU A 68 -12.118 -13.175 -2.570 1.00 2.46 O ATOM 768 OE2 GLU A 68 -10.622 -14.768 -2.748 1.00 2.22 O ATOM 0 H GLU A 68 -7.434 -10.671 -3.518 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.359 -13.164 -2.523 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.842 -11.320 -3.202 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.225 -11.384 -4.841 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -11.333 -12.477 -4.876 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.124 -13.738 -5.015 1.00 1.10 H new ATOM 775 N LYS A 69 -7.103 -13.115 -5.574 1.00 0.65 N ATOM 776 CA LYS A 69 -6.683 -13.949 -6.689 1.00 0.71 C ATOM 777 C LYS A 69 -5.341 -14.621 -6.409 1.00 0.73 C ATOM 778 O LYS A 69 -4.922 -15.519 -7.140 1.00 0.92 O ATOM 779 CB LYS A 69 -6.608 -13.110 -7.967 1.00 0.73 C ATOM 780 CG LYS A 69 -7.901 -12.370 -8.283 1.00 0.77 C ATOM 781 CD LYS A 69 -9.054 -13.326 -8.540 1.00 1.29 C ATOM 782 CE LYS A 69 -10.365 -12.582 -8.747 1.00 1.73 C ATOM 783 NZ LYS A 69 -10.346 -11.735 -9.969 1.00 2.41 N ATOM 0 H LYS A 69 -6.942 -12.117 -5.710 1.00 0.65 H new ATOM 0 HA LYS A 69 -7.423 -14.738 -6.822 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.799 -12.386 -7.870 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -6.356 -13.760 -8.805 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -8.154 -11.711 -7.452 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -7.752 -11.737 -9.158 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -8.836 -13.931 -9.420 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -9.153 -14.011 -7.698 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -11.181 -13.301 -8.819 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -10.567 -11.957 -7.877 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -11.291 -11.328 -10.124 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -9.654 -10.968 -9.849 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -10.080 -12.316 -10.790 1.00 2.41 H new ATOM 797 N ALA A 70 -4.678 -14.189 -5.345 1.00 0.67 N ATOM 798 CA ALA A 70 -3.396 -14.758 -4.962 1.00 0.71 C ATOM 799 C ALA A 70 -3.579 -16.096 -4.261 1.00 0.69 C ATOM 800 O ALA A 70 -4.369 -16.207 -3.320 1.00 0.68 O ATOM 801 CB ALA A 70 -2.640 -13.810 -4.053 1.00 0.78 C ATOM 0 H ALA A 70 -5.009 -13.445 -4.731 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.820 -14.915 -5.874 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.684 -14.255 -3.778 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.466 -12.868 -4.573 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.226 -13.624 -3.153 1.00 0.78 H new ATOM 807 N PRO A 71 -2.871 -17.135 -4.719 1.00 0.84 N ATOM 808 CA PRO A 71 -2.889 -18.446 -4.079 1.00 0.90 C ATOM 809 C PRO A 71 -2.072 -18.471 -2.796 1.00 0.81 C ATOM 810 O PRO A 71 -0.840 -18.399 -2.821 1.00 0.93 O ATOM 811 CB PRO A 71 -2.247 -19.374 -5.121 1.00 1.19 C ATOM 812 CG PRO A 71 -2.144 -18.561 -6.363 1.00 1.34 C ATOM 813 CD PRO A 71 -2.024 -17.142 -5.912 1.00 1.08 C ATOM 0 HA PRO A 71 -3.900 -18.736 -3.793 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -1.265 -19.715 -4.792 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -2.856 -20.264 -5.283 1.00 1.19 H new ATOM 0 HG2 PRO A 71 -1.278 -18.858 -6.954 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -3.022 -18.698 -6.994 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.993 -16.871 -5.683 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -2.377 -16.441 -6.668 1.00 1.08 H new ATOM 821 N GLY A 72 -2.765 -18.551 -1.681 1.00 0.75 N ATOM 822 CA GLY A 72 -2.104 -18.759 -0.410 1.00 0.77 C ATOM 823 C GLY A 72 -2.055 -17.516 0.453 1.00 0.63 C ATOM 824 O GLY A 72 -2.730 -16.524 0.159 1.00 0.62 O ATOM 0 H GLY A 72 -3.781 -18.476 -1.628 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -2.620 -19.550 0.134 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -1.087 -19.107 -0.591 1.00 0.77 H new ATOM 828 N PRO A 73 -1.258 -17.549 1.534 1.00 0.61 N ATOM 829 CA PRO A 73 -1.137 -16.439 2.482 1.00 0.58 C ATOM 830 C PRO A 73 -0.472 -15.215 1.865 1.00 0.48 C ATOM 831 O PRO A 73 0.677 -15.273 1.422 1.00 0.54 O ATOM 832 CB PRO A 73 -0.255 -17.004 3.606 1.00 0.71 C ATOM 833 CG PRO A 73 -0.244 -18.480 3.397 1.00 0.90 C ATOM 834 CD PRO A 73 -0.409 -18.683 1.922 1.00 0.73 C ATOM 0 HA PRO A 73 -2.116 -16.099 2.820 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.753 -16.593 3.558 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.657 -16.749 4.587 1.00 0.71 H new ATOM 0 HG2 PRO A 73 0.689 -18.918 3.750 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -1.051 -18.960 3.951 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.549 -18.669 1.402 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.881 -19.639 1.695 1.00 0.73 H new ATOM 842 N VAL A 74 -1.197 -14.111 1.843 1.00 0.48 N ATOM 843 CA VAL A 74 -0.677 -12.866 1.305 1.00 0.46 C ATOM 844 C VAL A 74 -0.870 -11.732 2.293 1.00 0.44 C ATOM 845 O VAL A 74 -1.639 -11.850 3.247 1.00 0.56 O ATOM 846 CB VAL A 74 -1.347 -12.484 -0.029 1.00 0.62 C ATOM 847 CG1 VAL A 74 -0.946 -13.453 -1.121 1.00 1.50 C ATOM 848 CG2 VAL A 74 -2.859 -12.445 0.117 1.00 1.31 C ATOM 0 H VAL A 74 -2.153 -14.051 2.194 1.00 0.48 H new ATOM 0 HA VAL A 74 0.386 -13.026 1.125 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.005 -11.487 -0.307 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -1.429 -13.168 -2.056 1.00 1.50 H new ATOM 0 HG12 VAL A 74 0.136 -13.429 -1.249 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -1.257 -14.461 -0.845 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -3.310 -12.173 -0.837 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -3.220 -13.427 0.422 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -3.133 -11.707 0.871 1.00 1.31 H new ATOM 858 N LYS A 75 -0.154 -10.648 2.067 1.00 0.44 N ATOM 859 CA LYS A 75 -0.267 -9.465 2.896 1.00 0.52 C ATOM 860 C LYS A 75 -0.024 -8.234 2.038 1.00 0.42 C ATOM 861 O LYS A 75 1.098 -7.982 1.599 1.00 0.45 O ATOM 862 CB LYS A 75 0.736 -9.535 4.047 1.00 0.76 C ATOM 863 CG LYS A 75 0.623 -8.394 5.047 1.00 1.20 C ATOM 864 CD LYS A 75 1.618 -8.563 6.186 1.00 1.52 C ATOM 865 CE LYS A 75 1.336 -9.823 6.992 1.00 1.90 C ATOM 866 NZ LYS A 75 2.420 -10.126 7.960 1.00 2.58 N ATOM 0 H LYS A 75 0.520 -10.563 1.306 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.267 -9.406 3.325 1.00 0.52 H new ATOM 0 HB2 LYS A 75 0.601 -10.479 4.574 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.745 -9.542 3.634 1.00 0.76 H new ATOM 0 HG2 LYS A 75 0.802 -7.445 4.542 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -0.390 -8.356 5.448 1.00 1.20 H new ATOM 0 HD2 LYS A 75 2.630 -8.607 5.783 1.00 1.52 H new ATOM 0 HD3 LYS A 75 1.573 -7.693 6.841 1.00 1.52 H new ATOM 0 HE2 LYS A 75 0.395 -9.705 7.529 1.00 1.90 H new ATOM 0 HE3 LYS A 75 1.212 -10.666 6.313 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 2.168 -10.973 8.509 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 3.307 -10.298 7.445 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 2.545 -9.320 8.605 1.00 2.58 H new ATOM 880 N VAL A 76 -1.084 -7.495 1.766 1.00 0.42 N ATOM 881 CA VAL A 76 -0.987 -6.337 0.903 1.00 0.39 C ATOM 882 C VAL A 76 -0.929 -5.053 1.723 1.00 0.38 C ATOM 883 O VAL A 76 -1.777 -4.809 2.586 1.00 0.50 O ATOM 884 CB VAL A 76 -2.172 -6.252 -0.081 1.00 0.53 C ATOM 885 CG1 VAL A 76 -1.973 -5.103 -1.059 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.356 -7.569 -0.822 1.00 1.16 C ATOM 0 H VAL A 76 -2.019 -7.677 2.130 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.067 -6.449 0.330 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.079 -6.059 0.492 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.819 -5.059 -1.745 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.903 -4.165 -0.509 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.055 -5.261 -1.625 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.197 -7.485 -1.510 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.450 -7.801 -1.383 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.552 -8.366 -0.105 1.00 1.16 H new ATOM 896 N LEU A 77 0.077 -4.244 1.447 1.00 0.35 N ATOM 897 CA LEU A 77 0.241 -2.959 2.096 1.00 0.41 C ATOM 898 C LEU A 77 -0.058 -1.842 1.106 1.00 0.39 C ATOM 899 O LEU A 77 0.618 -1.707 0.086 1.00 0.43 O ATOM 900 CB LEU A 77 1.668 -2.819 2.636 1.00 0.54 C ATOM 901 CG LEU A 77 1.994 -1.474 3.291 1.00 0.62 C ATOM 902 CD1 LEU A 77 1.124 -1.248 4.517 1.00 0.90 C ATOM 903 CD2 LEU A 77 3.467 -1.408 3.663 1.00 1.35 C ATOM 0 H LEU A 77 0.804 -4.461 0.765 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.456 -2.890 2.932 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.842 -3.610 3.365 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.366 -2.983 1.815 1.00 0.54 H new ATOM 0 HG LEU A 77 1.782 -0.682 2.572 1.00 0.62 H new ATOM 0 HD11 LEU A 77 1.372 -0.287 4.967 1.00 0.90 H new ATOM 0 HD12 LEU A 77 0.074 -1.251 4.224 1.00 0.90 H new ATOM 0 HD13 LEU A 77 1.301 -2.044 5.241 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.682 -0.446 4.127 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.702 -2.210 4.363 1.00 1.35 H new ATOM 0 HD23 LEU A 77 4.074 -1.521 2.765 1.00 1.35 H new ATOM 915 N VAL A 78 -1.083 -1.058 1.390 1.00 0.37 N ATOM 916 CA VAL A 78 -1.444 0.052 0.524 1.00 0.36 C ATOM 917 C VAL A 78 -1.037 1.368 1.166 1.00 0.36 C ATOM 918 O VAL A 78 -1.316 1.606 2.342 1.00 0.38 O ATOM 919 CB VAL A 78 -2.954 0.077 0.217 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.284 1.197 -0.757 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.411 -1.265 -0.334 1.00 1.01 C ATOM 0 H VAL A 78 -1.679 -1.168 2.211 1.00 0.37 H new ATOM 0 HA VAL A 78 -0.911 -0.084 -0.417 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.489 0.265 1.148 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.355 1.198 -0.961 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -2.997 2.154 -0.322 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.737 1.043 -1.687 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.480 -1.227 -0.544 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -2.868 -1.485 -1.253 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.213 -2.046 0.400 1.00 1.01 H new ATOM 931 N LEU A 79 -0.375 2.215 0.395 1.00 0.38 N ATOM 932 CA LEU A 79 0.126 3.479 0.902 1.00 0.40 C ATOM 933 C LEU A 79 -0.587 4.650 0.233 1.00 0.37 C ATOM 934 O LEU A 79 -0.325 4.972 -0.928 1.00 0.41 O ATOM 935 CB LEU A 79 1.637 3.585 0.664 1.00 0.46 C ATOM 936 CG LEU A 79 2.474 2.415 1.194 1.00 0.58 C ATOM 937 CD1 LEU A 79 3.949 2.638 0.895 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.255 2.229 2.690 1.00 1.37 C ATOM 0 H LEU A 79 -0.172 2.047 -0.590 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.070 3.518 1.973 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.812 3.678 -0.408 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.996 4.504 1.127 1.00 0.46 H new ATOM 0 HG LEU A 79 2.151 1.506 0.686 1.00 0.58 H new ATOM 0 HD11 LEU A 79 4.529 1.798 1.278 1.00 1.23 H new ATOM 0 HD12 LEU A 79 4.094 2.718 -0.182 1.00 1.23 H new ATOM 0 HD13 LEU A 79 4.282 3.558 1.375 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.858 1.394 3.045 1.00 1.37 H new ATOM 0 HD22 LEU A 79 2.548 3.138 3.216 1.00 1.37 H new ATOM 0 HD23 LEU A 79 1.202 2.023 2.881 1.00 1.37 H new ATOM 950 N ILE A 80 -1.499 5.271 0.964 1.00 0.41 N ATOM 951 CA ILE A 80 -2.184 6.461 0.480 1.00 0.43 C ATOM 952 C ILE A 80 -1.394 7.694 0.894 1.00 0.41 C ATOM 953 O ILE A 80 -0.799 7.719 1.968 1.00 0.42 O ATOM 954 CB ILE A 80 -3.630 6.543 1.022 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.431 5.325 0.559 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.310 7.830 0.567 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.861 5.320 1.044 1.00 1.40 C ATOM 0 H ILE A 80 -1.783 4.971 1.897 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.246 6.409 -0.607 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.590 6.549 2.111 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -4.426 5.290 -0.530 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.935 4.420 0.909 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.326 7.864 0.961 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.749 8.688 0.936 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.342 7.859 -0.522 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -6.367 4.427 0.677 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.876 5.323 2.134 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -6.374 6.207 0.672 1.00 1.40 H new ATOM 969 N THR A 81 -1.376 8.699 0.033 1.00 0.60 N ATOM 970 CA THR A 81 -0.564 9.880 0.255 1.00 0.69 C ATOM 971 C THR A 81 -1.113 10.744 1.388 1.00 0.79 C ATOM 972 O THR A 81 -2.297 10.654 1.724 1.00 1.20 O ATOM 973 CB THR A 81 -0.450 10.710 -1.033 1.00 1.13 C ATOM 974 OG1 THR A 81 -1.755 11.053 -1.522 1.00 2.07 O ATOM 975 CG2 THR A 81 0.295 9.928 -2.098 1.00 1.92 C ATOM 0 H THR A 81 -1.919 8.718 -0.830 1.00 0.60 H new ATOM 0 HA THR A 81 0.428 9.537 0.548 1.00 0.69 H new ATOM 0 HB THR A 81 0.100 11.623 -0.804 1.00 1.13 H new ATOM 0 HG1 THR A 81 -1.668 11.583 -2.342 1.00 2.07 H new ATOM 0 HG21 THR A 81 0.369 10.528 -3.005 1.00 1.92 H new ATOM 0 HG22 THR A 81 1.296 9.688 -1.740 1.00 1.92 H new ATOM 0 HG23 THR A 81 -0.243 9.006 -2.316 1.00 1.92 H new ATOM 983 N GLY A 82 -0.245 11.563 1.975 1.00 0.73 N ATOM 984 CA GLY A 82 -0.607 12.342 3.145 1.00 1.09 C ATOM 985 C GLY A 82 -1.864 13.168 2.963 1.00 0.92 C ATOM 986 O GLY A 82 -2.794 13.079 3.769 1.00 1.03 O ATOM 0 H GLY A 82 0.714 11.701 1.656 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.745 11.668 3.990 1.00 1.09 H new ATOM 0 HA3 GLY A 82 0.220 13.006 3.398 1.00 1.09 H new ATOM 990 N SER A 83 -1.910 13.966 1.907 1.00 1.03 N ATOM 991 CA SER A 83 -3.045 14.844 1.699 1.00 1.19 C ATOM 992 C SER A 83 -4.086 14.200 0.792 1.00 1.10 C ATOM 993 O SER A 83 -3.995 14.266 -0.434 1.00 1.22 O ATOM 994 CB SER A 83 -2.569 16.164 1.096 1.00 1.61 C ATOM 995 OG SER A 83 -1.536 16.734 1.881 1.00 2.22 O ATOM 0 H SER A 83 -1.185 14.022 1.192 1.00 1.03 H new ATOM 0 HA SER A 83 -3.514 15.031 2.665 1.00 1.19 H new ATOM 0 HB2 SER A 83 -2.210 15.996 0.081 1.00 1.61 H new ATOM 0 HB3 SER A 83 -3.405 16.860 1.027 1.00 1.61 H new ATOM 0 HG SER A 83 -1.245 17.578 1.476 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.068 13.573 1.413 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.259 13.115 0.720 1.00 0.95 C ATOM 1003 C ALA A 84 -7.405 14.063 1.036 1.00 0.97 C ATOM 1004 O ALA A 84 -7.378 14.750 2.061 1.00 1.13 O ATOM 1005 CB ALA A 84 -6.606 11.693 1.136 1.00 0.97 C ATOM 0 H ALA A 84 -5.063 13.367 2.412 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.078 13.110 -0.355 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.501 11.367 0.606 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -5.777 11.029 0.890 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -6.789 11.662 2.210 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.403 14.113 0.175 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.586 14.916 0.451 1.00 0.93 C ATOM 1013 C ASP A 85 -10.393 14.255 1.566 1.00 0.81 C ATOM 1014 O ASP A 85 -10.421 13.028 1.639 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.440 15.067 -0.812 1.00 1.02 C ATOM 1016 CG ASP A 85 -11.663 15.935 -0.601 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -12.718 15.401 -0.193 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -11.577 17.156 -0.848 1.00 1.92 O ATOM 0 H ASP A 85 -8.422 13.614 -0.714 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.278 15.912 0.770 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -9.830 15.496 -1.607 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -10.756 14.080 -1.150 1.00 1.02 H new ATOM 1023 N PRO A 86 -10.999 15.038 2.478 1.00 0.92 N ATOM 1024 CA PRO A 86 -11.800 14.510 3.590 1.00 0.95 C ATOM 1025 C PRO A 86 -12.653 13.294 3.213 1.00 0.85 C ATOM 1026 O PRO A 86 -12.643 12.276 3.916 1.00 0.88 O ATOM 1027 CB PRO A 86 -12.688 15.695 3.943 1.00 1.11 C ATOM 1028 CG PRO A 86 -11.830 16.884 3.679 1.00 1.30 C ATOM 1029 CD PRO A 86 -10.931 16.514 2.525 1.00 1.11 C ATOM 0 HA PRO A 86 -11.173 14.147 4.404 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -13.591 15.712 3.333 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -13.007 15.657 4.984 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -12.438 17.755 3.434 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -11.243 17.143 4.561 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -11.276 16.959 1.592 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -9.911 16.862 2.686 1.00 1.11 H new ATOM 1037 N ASP A 87 -13.358 13.389 2.086 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.255 12.319 1.653 1.00 0.86 C ATOM 1039 C ASP A 87 -13.469 11.116 1.153 1.00 0.74 C ATOM 1040 O ASP A 87 -13.911 9.975 1.288 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.210 12.808 0.560 1.00 1.02 C ATOM 1042 CG ASP A 87 -16.120 13.923 1.036 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -16.299 14.910 0.287 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.648 13.830 2.163 1.00 2.21 O ATOM 0 H ASP A 87 -13.325 14.193 1.459 1.00 0.82 H new ATOM 0 HA ASP A 87 -14.843 12.016 2.519 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -14.630 13.157 -0.294 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.817 11.972 0.213 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.296 11.373 0.588 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.420 10.304 0.130 1.00 0.67 C ATOM 1051 C GLU A 88 -10.928 9.490 1.317 1.00 0.55 C ATOM 1052 O GLU A 88 -10.811 8.268 1.237 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.233 10.865 -0.657 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.619 11.465 -1.999 1.00 1.02 C ATOM 1055 CD GLU A 88 -9.414 11.873 -2.825 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -8.713 12.826 -2.430 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -9.172 11.251 -3.887 1.00 2.32 O ATOM 0 H GLU A 88 -11.930 12.313 0.436 1.00 0.68 H new ATOM 0 HA GLU A 88 -11.990 9.656 -0.536 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.738 11.628 -0.056 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.507 10.068 -0.820 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -11.211 10.741 -2.560 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -11.253 12.336 -1.834 1.00 1.02 H new ATOM 1064 N LYS A 89 -10.654 10.177 2.422 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.267 9.512 3.660 1.00 0.62 C ATOM 1066 C LYS A 89 -11.402 8.627 4.162 1.00 0.59 C ATOM 1067 O LYS A 89 -11.172 7.503 4.600 1.00 0.64 O ATOM 1068 CB LYS A 89 -9.889 10.536 4.735 1.00 0.77 C ATOM 1069 CG LYS A 89 -8.515 11.165 4.544 1.00 1.34 C ATOM 1070 CD LYS A 89 -7.401 10.139 4.715 1.00 1.77 C ATOM 1071 CE LYS A 89 -6.024 10.792 4.749 1.00 2.39 C ATOM 1072 NZ LYS A 89 -5.852 11.678 5.933 1.00 2.81 N ATOM 0 H LYS A 89 -10.693 11.194 2.485 1.00 0.57 H new ATOM 0 HA LYS A 89 -9.396 8.891 3.453 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.639 11.327 4.747 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -9.921 10.051 5.710 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -8.452 11.609 3.551 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -8.380 11.973 5.263 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -7.561 9.581 5.638 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -7.441 9.420 3.897 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -5.257 10.018 4.762 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -5.876 11.372 3.838 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -4.840 11.870 6.079 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -6.354 12.574 5.772 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -6.241 11.210 6.776 1.00 2.81 H new ATOM 1086 N THR A 90 -12.626 9.138 4.081 1.00 0.62 N ATOM 1087 CA THR A 90 -13.803 8.389 4.500 1.00 0.69 C ATOM 1088 C THR A 90 -13.946 7.099 3.690 1.00 0.62 C ATOM 1089 O THR A 90 -14.131 6.014 4.248 1.00 0.69 O ATOM 1090 CB THR A 90 -15.082 9.234 4.329 1.00 0.86 C ATOM 1091 OG1 THR A 90 -14.882 10.539 4.885 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.270 8.573 5.011 1.00 1.17 C ATOM 0 H THR A 90 -12.828 10.073 3.727 1.00 0.62 H new ATOM 0 HA THR A 90 -13.673 8.141 5.553 1.00 0.69 H new ATOM 0 HB THR A 90 -15.293 9.314 3.263 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.697 11.071 4.772 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.158 9.190 4.874 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.441 7.590 4.572 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.064 8.464 6.076 1.00 1.17 H new ATOM 1100 N LYS A 91 -13.837 7.229 2.374 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.007 6.098 1.471 1.00 0.64 C ATOM 1102 C LYS A 91 -12.886 5.077 1.639 1.00 0.63 C ATOM 1103 O LYS A 91 -13.131 3.869 1.645 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.060 6.588 0.024 1.00 0.73 C ATOM 1105 CG LYS A 91 -15.221 7.528 -0.253 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.193 8.048 -1.679 1.00 1.51 C ATOM 1107 CE LYS A 91 -16.317 9.036 -1.932 1.00 1.83 C ATOM 1108 NZ LYS A 91 -16.306 9.542 -3.328 1.00 2.41 N ATOM 0 H LYS A 91 -13.630 8.112 1.906 1.00 0.57 H new ATOM 0 HA LYS A 91 -14.947 5.606 1.721 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -13.126 7.097 -0.214 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -14.133 5.727 -0.641 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -16.162 7.007 -0.074 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -15.184 8.367 0.441 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -14.234 8.528 -1.874 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -15.278 7.213 -2.374 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -17.274 8.557 -1.727 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.226 9.874 -1.241 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -17.089 10.214 -3.460 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -15.403 10.022 -3.516 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -16.419 8.745 -3.987 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.663 5.565 1.793 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.507 4.692 1.928 1.00 0.67 C ATOM 1124 C ALA A 92 -10.529 3.972 3.266 1.00 0.68 C ATOM 1125 O ALA A 92 -10.157 2.804 3.357 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.220 5.485 1.781 1.00 0.74 C ATOM 0 H ALA A 92 -11.446 6.561 1.827 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.551 3.947 1.134 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.366 4.815 1.885 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.194 5.957 0.799 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.175 6.253 2.554 1.00 0.74 H new ATOM 1132 N LYS A 93 -10.973 4.678 4.299 1.00 0.64 N ATOM 1133 CA LYS A 93 -11.041 4.123 5.642 1.00 0.71 C ATOM 1134 C LYS A 93 -11.932 2.885 5.672 1.00 0.70 C ATOM 1135 O LYS A 93 -11.556 1.849 6.226 1.00 0.79 O ATOM 1136 CB LYS A 93 -11.578 5.173 6.616 1.00 0.80 C ATOM 1137 CG LYS A 93 -11.642 4.701 8.060 1.00 1.09 C ATOM 1138 CD LYS A 93 -12.281 5.746 8.958 1.00 1.56 C ATOM 1139 CE LYS A 93 -13.742 5.970 8.602 1.00 2.00 C ATOM 1140 NZ LYS A 93 -14.362 7.042 9.420 1.00 2.44 N ATOM 0 H LYS A 93 -11.293 5.644 4.229 1.00 0.64 H new ATOM 0 HA LYS A 93 -10.035 3.832 5.944 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -10.947 6.060 6.562 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -12.577 5.472 6.298 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -12.212 3.774 8.116 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -10.636 4.479 8.417 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -12.204 5.430 9.998 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -11.736 6.686 8.869 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -13.821 6.230 7.546 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -14.295 5.041 8.744 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -15.357 7.159 9.142 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -14.311 6.784 10.426 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -13.852 7.935 9.266 1.00 2.44 H new ATOM 1154 N LYS A 94 -13.107 3.001 5.063 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.052 1.891 4.996 1.00 0.71 C ATOM 1156 C LYS A 94 -13.461 0.738 4.197 1.00 0.67 C ATOM 1157 O LYS A 94 -13.484 -0.413 4.633 1.00 0.74 O ATOM 1158 CB LYS A 94 -15.363 2.339 4.348 1.00 0.78 C ATOM 1159 CG LYS A 94 -16.095 3.426 5.119 1.00 1.36 C ATOM 1160 CD LYS A 94 -17.399 3.814 4.436 1.00 1.79 C ATOM 1161 CE LYS A 94 -17.157 4.452 3.077 1.00 2.57 C ATOM 1162 NZ LYS A 94 -18.428 4.757 2.372 1.00 2.85 N ATOM 0 H LYS A 94 -13.429 3.855 4.607 1.00 0.66 H new ATOM 0 HA LYS A 94 -14.253 1.557 6.014 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -15.154 2.700 3.341 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.020 1.475 4.246 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -16.303 3.078 6.131 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -15.455 4.304 5.208 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -18.024 2.929 4.316 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -17.949 4.509 5.071 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -16.584 5.370 3.204 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -16.554 3.782 2.464 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -18.218 5.191 1.450 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -18.964 3.878 2.227 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -18.993 5.417 2.944 1.00 2.85 H new ATOM 1176 N ALA A 95 -12.910 1.069 3.036 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.353 0.071 2.134 1.00 0.60 C ATOM 1178 C ALA A 95 -11.190 -0.673 2.781 1.00 0.57 C ATOM 1179 O ALA A 95 -10.986 -1.861 2.530 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.910 0.730 0.839 1.00 0.63 C ATOM 0 H ALA A 95 -12.837 2.028 2.696 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.131 -0.660 1.912 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.495 -0.024 0.171 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.766 1.206 0.362 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.151 1.482 1.054 1.00 0.63 H new ATOM 1186 N ALA A 96 -10.439 0.032 3.619 1.00 0.57 N ATOM 1187 CA ALA A 96 -9.294 -0.548 4.310 1.00 0.58 C ATOM 1188 C ALA A 96 -9.723 -1.661 5.259 1.00 0.56 C ATOM 1189 O ALA A 96 -9.026 -2.664 5.408 1.00 0.59 O ATOM 1190 CB ALA A 96 -8.540 0.528 5.074 1.00 0.64 C ATOM 0 H ALA A 96 -10.605 1.014 3.837 1.00 0.57 H new ATOM 0 HA ALA A 96 -8.635 -0.982 3.558 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -7.687 0.081 5.585 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.188 1.289 4.378 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -9.204 0.986 5.807 1.00 0.64 H new ATOM 1196 N GLU A 97 -10.875 -1.485 5.891 1.00 0.57 N ATOM 1197 CA GLU A 97 -11.372 -2.471 6.840 1.00 0.63 C ATOM 1198 C GLU A 97 -12.115 -3.588 6.117 1.00 0.55 C ATOM 1199 O GLU A 97 -12.185 -4.717 6.601 1.00 0.58 O ATOM 1200 CB GLU A 97 -12.277 -1.815 7.880 1.00 0.80 C ATOM 1201 CG GLU A 97 -11.572 -0.751 8.707 1.00 1.46 C ATOM 1202 CD GLU A 97 -10.242 -1.228 9.260 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -9.197 -0.668 8.865 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -10.231 -2.162 10.090 1.00 2.39 O ATOM 0 H GLU A 97 -11.480 -0.673 5.765 1.00 0.57 H new ATOM 0 HA GLU A 97 -10.515 -2.905 7.356 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -13.132 -1.365 7.375 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -12.668 -2.583 8.547 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -11.409 0.134 8.091 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -12.218 -0.451 9.532 1.00 1.46 H new ATOM 1211 N GLU A 98 -12.665 -3.272 4.955 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.311 -4.278 4.130 1.00 0.57 C ATOM 1213 C GLU A 98 -12.271 -5.213 3.530 1.00 0.52 C ATOM 1214 O GLU A 98 -12.366 -6.433 3.669 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.125 -3.622 3.018 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.296 -2.803 3.527 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.118 -2.221 2.401 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -16.928 -2.962 1.810 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -15.957 -1.022 2.096 1.00 2.66 O ATOM 0 H GLU A 98 -12.677 -2.330 4.564 1.00 0.55 H new ATOM 0 HA GLU A 98 -13.987 -4.855 4.761 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -13.470 -2.979 2.431 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -14.498 -4.396 2.347 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.932 -3.430 4.152 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -14.925 -1.996 4.159 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.257 -4.625 2.902 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.188 -5.386 2.267 1.00 0.49 C ATOM 1228 C ALA A 99 -9.341 -6.112 3.307 1.00 0.46 C ATOM 1229 O ALA A 99 -8.556 -7.002 2.975 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.319 -4.471 1.420 1.00 0.58 C ATOM 0 H ALA A 99 -11.154 -3.614 2.820 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.643 -6.135 1.619 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.525 -5.053 0.952 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.929 -4.003 0.647 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -8.879 -3.700 2.052 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.512 -5.732 4.568 1.00 0.47 N ATOM 1237 CA ARG A 100 -8.772 -6.334 5.671 1.00 0.53 C ATOM 1238 C ARG A 100 -9.009 -7.846 5.736 1.00 0.51 C ATOM 1239 O ARG A 100 -8.145 -8.596 6.189 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.169 -5.674 6.998 1.00 0.64 C ATOM 1241 CG ARG A 100 -8.439 -6.236 8.206 1.00 1.22 C ATOM 1242 CD ARG A 100 -6.938 -6.054 8.085 1.00 1.52 C ATOM 1243 NE ARG A 100 -6.216 -6.850 9.070 1.00 2.17 N ATOM 1244 CZ ARG A 100 -5.068 -7.472 8.820 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -4.470 -7.329 7.642 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -4.510 -8.231 9.751 1.00 3.77 N ATOM 0 H ARG A 100 -10.164 -5.002 4.854 1.00 0.47 H new ATOM 0 HA ARG A 100 -7.709 -6.168 5.497 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -8.974 -4.604 6.933 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -10.242 -5.794 7.146 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -8.795 -5.741 9.110 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.670 -7.296 8.311 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -6.617 -6.337 7.083 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -6.688 -5.001 8.214 1.00 1.52 H new ATOM 0 HE ARG A 100 -6.615 -6.935 10.005 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -4.892 -6.740 6.924 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -3.589 -7.809 7.456 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -4.961 -8.338 10.660 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -3.629 -8.708 9.559 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.170 -8.287 5.254 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.507 -9.713 5.237 1.00 0.58 C ATOM 1262 C LYS A 101 -9.526 -10.496 4.372 1.00 0.63 C ATOM 1263 O LYS A 101 -9.334 -11.697 4.560 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.926 -9.924 4.707 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.004 -9.285 5.563 1.00 1.37 C ATOM 1266 CD LYS A 101 -14.386 -9.535 4.982 1.00 1.81 C ATOM 1267 CE LYS A 101 -15.471 -8.879 5.818 1.00 2.63 C ATOM 1268 NZ LYS A 101 -15.299 -7.404 5.887 1.00 3.24 N ATOM 0 H LYS A 101 -10.894 -7.679 4.870 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.445 -10.078 6.262 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -11.990 -9.519 3.697 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.121 -10.994 4.634 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -12.954 -9.686 6.575 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -12.826 -8.212 5.636 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -14.428 -9.150 3.963 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -14.569 -10.608 4.925 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -16.448 -9.112 5.393 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -15.455 -9.294 6.826 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -16.169 -6.970 6.256 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -14.504 -7.176 6.518 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -15.103 -7.032 4.936 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.908 -9.806 3.427 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.954 -10.423 2.522 1.00 0.71 C ATOM 1284 C TRP A 102 -6.528 -10.134 2.974 1.00 0.64 C ATOM 1285 O TRP A 102 -5.588 -10.196 2.179 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.174 -9.915 1.095 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.467 -10.373 0.491 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -9.645 -11.446 -0.328 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.760 -9.776 0.655 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -10.965 -11.554 -0.685 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.669 -10.542 -0.094 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -11.237 -8.671 1.363 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -13.027 -10.240 -0.155 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -12.585 -8.371 1.300 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -13.466 -9.152 0.545 1.00 2.21 C ATOM 0 H TRP A 102 -9.053 -8.809 3.267 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.108 -11.502 2.536 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -8.149 -8.825 1.098 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.349 -10.251 0.467 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -8.861 -12.115 -0.650 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -11.358 -12.273 -1.293 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -10.565 -8.062 1.949 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -13.709 -10.844 -0.735 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -12.965 -7.518 1.843 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -14.513 -8.890 0.515 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.385 -9.818 4.263 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.085 -9.527 4.875 1.00 0.64 C ATOM 1308 C ASN A 103 -4.480 -8.252 4.299 1.00 0.56 C ATOM 1309 O ASN A 103 -3.261 -8.079 4.282 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.108 -10.697 4.700 1.00 0.89 C ATOM 1311 CG ASN A 103 -4.563 -11.957 5.410 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -4.254 -12.168 6.584 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -5.285 -12.811 4.702 1.00 2.00 N ATOM 0 H ASN A 103 -7.168 -9.756 4.914 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.257 -9.381 5.941 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.988 -10.908 3.637 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.129 -10.406 5.079 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -5.607 -13.681 5.126 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -5.520 -12.599 3.732 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.338 -7.360 3.831 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.894 -6.082 3.299 1.00 0.45 C ATOM 1322 C VAL A 104 -4.934 -5.019 4.390 1.00 0.48 C ATOM 1323 O VAL A 104 -5.901 -4.934 5.147 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.773 -5.627 2.112 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.268 -4.314 1.533 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.828 -6.702 1.036 1.00 0.99 C ATOM 0 H VAL A 104 -6.348 -7.498 3.809 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.872 -6.210 2.943 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.784 -5.466 2.486 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -5.904 -4.016 0.699 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.294 -3.543 2.303 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.244 -4.441 1.181 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.452 -6.359 0.211 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.821 -6.903 0.670 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.250 -7.615 1.455 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.876 -4.230 4.489 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.834 -3.134 5.441 1.00 0.48 C ATOM 1338 C ARG A 105 -3.387 -1.852 4.753 1.00 0.44 C ATOM 1339 O ARG A 105 -2.249 -1.730 4.300 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.925 -3.475 6.629 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.636 -2.303 7.567 1.00 1.28 C ATOM 1342 CD ARG A 105 -3.897 -1.547 7.980 1.00 1.72 C ATOM 1343 NE ARG A 105 -4.890 -2.391 8.646 1.00 2.38 N ATOM 1344 CZ ARG A 105 -6.178 -2.053 8.770 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -6.616 -0.897 8.290 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -7.030 -2.855 9.398 1.00 4.06 N ATOM 0 H ARG A 105 -3.035 -4.329 3.921 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.839 -2.976 5.832 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -3.387 -4.278 7.204 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -1.979 -3.859 6.247 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -2.132 -2.674 8.460 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.949 -1.613 7.077 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -3.620 -0.730 8.647 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -4.348 -1.097 7.095 1.00 1.72 H new ATOM 0 HE ARG A 105 -4.584 -3.283 9.036 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -5.970 -0.261 7.824 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -7.599 -0.644 8.387 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -6.704 -3.738 9.791 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -8.010 -2.588 9.487 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.309 -0.911 4.664 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.041 0.381 4.060 1.00 0.48 C ATOM 1362 C VAL A 106 -3.508 1.348 5.107 1.00 0.50 C ATOM 1363 O VAL A 106 -4.026 1.404 6.222 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.320 0.968 3.433 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.009 2.232 2.648 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.005 -0.068 2.556 1.00 1.58 C ATOM 0 H VAL A 106 -5.263 -1.021 5.008 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.295 0.239 3.278 1.00 0.48 H new ATOM 0 HB VAL A 106 -6.004 1.238 4.237 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -5.928 2.627 2.215 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -4.573 2.976 3.314 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -4.303 2.001 1.851 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.907 0.363 2.121 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -5.328 -0.375 1.759 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.272 -0.936 3.159 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.466 2.084 4.759 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.889 3.062 5.664 1.00 0.58 C ATOM 1378 C ARG A 107 -1.707 4.393 4.949 1.00 0.49 C ATOM 1379 O ARG A 107 -1.561 4.434 3.726 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.543 2.570 6.206 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.605 1.177 6.814 1.00 1.02 C ATOM 1382 CD ARG A 107 0.653 0.846 7.595 1.00 0.90 C ATOM 1383 NE ARG A 107 0.778 1.677 8.791 1.00 1.58 N ATOM 1384 CZ ARG A 107 0.944 1.201 10.022 1.00 2.15 C ATOM 1385 NH1 ARG A 107 1.067 -0.106 10.231 1.00 2.26 N ATOM 1386 NH2 ARG A 107 0.994 2.039 11.047 1.00 3.00 N ATOM 0 H ARG A 107 -2.001 2.022 3.853 1.00 0.46 H new ATOM 0 HA ARG A 107 -2.571 3.198 6.503 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.188 2.572 5.397 1.00 0.74 H new ATOM 0 HB3 ARG A 107 -0.186 3.271 6.960 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -1.471 1.106 7.473 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.746 0.441 6.022 1.00 1.02 H new ATOM 0 HD2 ARG A 107 0.638 -0.205 7.882 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.526 0.990 6.958 1.00 0.90 H new ATOM 0 HE ARG A 107 0.735 2.689 8.674 1.00 1.58 H new ATOM 0 HH11 ARG A 107 1.034 -0.754 9.444 1.00 2.26 H new ATOM 0 HH12 ARG A 107 1.194 -0.461 11.179 1.00 2.26 H new ATOM 0 HH21 ARG A 107 0.905 3.043 10.890 1.00 3.00 H new ATOM 0 HH22 ARG A 107 1.121 1.680 11.993 1.00 3.00 H new ATOM 1400 N THR A 108 -1.735 5.472 5.709 1.00 0.56 N ATOM 1401 CA THR A 108 -1.536 6.799 5.159 1.00 0.51 C ATOM 1402 C THR A 108 -0.090 7.237 5.370 1.00 0.52 C ATOM 1403 O THR A 108 0.398 7.273 6.499 1.00 0.66 O ATOM 1404 CB THR A 108 -2.487 7.817 5.817 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.827 7.303 5.821 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.456 9.150 5.081 1.00 0.68 C ATOM 0 H THR A 108 -1.895 5.454 6.716 1.00 0.56 H new ATOM 0 HA THR A 108 -1.754 6.762 4.092 1.00 0.51 H new ATOM 0 HB THR A 108 -2.153 7.979 6.842 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.426 7.954 6.242 1.00 0.86 H new ATOM 0 HG21 THR A 108 -3.136 9.850 5.567 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.444 9.554 5.102 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.766 9.002 4.046 1.00 0.68 H new ATOM 1414 N VAL A 109 0.590 7.554 4.282 1.00 0.47 N ATOM 1415 CA VAL A 109 1.993 7.927 4.333 1.00 0.55 C ATOM 1416 C VAL A 109 2.173 9.410 4.049 1.00 0.57 C ATOM 1417 O VAL A 109 1.830 9.893 2.970 1.00 0.62 O ATOM 1418 CB VAL A 109 2.820 7.109 3.325 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.253 7.600 3.278 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.775 5.631 3.674 1.00 1.05 C ATOM 0 H VAL A 109 0.189 7.560 3.344 1.00 0.47 H new ATOM 0 HA VAL A 109 2.349 7.712 5.340 1.00 0.55 H new ATOM 0 HB VAL A 109 2.381 7.245 2.336 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.818 7.007 2.559 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.269 8.647 2.976 1.00 1.51 H new ATOM 0 HG13 VAL A 109 4.705 7.500 4.265 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.365 5.068 2.951 1.00 1.05 H new ATOM 0 HG22 VAL A 109 3.185 5.480 4.673 1.00 1.05 H new ATOM 0 HG23 VAL A 109 1.742 5.283 3.649 1.00 1.05 H new ATOM 1430 N THR A 110 2.718 10.127 5.018 1.00 0.70 N ATOM 1431 CA THR A 110 2.897 11.564 4.894 1.00 0.84 C ATOM 1432 C THR A 110 4.286 11.932 4.365 1.00 0.84 C ATOM 1433 O THR A 110 4.476 13.013 3.803 1.00 0.97 O ATOM 1434 CB THR A 110 2.663 12.265 6.247 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.446 11.632 7.270 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.191 12.226 6.630 1.00 1.45 C ATOM 0 H THR A 110 3.045 9.736 5.902 1.00 0.70 H new ATOM 0 HA THR A 110 2.157 11.908 4.171 1.00 0.84 H new ATOM 0 HB THR A 110 2.968 13.307 6.149 1.00 1.02 H new ATOM 0 HG1 THR A 110 3.059 10.757 7.484 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.051 12.727 7.588 1.00 1.45 H new ATOM 0 HG22 THR A 110 0.603 12.734 5.866 1.00 1.45 H new ATOM 0 HG23 THR A 110 0.863 11.190 6.711 1.00 1.45 H new ATOM 1444 N SER A 111 5.259 11.044 4.540 1.00 0.79 N ATOM 1445 CA SER A 111 6.632 11.334 4.131 1.00 0.85 C ATOM 1446 C SER A 111 7.387 10.049 3.780 1.00 0.76 C ATOM 1447 O SER A 111 7.058 8.982 4.297 1.00 0.69 O ATOM 1448 CB SER A 111 7.357 12.086 5.251 1.00 0.96 C ATOM 1449 OG SER A 111 6.659 13.273 5.597 1.00 1.52 O ATOM 0 H SER A 111 5.126 10.124 4.959 1.00 0.79 H new ATOM 0 HA SER A 111 6.601 11.958 3.238 1.00 0.85 H new ATOM 0 HB2 SER A 111 7.447 11.444 6.127 1.00 0.96 H new ATOM 0 HB3 SER A 111 8.369 12.334 4.932 1.00 0.96 H new ATOM 0 HG SER A 111 7.138 13.737 6.315 1.00 1.52 H new ATOM 1455 N PRO A 112 8.400 10.133 2.894 1.00 0.82 N ATOM 1456 CA PRO A 112 9.203 8.970 2.485 1.00 0.80 C ATOM 1457 C PRO A 112 9.823 8.220 3.668 1.00 0.70 C ATOM 1458 O PRO A 112 9.903 6.991 3.651 1.00 0.74 O ATOM 1459 CB PRO A 112 10.293 9.561 1.580 1.00 0.95 C ATOM 1460 CG PRO A 112 10.232 11.040 1.779 1.00 1.05 C ATOM 1461 CD PRO A 112 8.825 11.356 2.196 1.00 0.97 C ATOM 0 HA PRO A 112 8.585 8.225 1.984 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.276 9.171 1.846 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.118 9.300 0.536 1.00 0.95 H new ATOM 0 HG2 PRO A 112 10.943 11.359 2.541 1.00 1.05 H new ATOM 0 HG3 PRO A 112 10.492 11.566 0.860 1.00 1.05 H new ATOM 0 HD2 PRO A 112 8.785 12.228 2.849 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.189 11.572 1.337 1.00 0.97 H new ATOM 1469 N ASP A 113 10.250 8.955 4.695 1.00 0.67 N ATOM 1470 CA ASP A 113 10.765 8.330 5.918 1.00 0.66 C ATOM 1471 C ASP A 113 9.716 7.424 6.539 1.00 0.59 C ATOM 1472 O ASP A 113 9.999 6.285 6.906 1.00 0.63 O ATOM 1473 CB ASP A 113 11.195 9.376 6.948 1.00 0.74 C ATOM 1474 CG ASP A 113 12.626 9.835 6.766 1.00 1.73 C ATOM 1475 OD1 ASP A 113 12.837 10.984 6.324 1.00 2.48 O ATOM 1476 OD2 ASP A 113 13.549 9.053 7.081 1.00 2.44 O ATOM 0 H ASP A 113 10.251 9.975 4.707 1.00 0.67 H new ATOM 0 HA ASP A 113 11.637 7.741 5.633 1.00 0.66 H new ATOM 0 HB2 ASP A 113 10.532 10.238 6.880 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.077 8.961 7.949 1.00 0.74 H new ATOM 1481 N GLU A 114 8.503 7.940 6.638 1.00 0.57 N ATOM 1482 CA GLU A 114 7.388 7.189 7.186 1.00 0.60 C ATOM 1483 C GLU A 114 7.059 6.005 6.277 1.00 0.52 C ATOM 1484 O GLU A 114 6.750 4.912 6.749 1.00 0.52 O ATOM 1485 CB GLU A 114 6.182 8.121 7.348 1.00 0.73 C ATOM 1486 CG GLU A 114 4.972 7.472 7.993 1.00 1.18 C ATOM 1487 CD GLU A 114 3.907 8.483 8.355 1.00 1.99 C ATOM 1488 OE1 GLU A 114 3.260 9.033 7.440 1.00 2.63 O ATOM 1489 OE2 GLU A 114 3.713 8.743 9.563 1.00 2.70 O ATOM 0 H GLU A 114 8.264 8.887 6.342 1.00 0.57 H new ATOM 0 HA GLU A 114 7.653 6.792 8.166 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.481 8.981 7.947 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.896 8.500 6.367 1.00 0.73 H new ATOM 0 HG2 GLU A 114 4.552 6.732 7.311 1.00 1.18 H new ATOM 0 HG3 GLU A 114 5.284 6.938 8.891 1.00 1.18 H new ATOM 1496 N ALA A 115 7.165 6.231 4.970 1.00 0.55 N ATOM 1497 CA ALA A 115 6.933 5.185 3.979 1.00 0.58 C ATOM 1498 C ALA A 115 7.867 4.004 4.191 1.00 0.51 C ATOM 1499 O ALA A 115 7.420 2.877 4.413 1.00 0.51 O ATOM 1500 CB ALA A 115 7.117 5.735 2.572 1.00 0.70 C ATOM 0 H ALA A 115 7.412 7.137 4.571 1.00 0.55 H new ATOM 0 HA ALA A 115 5.907 4.839 4.101 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.940 4.942 1.845 1.00 0.70 H new ATOM 0 HB2 ALA A 115 6.409 6.546 2.403 1.00 0.70 H new ATOM 0 HB3 ALA A 115 8.134 6.111 2.458 1.00 0.70 H new ATOM 1506 N LYS A 116 9.168 4.271 4.140 1.00 0.51 N ATOM 1507 CA LYS A 116 10.166 3.216 4.243 1.00 0.51 C ATOM 1508 C LYS A 116 10.150 2.565 5.619 1.00 0.44 C ATOM 1509 O LYS A 116 10.587 1.425 5.776 1.00 0.49 O ATOM 1510 CB LYS A 116 11.567 3.744 3.907 1.00 0.64 C ATOM 1511 CG LYS A 116 12.050 4.900 4.764 1.00 1.38 C ATOM 1512 CD LYS A 116 13.448 5.321 4.340 1.00 1.43 C ATOM 1513 CE LYS A 116 13.906 6.587 5.041 1.00 1.80 C ATOM 1514 NZ LYS A 116 13.907 6.447 6.519 1.00 2.33 N ATOM 0 H LYS A 116 9.554 5.208 4.028 1.00 0.51 H new ATOM 0 HA LYS A 116 9.907 2.451 3.511 1.00 0.51 H new ATOM 0 HB2 LYS A 116 12.278 2.923 4.000 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.578 4.058 2.863 1.00 0.64 H new ATOM 0 HG2 LYS A 116 11.365 5.742 4.670 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.053 4.607 5.814 1.00 1.38 H new ATOM 0 HD2 LYS A 116 14.149 4.515 4.556 1.00 1.43 H new ATOM 0 HD3 LYS A 116 13.466 5.479 3.262 1.00 1.43 H new ATOM 0 HE2 LYS A 116 14.910 6.844 4.702 1.00 1.80 H new ATOM 0 HE3 LYS A 116 13.253 7.413 4.757 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 14.128 7.365 6.955 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 12.970 6.129 6.838 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 14.624 5.748 6.801 1.00 2.33 H new ATOM 1528 N ARG A 117 9.633 3.280 6.610 1.00 0.42 N ATOM 1529 CA ARG A 117 9.490 2.722 7.943 1.00 0.44 C ATOM 1530 C ARG A 117 8.459 1.602 7.932 1.00 0.43 C ATOM 1531 O ARG A 117 8.751 0.478 8.330 1.00 0.50 O ATOM 1532 CB ARG A 117 9.074 3.798 8.949 1.00 0.57 C ATOM 1533 CG ARG A 117 10.009 3.914 10.145 1.00 0.90 C ATOM 1534 CD ARG A 117 10.103 2.617 10.938 1.00 1.39 C ATOM 1535 NE ARG A 117 11.076 2.728 12.022 1.00 1.99 N ATOM 1536 CZ ARG A 117 11.704 1.696 12.586 1.00 2.83 C ATOM 1537 NH1 ARG A 117 11.416 0.451 12.226 1.00 3.30 N ATOM 1538 NH2 ARG A 117 12.610 1.917 13.529 1.00 3.61 N ATOM 0 H ARG A 117 9.308 4.242 6.514 1.00 0.42 H new ATOM 0 HA ARG A 117 10.457 2.322 8.248 1.00 0.44 H new ATOM 0 HB2 ARG A 117 9.029 4.761 8.440 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.068 3.579 9.306 1.00 0.57 H new ATOM 0 HG2 ARG A 117 11.003 4.198 9.799 1.00 0.90 H new ATOM 0 HG3 ARG A 117 9.659 4.712 10.800 1.00 0.90 H new ATOM 0 HD2 ARG A 117 9.125 2.367 11.349 1.00 1.39 H new ATOM 0 HD3 ARG A 117 10.387 1.801 10.273 1.00 1.39 H new ATOM 0 HE ARG A 117 11.290 3.662 12.372 1.00 1.99 H new ATOM 0 HH11 ARG A 117 10.709 0.277 11.512 1.00 3.30 H new ATOM 0 HH12 ARG A 117 11.902 -0.332 12.663 1.00 3.30 H new ATOM 0 HH21 ARG A 117 12.822 2.872 13.818 1.00 3.61 H new ATOM 0 HH22 ARG A 117 13.094 1.132 13.965 1.00 3.61 H new ATOM 1552 N TRP A 118 7.261 1.908 7.444 1.00 0.43 N ATOM 1553 CA TRP A 118 6.177 0.936 7.441 1.00 0.51 C ATOM 1554 C TRP A 118 6.457 -0.209 6.475 1.00 0.51 C ATOM 1555 O TRP A 118 6.057 -1.346 6.727 1.00 0.60 O ATOM 1556 CB TRP A 118 4.840 1.605 7.115 1.00 0.59 C ATOM 1557 CG TRP A 118 4.440 2.637 8.128 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.047 3.919 7.878 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.410 2.479 9.555 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.772 4.565 9.058 1.00 1.51 N ATOM 1561 CE2 TRP A 118 3.989 3.705 10.100 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.696 1.421 10.423 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.850 3.903 11.471 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.558 1.618 11.784 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.137 2.851 12.296 1.00 3.39 C ATOM 0 H TRP A 118 7.018 2.816 7.048 1.00 0.43 H new ATOM 0 HA TRP A 118 6.112 0.516 8.445 1.00 0.51 H new ATOM 0 HB2 TRP A 118 4.904 2.073 6.133 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.063 0.843 7.055 1.00 0.59 H new ATOM 0 HD1 TRP A 118 3.964 4.361 6.896 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.457 5.531 9.144 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.019 0.466 10.036 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.527 4.854 11.869 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.778 0.808 12.463 1.00 3.18 H new ATOM 0 HH2 TRP A 118 4.037 2.974 13.364 1.00 3.39 H new ATOM 1576 N ILE A 119 7.151 0.078 5.377 1.00 0.48 N ATOM 1577 CA ILE A 119 7.561 -0.980 4.459 1.00 0.54 C ATOM 1578 C ILE A 119 8.489 -1.953 5.175 1.00 0.53 C ATOM 1579 O ILE A 119 8.347 -3.163 5.045 1.00 0.58 O ATOM 1580 CB ILE A 119 8.259 -0.433 3.193 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.302 0.476 2.415 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.745 -1.582 2.308 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.925 1.118 1.196 1.00 0.81 C ATOM 0 H ILE A 119 7.437 1.018 5.104 1.00 0.48 H new ATOM 0 HA ILE A 119 6.655 -1.491 4.134 1.00 0.54 H new ATOM 0 HB ILE A 119 9.126 0.152 3.499 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.435 -0.107 2.104 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.938 1.259 3.080 1.00 0.67 H new ATOM 0 HG21 ILE A 119 9.234 -1.177 1.422 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.453 -2.195 2.865 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.895 -2.193 2.006 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.186 1.746 0.698 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.775 1.729 1.501 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.264 0.342 0.509 1.00 0.81 H new ATOM 1595 N LYS A 120 9.417 -1.410 5.958 1.00 0.52 N ATOM 1596 CA LYS A 120 10.330 -2.226 6.754 1.00 0.57 C ATOM 1597 C LYS A 120 9.549 -3.116 7.719 1.00 0.56 C ATOM 1598 O LYS A 120 9.850 -4.304 7.871 1.00 0.61 O ATOM 1599 CB LYS A 120 11.291 -1.325 7.535 1.00 0.66 C ATOM 1600 CG LYS A 120 12.274 -2.084 8.412 1.00 1.08 C ATOM 1601 CD LYS A 120 13.080 -1.143 9.297 1.00 1.68 C ATOM 1602 CE LYS A 120 13.969 -0.215 8.482 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.016 -0.957 7.732 1.00 2.76 N ATOM 0 H LYS A 120 9.557 -0.405 6.059 1.00 0.52 H new ATOM 0 HA LYS A 120 10.904 -2.863 6.081 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.849 -0.709 6.830 1.00 0.66 H new ATOM 0 HB3 LYS A 120 10.710 -0.647 8.160 1.00 0.66 H new ATOM 0 HG2 LYS A 120 11.732 -2.795 9.035 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.951 -2.662 7.784 1.00 1.08 H new ATOM 0 HD2 LYS A 120 12.400 -0.549 9.908 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.696 -1.727 9.981 1.00 1.68 H new ATOM 0 HE2 LYS A 120 13.355 0.351 7.782 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.443 0.507 9.146 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 15.698 -0.283 7.330 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.510 -1.607 8.377 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 14.573 -1.501 6.964 1.00 2.76 H new ATOM 1617 N GLU A 121 8.529 -2.533 8.345 1.00 0.56 N ATOM 1618 CA GLU A 121 7.715 -3.241 9.327 1.00 0.63 C ATOM 1619 C GLU A 121 6.985 -4.425 8.699 1.00 0.67 C ATOM 1620 O GLU A 121 6.886 -5.489 9.303 1.00 0.79 O ATOM 1621 CB GLU A 121 6.695 -2.295 9.966 1.00 0.71 C ATOM 1622 CG GLU A 121 7.306 -1.040 10.566 1.00 1.18 C ATOM 1623 CD GLU A 121 8.428 -1.336 11.536 1.00 1.87 C ATOM 1624 OE1 GLU A 121 8.137 -1.688 12.700 1.00 2.50 O ATOM 1625 OE2 GLU A 121 9.605 -1.205 11.145 1.00 2.57 O ATOM 0 H GLU A 121 8.246 -1.566 8.187 1.00 0.56 H new ATOM 0 HA GLU A 121 8.390 -3.618 10.095 1.00 0.63 H new ATOM 0 HB2 GLU A 121 5.962 -2.005 9.213 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.155 -2.832 10.746 1.00 0.71 H new ATOM 0 HG2 GLU A 121 7.684 -0.407 9.763 1.00 1.18 H new ATOM 0 HG3 GLU A 121 6.529 -0.474 11.079 1.00 1.18 H new ATOM 1632 N PHE A 122 6.467 -4.238 7.493 1.00 0.65 N ATOM 1633 CA PHE A 122 5.734 -5.301 6.809 1.00 0.76 C ATOM 1634 C PHE A 122 6.679 -6.238 6.061 1.00 0.78 C ATOM 1635 O PHE A 122 6.338 -7.388 5.786 1.00 0.89 O ATOM 1636 CB PHE A 122 4.703 -4.708 5.843 1.00 0.86 C ATOM 1637 CG PHE A 122 3.482 -4.157 6.528 1.00 1.36 C ATOM 1638 CD1 PHE A 122 2.268 -4.818 6.437 1.00 2.24 C ATOM 1639 CD2 PHE A 122 3.546 -2.983 7.262 1.00 1.98 C ATOM 1640 CE1 PHE A 122 1.141 -4.319 7.064 1.00 2.95 C ATOM 1641 CE2 PHE A 122 2.424 -2.480 7.892 1.00 2.74 C ATOM 1642 CZ PHE A 122 1.221 -3.148 7.791 1.00 3.02 C ATOM 0 H PHE A 122 6.539 -3.366 6.968 1.00 0.65 H new ATOM 0 HA PHE A 122 5.213 -5.884 7.568 1.00 0.76 H new ATOM 0 HB2 PHE A 122 5.174 -3.913 5.265 1.00 0.86 H new ATOM 0 HB3 PHE A 122 4.396 -5.478 5.135 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.201 -5.734 5.869 1.00 2.24 H new ATOM 0 HD2 PHE A 122 4.485 -2.455 7.342 1.00 1.98 H new ATOM 0 HE1 PHE A 122 0.201 -4.844 6.985 1.00 2.95 H new ATOM 0 HE2 PHE A 122 2.488 -1.565 8.463 1.00 2.74 H new ATOM 0 HZ PHE A 122 0.342 -2.755 8.280 1.00 3.02 H new ATOM 1652 N SER A 123 7.863 -5.741 5.738 1.00 0.72 N ATOM 1653 CA SER A 123 8.860 -6.526 5.029 1.00 0.79 C ATOM 1654 C SER A 123 9.460 -7.594 5.939 1.00 0.81 C ATOM 1655 O SER A 123 9.315 -8.795 5.684 1.00 1.02 O ATOM 1656 CB SER A 123 9.962 -5.606 4.493 1.00 0.82 C ATOM 1657 OG SER A 123 10.983 -6.337 3.838 1.00 1.40 O ATOM 0 H SER A 123 8.158 -4.790 5.958 1.00 0.72 H new ATOM 0 HA SER A 123 8.374 -7.028 4.192 1.00 0.79 H new ATOM 0 HB2 SER A 123 9.529 -4.885 3.800 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.393 -5.037 5.317 1.00 0.82 H new ATOM 0 HG SER A 123 11.740 -5.744 3.649 1.00 1.40 H new ATOM 1663 N GLU A 124 10.125 -7.156 6.997 1.00 0.80 N ATOM 1664 CA GLU A 124 10.779 -8.072 7.914 1.00 1.00 C ATOM 1665 C GLU A 124 9.786 -8.588 8.943 1.00 1.48 C ATOM 1666 O GLU A 124 9.640 -9.798 9.116 1.00 2.09 O ATOM 1667 CB GLU A 124 11.947 -7.382 8.612 1.00 1.88 C ATOM 1668 CG GLU A 124 12.721 -8.298 9.544 1.00 2.61 C ATOM 1669 CD GLU A 124 13.800 -7.565 10.305 1.00 3.54 C ATOM 1670 OE1 GLU A 124 14.923 -7.436 9.778 1.00 4.12 O ATOM 1671 OE2 GLU A 124 13.527 -7.104 11.431 1.00 4.14 O ATOM 0 H GLU A 124 10.225 -6.171 7.241 1.00 0.80 H new ATOM 0 HA GLU A 124 11.163 -8.917 7.343 1.00 1.00 H new ATOM 0 HB2 GLU A 124 12.627 -6.984 7.859 1.00 1.88 H new ATOM 0 HB3 GLU A 124 11.570 -6.532 9.181 1.00 1.88 H new ATOM 0 HG2 GLU A 124 12.031 -8.760 10.251 1.00 2.61 H new ATOM 0 HG3 GLU A 124 13.172 -9.104 8.965 1.00 2.61 H new ATOM 1678 N GLU A 125 9.108 -7.654 9.606 1.00 2.33 N ATOM 1679 CA GLU A 125 8.102 -7.973 10.618 1.00 3.47 C ATOM 1680 C GLU A 125 8.699 -8.816 11.742 1.00 4.34 C ATOM 1681 O GLU A 125 9.251 -8.224 12.694 1.00 4.92 O ATOM 1682 CB GLU A 125 6.903 -8.680 9.977 1.00 4.25 C ATOM 1683 CG GLU A 125 5.749 -8.918 10.935 1.00 4.82 C ATOM 1684 CD GLU A 125 4.537 -9.500 10.243 1.00 5.68 C ATOM 1685 OE1 GLU A 125 4.573 -10.693 9.874 1.00 6.29 O ATOM 1686 OE2 GLU A 125 3.532 -8.772 10.079 1.00 6.07 O ATOM 1687 OXT GLU A 125 8.621 -10.060 11.676 1.00 4.84 O ATOM 0 H GLU A 125 9.240 -6.654 9.457 1.00 2.33 H new ATOM 0 HA GLU A 125 7.753 -7.038 11.058 1.00 3.47 H new ATOM 0 HB2 GLU A 125 6.548 -8.084 9.136 1.00 4.25 H new ATOM 0 HB3 GLU A 125 7.231 -9.638 9.573 1.00 4.25 H new ATOM 0 HG2 GLU A 125 6.071 -9.594 11.727 1.00 4.82 H new ATOM 0 HG3 GLU A 125 5.475 -7.976 11.411 1.00 4.82 H new TER 1694 GLU A 125