USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1098 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 MET CE :methyl -130:sc= -0.935 (180deg=-2.14) USER MOD Set 1.2: A 119 MET CE :methyl -165:sc= -0.0155 (180deg=-0.332) USER MOD Set 1.3: A 126 CYS SG : rot 163:sc= 0.265 USER MOD Set 1.4: A 128 GLN : amide:sc= -0.148 K(o=-0.83,f=-4.3!) USER MOD Set 2.1: A 94 GLN : amide:sc= 1 K(o=2.3,f=-0.077) USER MOD Set 2.2: A 107 THR OG1 : rot -45:sc= 1.3 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 148:sc= 0.301 (180deg=-0.142) USER MOD Set 3.2: A 53 THR OG1 : rot 161:sc= 0.231 USER MOD Set 4.1: A 13 ASN : amide:sc= 0.541 K(o=1.2,f=-1.6) USER MOD Set 4.2: A 34 ASN : amide:sc= 0.242 K(o=1.2,f=-3.6!) USER MOD Set 4.3: A 37 LYS NZ :NH3+ 153:sc= 0.466 (180deg=0.703) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 1.67 K(o=1.7,f=-2.5!) USER MOD Single : A 7 TYR OH : rot -150:sc= 0.0546 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 28:sc= 0.291 USER MOD Single : A 15 ASN : amide:sc= 0.588 K(o=0.59,f=-1.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.00322 K(o=0.0032,f=-0.89) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.913 K(o=0.91,f=-5!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -178:sc= -0.0561 (180deg=-0.0696) USER MOD Single : A 55 SER OG : rot -90:sc= -0.0339 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.024 K(o=0.024,f=-4!) USER MOD Single : A 60 TYR OH : rot -8:sc= 1.19 USER MOD Single : A 62 MET CE :methyl 169:sc=-0.00281 (180deg=-0.131) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 138:sc= 1.26 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -150:sc= -0.115 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 65:sc= 1.21 USER MOD Single : A 85 THR OG1 : rot 110:sc= 1.23 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -168:sc= -0.8 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= 1.11 (180deg=0.469) USER MOD Single : A 108 GLN : amide:sc= -0.081 X(o=-0.081,f=-0.24) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -174:sc= 0.0718 (180deg=0.0644) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.105 -0.828 -0.350 1.00 0.00 N ATOM 2 CA MET A 0 0.755 -2.038 -0.453 1.00 0.00 C ATOM 3 C MET A 0 2.280 -1.665 -0.515 1.00 0.00 C ATOM 4 O MET A 0 2.629 -0.734 -1.254 1.00 0.00 O ATOM 5 CB MET A 0 0.343 -2.895 -1.681 1.00 0.00 C ATOM 6 CG MET A 0 -1.037 -3.574 -1.585 1.00 0.00 C ATOM 7 SD MET A 0 -1.334 -4.552 -3.069 1.00 0.00 S ATOM 8 CE MET A 0 -2.971 -5.192 -2.680 1.00 0.00 C ATOM 0 H1 MET A 0 -1.104 -1.114 -0.311 1.00 0.00 H new ATOM 0 H2 MET A 0 0.138 -0.302 0.514 1.00 0.00 H new ATOM 0 H3 MET A 0 0.049 -0.221 -1.180 1.00 0.00 H new ATOM 0 HA MET A 0 0.604 -2.630 0.450 1.00 0.00 H new ATOM 0 HB2 MET A 0 0.354 -2.259 -2.566 1.00 0.00 H new ATOM 0 HB3 MET A 0 1.098 -3.666 -1.833 1.00 0.00 H new ATOM 0 HG2 MET A 0 -1.079 -4.212 -0.702 1.00 0.00 H new ATOM 0 HG3 MET A 0 -1.817 -2.821 -1.471 1.00 0.00 H new ATOM 0 HE1 MET A 0 -3.317 -5.826 -3.496 1.00 0.00 H new ATOM 0 HE2 MET A 0 -2.924 -5.777 -1.761 1.00 0.00 H new ATOM 0 HE3 MET A 0 -3.664 -4.361 -2.546 1.00 0.00 H new ATOM 19 N PRO A 1 3.233 -2.353 0.187 1.00 0.00 N ATOM 20 CA PRO A 1 4.681 -2.022 0.094 1.00 0.00 C ATOM 21 C PRO A 1 5.408 -2.454 -1.218 1.00 0.00 C ATOM 22 O PRO A 1 4.961 -3.327 -1.970 1.00 0.00 O ATOM 23 CB PRO A 1 5.245 -2.718 1.343 1.00 0.00 C ATOM 24 CG PRO A 1 4.321 -3.903 1.609 1.00 0.00 C ATOM 25 CD PRO A 1 2.938 -3.420 1.167 1.00 0.00 C ATOM 0 HA PRO A 1 4.840 -0.944 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.270 -3.050 1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.265 -2.038 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.632 -4.783 1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.326 -4.181 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.358 -4.226 0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.359 -3.041 2.009 1.00 0.00 H new ATOM 33 N VAL A 2 6.567 -1.825 -1.466 1.00 0.00 N ATOM 34 CA VAL A 2 7.381 -2.067 -2.698 1.00 0.00 C ATOM 35 C VAL A 2 8.235 -3.389 -2.634 1.00 0.00 C ATOM 36 O VAL A 2 8.497 -3.958 -1.567 1.00 0.00 O ATOM 37 CB VAL A 2 8.214 -0.788 -3.080 1.00 0.00 C ATOM 38 CG1 VAL A 2 7.357 0.475 -3.339 1.00 0.00 C ATOM 39 CG2 VAL A 2 9.352 -0.449 -2.095 1.00 0.00 C ATOM 0 H VAL A 2 6.976 -1.137 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 2 6.685 -2.246 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 2 8.671 -1.083 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.008 1.310 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.669 0.285 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.790 0.720 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.873 0.446 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.934 -0.271 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.053 -1.282 -2.049 1.00 0.00 H new ATOM 49 N ASP A 3 8.669 -3.883 -3.808 1.00 0.00 N ATOM 50 CA ASP A 3 9.411 -5.167 -3.925 1.00 0.00 C ATOM 51 C ASP A 3 10.961 -4.970 -3.832 1.00 0.00 C ATOM 52 O ASP A 3 11.602 -4.531 -4.792 1.00 0.00 O ATOM 53 CB ASP A 3 8.948 -5.818 -5.258 1.00 0.00 C ATOM 54 CG ASP A 3 9.486 -7.222 -5.540 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.826 -8.020 -4.671 1.00 0.00 O ATOM 56 OD2 ASP A 3 9.542 -7.488 -6.874 1.00 0.00 O ATOM 0 H ASP A 3 8.520 -3.413 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 3 9.186 -5.829 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.859 -5.861 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.243 -5.165 -6.080 1.00 0.00 H new ATOM 62 N PHE A 4 11.568 -5.371 -2.701 1.00 0.00 N ATOM 63 CA PHE A 4 13.055 -5.409 -2.555 1.00 0.00 C ATOM 64 C PHE A 4 13.775 -6.697 -3.110 1.00 0.00 C ATOM 65 O PHE A 4 15.007 -6.729 -3.069 1.00 0.00 O ATOM 66 CB PHE A 4 13.438 -5.155 -1.062 1.00 0.00 C ATOM 67 CG PHE A 4 13.183 -3.799 -0.354 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.451 -2.743 -0.911 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.746 -3.626 0.919 1.00 0.00 C ATOM 70 CE1 PHE A 4 12.310 -1.536 -0.230 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.592 -2.421 1.602 1.00 0.00 C ATOM 72 CZ PHE A 4 12.872 -1.382 1.028 1.00 0.00 C ATOM 0 H PHE A 4 11.062 -5.675 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 4 13.427 -4.611 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.923 -5.915 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.506 -5.355 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.990 -2.866 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.303 -4.432 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.764 -0.721 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.034 -2.295 2.580 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.749 -0.452 1.563 1.00 0.00 H new ATOM 82 N ASN A 5 13.076 -7.726 -3.645 1.00 0.00 N ATOM 83 CA ASN A 5 13.706 -8.982 -4.159 1.00 0.00 C ATOM 84 C ASN A 5 14.752 -8.755 -5.299 1.00 0.00 C ATOM 85 O ASN A 5 14.386 -8.323 -6.399 1.00 0.00 O ATOM 86 CB ASN A 5 12.604 -9.961 -4.658 1.00 0.00 C ATOM 87 CG ASN A 5 11.860 -10.733 -3.571 1.00 0.00 C ATOM 88 OD1 ASN A 5 12.439 -11.551 -2.866 1.00 0.00 O ATOM 89 ND2 ASN A 5 10.578 -10.524 -3.400 1.00 0.00 N ATOM 0 H ASN A 5 12.060 -7.716 -3.736 1.00 0.00 H new ATOM 0 HA ASN A 5 14.254 -9.406 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.876 -9.394 -5.238 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.063 -10.679 -5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.068 -11.041 -2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.090 -9.844 -3.983 1.00 0.00 H new ATOM 96 N GLY A 6 16.038 -9.050 -5.038 1.00 0.00 N ATOM 97 CA GLY A 6 17.109 -8.814 -6.037 1.00 0.00 C ATOM 98 C GLY A 6 18.543 -8.735 -5.480 1.00 0.00 C ATOM 99 O GLY A 6 18.802 -8.894 -4.283 1.00 0.00 O ATOM 0 H GLY A 6 16.364 -9.447 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.071 -9.613 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.892 -7.883 -6.561 1.00 0.00 H new ATOM 103 N TYR A 7 19.478 -8.480 -6.404 1.00 0.00 N ATOM 104 CA TYR A 7 20.925 -8.334 -6.090 1.00 0.00 C ATOM 105 C TYR A 7 21.355 -6.854 -6.361 1.00 0.00 C ATOM 106 O TYR A 7 21.223 -6.347 -7.482 1.00 0.00 O ATOM 107 CB TYR A 7 21.700 -9.375 -6.950 1.00 0.00 C ATOM 108 CG TYR A 7 23.081 -9.781 -6.414 1.00 0.00 C ATOM 109 CD1 TYR A 7 23.202 -10.862 -5.533 1.00 0.00 C ATOM 110 CD2 TYR A 7 24.234 -9.124 -6.847 1.00 0.00 C ATOM 111 CE1 TYR A 7 24.458 -11.263 -5.079 1.00 0.00 C ATOM 112 CE2 TYR A 7 25.490 -9.545 -6.419 1.00 0.00 C ATOM 113 CZ TYR A 7 25.600 -10.602 -5.517 1.00 0.00 C ATOM 114 OH TYR A 7 26.829 -10.967 -5.038 1.00 0.00 O ATOM 0 H TYR A 7 19.263 -8.367 -7.395 1.00 0.00 H new ATOM 0 HA TYR A 7 21.149 -8.534 -5.042 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.088 -10.272 -7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.824 -8.970 -7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 7 22.318 -11.388 -5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 7 24.151 -8.283 -7.519 1.00 0.00 H new ATOM 0 HE1 TYR A 7 24.544 -12.088 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 7 26.379 -9.053 -6.786 1.00 0.00 H new ATOM 0 HH TYR A 7 27.425 -10.189 -5.039 1.00 0.00 H new ATOM 124 N TRP A 8 21.831 -6.164 -5.316 1.00 0.00 N ATOM 125 CA TRP A 8 22.000 -4.683 -5.315 1.00 0.00 C ATOM 126 C TRP A 8 23.485 -4.310 -5.002 1.00 0.00 C ATOM 127 O TRP A 8 24.000 -4.698 -3.953 1.00 0.00 O ATOM 128 CB TRP A 8 21.069 -4.073 -4.224 1.00 0.00 C ATOM 129 CG TRP A 8 19.558 -4.342 -4.311 1.00 0.00 C ATOM 130 CD1 TRP A 8 18.880 -5.460 -3.767 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.570 -3.534 -4.840 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.491 -5.375 -3.965 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.321 -4.167 -4.614 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.630 -2.270 -5.477 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.124 -3.537 -5.018 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.433 -1.670 -5.875 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.200 -2.294 -5.651 1.00 0.00 C ATOM 0 H TRP A 8 22.113 -6.606 -4.441 1.00 0.00 H new ATOM 0 HA TRP A 8 21.739 -4.287 -6.296 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.414 -4.434 -3.255 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.214 -2.993 -4.232 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.371 -6.279 -3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.775 -6.049 -3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.578 -1.782 -5.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.168 -4.007 -4.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.459 -0.708 -6.364 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.292 -1.806 -5.973 1.00 0.00 H new ATOM 148 N LYS A 9 24.175 -3.535 -5.854 1.00 0.00 N ATOM 149 CA LYS A 9 25.607 -3.147 -5.626 1.00 0.00 C ATOM 150 C LYS A 9 25.773 -1.720 -5.011 1.00 0.00 C ATOM 151 O LYS A 9 25.124 -0.780 -5.481 1.00 0.00 O ATOM 152 CB LYS A 9 26.414 -3.313 -6.946 1.00 0.00 C ATOM 153 CG LYS A 9 26.126 -2.320 -8.102 1.00 0.00 C ATOM 154 CD LYS A 9 27.083 -2.516 -9.291 1.00 0.00 C ATOM 155 CE LYS A 9 26.755 -1.575 -10.459 1.00 0.00 C ATOM 156 NZ LYS A 9 27.669 -1.840 -11.587 1.00 0.00 N ATOM 0 H LYS A 9 23.778 -3.156 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 9 26.014 -3.825 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.474 -3.243 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.239 -4.322 -7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.098 -2.448 -8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.214 -1.299 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.108 -2.342 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.029 -3.550 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.722 -1.719 -10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.849 -0.537 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.443 -1.200 -12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.651 -1.681 -11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.559 -2.826 -11.899 1.00 0.00 H new ATOM 169 N MET A 10 26.665 -1.527 -4.012 1.00 0.00 N ATOM 170 CA MET A 10 26.907 -0.179 -3.410 1.00 0.00 C ATOM 171 C MET A 10 27.689 0.781 -4.363 1.00 0.00 C ATOM 172 O MET A 10 28.784 0.477 -4.845 1.00 0.00 O ATOM 173 CB MET A 10 27.608 -0.313 -2.034 1.00 0.00 C ATOM 174 CG MET A 10 27.563 0.965 -1.156 1.00 0.00 C ATOM 175 SD MET A 10 27.771 0.559 0.597 1.00 0.00 S ATOM 176 CE MET A 10 29.530 0.828 0.900 1.00 0.00 C ATOM 0 H MET A 10 27.227 -2.274 -3.604 1.00 0.00 H new ATOM 0 HA MET A 10 25.931 0.281 -3.256 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.145 -1.132 -1.484 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.650 -0.588 -2.198 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.349 1.653 -1.469 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.613 1.478 -1.303 1.00 0.00 H new ATOM 0 HE1 MET A 10 29.950 -0.044 1.401 1.00 0.00 H new ATOM 0 HE2 MET A 10 30.043 0.984 -0.049 1.00 0.00 H new ATOM 0 HE3 MET A 10 29.660 1.707 1.531 1.00 0.00 H new ATOM 186 N LEU A 11 27.093 1.954 -4.599 1.00 0.00 N ATOM 187 CA LEU A 11 27.680 3.029 -5.442 1.00 0.00 C ATOM 188 C LEU A 11 28.466 4.095 -4.610 1.00 0.00 C ATOM 189 O LEU A 11 29.636 4.359 -4.898 1.00 0.00 O ATOM 190 CB LEU A 11 26.539 3.690 -6.275 1.00 0.00 C ATOM 191 CG LEU A 11 25.752 2.829 -7.298 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.744 3.731 -8.031 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.653 2.137 -8.336 1.00 0.00 C ATOM 0 H LEU A 11 26.181 2.197 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 11 28.416 2.578 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.817 4.105 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.973 4.529 -6.818 1.00 0.00 H new ATOM 0 HG LEU A 11 25.252 2.039 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 11 24.184 3.138 -8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 11 24.055 4.169 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.278 4.526 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 11 26.038 1.552 -9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 11 27.205 2.890 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.356 1.478 -7.826 1.00 0.00 H new ATOM 205 N SER A 12 27.820 4.734 -3.616 1.00 0.00 N ATOM 206 CA SER A 12 28.379 5.901 -2.885 1.00 0.00 C ATOM 207 C SER A 12 28.014 5.816 -1.380 1.00 0.00 C ATOM 208 O SER A 12 26.825 5.765 -1.039 1.00 0.00 O ATOM 209 CB SER A 12 27.850 7.220 -3.497 1.00 0.00 C ATOM 210 OG SER A 12 26.430 7.345 -3.374 1.00 0.00 O ATOM 0 H SER A 12 26.893 4.459 -3.292 1.00 0.00 H new ATOM 0 HA SER A 12 29.465 5.887 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.331 8.065 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.127 7.266 -4.550 1.00 0.00 H new ATOM 0 HG SER A 12 26.125 6.852 -2.584 1.00 0.00 H new ATOM 216 N ASN A 13 29.027 5.850 -0.502 1.00 0.00 N ATOM 217 CA ASN A 13 28.824 5.884 0.973 1.00 0.00 C ATOM 218 C ASN A 13 29.311 7.236 1.582 1.00 0.00 C ATOM 219 O ASN A 13 30.484 7.603 1.474 1.00 0.00 O ATOM 220 CB ASN A 13 29.414 4.607 1.624 1.00 0.00 C ATOM 221 CG ASN A 13 30.932 4.444 1.764 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.493 4.702 2.821 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.637 3.976 0.763 1.00 0.00 N ATOM 0 H ASN A 13 30.008 5.855 -0.781 1.00 0.00 H new ATOM 0 HA ASN A 13 27.759 5.859 1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 13 28.987 4.527 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.049 3.754 1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.641 3.831 0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.182 3.757 -0.123 1.00 0.00 H new ATOM 230 N GLU A 14 28.384 7.977 2.206 1.00 0.00 N ATOM 231 CA GLU A 14 28.646 9.325 2.769 1.00 0.00 C ATOM 232 C GLU A 14 28.503 9.268 4.318 1.00 0.00 C ATOM 233 O GLU A 14 27.476 8.827 4.846 1.00 0.00 O ATOM 234 CB GLU A 14 27.648 10.310 2.094 1.00 0.00 C ATOM 235 CG GLU A 14 27.706 11.789 2.557 1.00 0.00 C ATOM 236 CD GLU A 14 29.033 12.498 2.280 1.00 0.00 C ATOM 237 OE1 GLU A 14 30.014 12.390 3.011 1.00 0.00 O ATOM 238 OE2 GLU A 14 29.000 13.238 1.132 1.00 0.00 O ATOM 0 H GLU A 14 27.423 7.663 2.339 1.00 0.00 H new ATOM 0 HA GLU A 14 29.659 9.672 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.820 10.284 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.637 9.940 2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 14 26.906 12.341 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 14 27.507 11.828 3.628 1.00 0.00 H new ATOM 246 N ASN A 15 29.536 9.732 5.048 1.00 0.00 N ATOM 247 CA ASN A 15 29.556 9.741 6.547 1.00 0.00 C ATOM 248 C ASN A 15 29.589 8.335 7.271 1.00 0.00 C ATOM 249 O ASN A 15 29.270 8.235 8.461 1.00 0.00 O ATOM 250 CB ASN A 15 28.477 10.749 7.061 1.00 0.00 C ATOM 251 CG ASN A 15 28.751 11.383 8.423 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.819 11.933 8.669 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.808 11.367 9.333 1.00 0.00 N ATOM 0 H ASN A 15 30.384 10.113 4.628 1.00 0.00 H new ATOM 0 HA ASN A 15 30.538 10.101 6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.373 11.546 6.325 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.518 10.232 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.965 11.810 10.238 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.917 10.912 9.136 1.00 0.00 H new ATOM 260 N PHE A 16 30.045 7.260 6.588 1.00 0.00 N ATOM 261 CA PHE A 16 30.145 5.891 7.177 1.00 0.00 C ATOM 262 C PHE A 16 31.228 5.719 8.298 1.00 0.00 C ATOM 263 O PHE A 16 30.899 5.153 9.345 1.00 0.00 O ATOM 264 CB PHE A 16 30.231 4.854 6.015 1.00 0.00 C ATOM 265 CG PHE A 16 29.957 3.356 6.293 1.00 0.00 C ATOM 266 CD1 PHE A 16 29.239 2.892 7.404 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.394 2.427 5.341 1.00 0.00 C ATOM 268 CE1 PHE A 16 29.000 1.531 7.578 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.151 1.066 5.511 1.00 0.00 C ATOM 270 CZ PHE A 16 29.455 0.620 6.630 1.00 0.00 C ATOM 0 H PHE A 16 30.354 7.309 5.617 1.00 0.00 H new ATOM 0 HA PHE A 16 29.235 5.701 7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.531 5.174 5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 16 31.232 4.927 5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.867 3.597 8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 16 30.925 2.769 4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.462 1.183 8.448 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.502 0.358 4.775 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.268 -0.435 6.763 1.00 0.00 H new ATOM 280 N GLU A 17 32.461 6.261 8.151 1.00 0.00 N ATOM 281 CA GLU A 17 33.431 6.375 9.291 1.00 0.00 C ATOM 282 C GLU A 17 32.905 7.092 10.584 1.00 0.00 C ATOM 283 O GLU A 17 33.143 6.583 11.680 1.00 0.00 O ATOM 284 CB GLU A 17 34.776 7.032 8.864 1.00 0.00 C ATOM 285 CG GLU A 17 35.653 6.211 7.892 1.00 0.00 C ATOM 286 CD GLU A 17 37.136 6.578 7.924 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.889 6.243 8.835 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.515 7.312 6.836 1.00 0.00 O ATOM 0 H GLU A 17 32.815 6.626 7.267 1.00 0.00 H new ATOM 0 HA GLU A 17 33.584 5.331 9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.556 7.993 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.358 7.237 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.547 5.153 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 17 35.278 6.348 6.878 1.00 0.00 H new ATOM 296 N GLU A 18 32.207 8.240 10.475 1.00 0.00 N ATOM 297 CA GLU A 18 31.594 8.935 11.648 1.00 0.00 C ATOM 298 C GLU A 18 30.436 8.147 12.359 1.00 0.00 C ATOM 299 O GLU A 18 30.430 8.066 13.589 1.00 0.00 O ATOM 300 CB GLU A 18 31.168 10.349 11.176 1.00 0.00 C ATOM 301 CG GLU A 18 30.963 11.384 12.309 1.00 0.00 C ATOM 302 CD GLU A 18 30.362 12.697 11.811 1.00 0.00 C ATOM 303 OE1 GLU A 18 29.157 12.891 11.676 1.00 0.00 O ATOM 304 OE2 GLU A 18 31.312 13.625 11.515 1.00 0.00 O ATOM 0 H GLU A 18 32.048 8.715 9.587 1.00 0.00 H new ATOM 0 HA GLU A 18 32.341 9.003 12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.924 10.729 10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.240 10.263 10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.311 10.957 13.071 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.921 11.587 12.787 1.00 0.00 H new ATOM 312 N TYR A 19 29.496 7.536 11.607 1.00 0.00 N ATOM 313 CA TYR A 19 28.548 6.503 12.137 1.00 0.00 C ATOM 314 C TYR A 19 29.228 5.297 12.872 1.00 0.00 C ATOM 315 O TYR A 19 28.823 4.956 13.984 1.00 0.00 O ATOM 316 CB TYR A 19 27.643 6.082 10.940 1.00 0.00 C ATOM 317 CG TYR A 19 26.738 4.845 11.120 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.488 4.937 11.739 1.00 0.00 C ATOM 319 CD2 TYR A 19 27.192 3.597 10.678 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.706 3.794 11.907 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.405 2.460 10.835 1.00 0.00 C ATOM 322 CZ TYR A 19 25.158 2.563 11.447 1.00 0.00 C ATOM 323 OH TYR A 19 24.381 1.448 11.615 1.00 0.00 O ATOM 0 H TYR A 19 29.364 7.737 10.616 1.00 0.00 H new ATOM 0 HA TYR A 19 27.950 6.934 12.940 1.00 0.00 H new ATOM 0 HB2 TYR A 19 27.005 6.929 10.689 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.288 5.902 10.080 1.00 0.00 H new ATOM 0 HD1 TYR A 19 25.127 5.894 12.087 1.00 0.00 H new ATOM 0 HD2 TYR A 19 28.162 3.516 10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.746 3.866 12.396 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.760 1.502 10.484 1.00 0.00 H new ATOM 0 HH TYR A 19 24.840 0.669 11.237 1.00 0.00 H new ATOM 333 N LEU A 20 30.253 4.670 12.270 1.00 0.00 N ATOM 334 CA LEU A 20 31.070 3.629 12.950 1.00 0.00 C ATOM 335 C LEU A 20 31.875 4.143 14.197 1.00 0.00 C ATOM 336 O LEU A 20 31.840 3.480 15.236 1.00 0.00 O ATOM 337 CB LEU A 20 31.955 2.918 11.892 1.00 0.00 C ATOM 338 CG LEU A 20 31.236 2.099 10.783 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.228 1.722 9.671 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.559 0.824 11.317 1.00 0.00 C ATOM 0 H LEU A 20 30.543 4.861 11.311 1.00 0.00 H new ATOM 0 HA LEU A 20 30.388 2.902 13.391 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.570 3.675 11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.634 2.247 12.418 1.00 0.00 H new ATOM 0 HG LEU A 20 30.450 2.742 10.387 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.711 1.149 8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.643 2.629 9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.034 1.121 10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.075 0.297 10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.309 0.177 11.771 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.813 1.094 12.064 1.00 0.00 H new ATOM 352 N ARG A 21 32.522 5.327 14.155 1.00 0.00 N ATOM 353 CA ARG A 21 33.053 6.018 15.374 1.00 0.00 C ATOM 354 C ARG A 21 32.011 6.268 16.524 1.00 0.00 C ATOM 355 O ARG A 21 32.296 5.941 17.679 1.00 0.00 O ATOM 356 CB ARG A 21 33.752 7.322 14.900 1.00 0.00 C ATOM 357 CG ARG A 21 34.579 8.057 15.985 1.00 0.00 C ATOM 358 CD ARG A 21 35.254 9.364 15.513 1.00 0.00 C ATOM 359 NE ARG A 21 34.290 10.445 15.158 1.00 0.00 N ATOM 360 CZ ARG A 21 33.661 11.239 16.025 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.792 11.166 17.332 1.00 0.00 N ATOM 362 NH2 ARG A 21 32.860 12.149 15.545 1.00 0.00 N ATOM 0 H ARG A 21 32.696 5.836 13.288 1.00 0.00 H new ATOM 0 HA ARG A 21 33.762 5.346 15.858 1.00 0.00 H new ATOM 0 HB2 ARG A 21 34.410 7.080 14.066 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.993 8.005 14.519 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.925 8.286 16.827 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.349 7.380 16.355 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.916 9.725 16.300 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.878 9.147 14.646 1.00 0.00 H new ATOM 0 HE ARG A 21 34.095 10.589 14.167 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.409 10.466 17.744 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.277 11.809 17.933 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.732 12.235 14.537 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.362 12.775 16.178 1.00 0.00 H new ATOM 376 N ALA A 22 30.800 6.771 16.209 1.00 0.00 N ATOM 377 CA ALA A 22 29.639 6.747 17.138 1.00 0.00 C ATOM 378 C ALA A 22 29.197 5.342 17.674 1.00 0.00 C ATOM 379 O ALA A 22 28.774 5.250 18.826 1.00 0.00 O ATOM 380 CB ALA A 22 28.486 7.465 16.411 1.00 0.00 C ATOM 0 H ALA A 22 30.594 7.205 15.309 1.00 0.00 H new ATOM 0 HA ALA A 22 29.943 7.251 18.056 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.604 7.477 17.051 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.782 8.489 16.182 1.00 0.00 H new ATOM 0 HB3 ALA A 22 28.256 6.938 15.485 1.00 0.00 H new ATOM 386 N LEU A 23 29.355 4.253 16.895 1.00 0.00 N ATOM 387 CA LEU A 23 29.228 2.853 17.399 1.00 0.00 C ATOM 388 C LEU A 23 30.546 2.261 18.019 1.00 0.00 C ATOM 389 O LEU A 23 30.760 1.046 17.990 1.00 0.00 O ATOM 390 CB LEU A 23 28.701 2.009 16.197 1.00 0.00 C ATOM 391 CG LEU A 23 27.244 2.280 15.745 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.969 1.610 14.392 1.00 0.00 C ATOM 393 CD2 LEU A 23 26.215 1.775 16.774 1.00 0.00 C ATOM 0 H LEU A 23 29.574 4.309 15.900 1.00 0.00 H new ATOM 0 HA LEU A 23 28.537 2.829 18.241 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.359 2.181 15.345 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.786 0.954 16.458 1.00 0.00 H new ATOM 0 HG LEU A 23 27.137 3.361 15.655 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.941 1.810 14.089 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.652 2.009 13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.118 0.534 14.482 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.208 1.986 16.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.334 0.700 16.910 1.00 0.00 H new ATOM 0 HD23 LEU A 23 26.374 2.281 17.726 1.00 0.00 H new ATOM 405 N ASP A 24 31.420 3.095 18.620 1.00 0.00 N ATOM 406 CA ASP A 24 32.662 2.651 19.335 1.00 0.00 C ATOM 407 C ASP A 24 33.778 1.957 18.467 1.00 0.00 C ATOM 408 O ASP A 24 34.666 1.302 19.021 1.00 0.00 O ATOM 409 CB ASP A 24 32.321 1.836 20.627 1.00 0.00 C ATOM 410 CG ASP A 24 31.332 2.455 21.619 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.161 2.093 21.720 1.00 0.00 O ATOM 412 OD2 ASP A 24 31.902 3.442 22.371 1.00 0.00 O ATOM 0 H ASP A 24 31.293 4.107 18.630 1.00 0.00 H new ATOM 0 HA ASP A 24 33.137 3.589 19.620 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.925 0.868 20.318 1.00 0.00 H new ATOM 0 HB3 ASP A 24 33.253 1.644 21.158 1.00 0.00 H new ATOM 418 N VAL A 25 33.771 2.104 17.127 1.00 0.00 N ATOM 419 CA VAL A 25 34.628 1.281 16.218 1.00 0.00 C ATOM 420 C VAL A 25 36.036 1.948 16.018 1.00 0.00 C ATOM 421 O VAL A 25 36.179 3.169 15.899 1.00 0.00 O ATOM 422 CB VAL A 25 33.861 0.995 14.879 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.660 0.176 13.840 1.00 0.00 C ATOM 424 CG2 VAL A 25 32.512 0.250 15.061 1.00 0.00 C ATOM 0 H VAL A 25 33.185 2.782 16.640 1.00 0.00 H new ATOM 0 HA VAL A 25 34.830 0.312 16.674 1.00 0.00 H new ATOM 0 HB VAL A 25 33.694 2.008 14.514 1.00 0.00 H new ATOM 0 HG11 VAL A 25 34.051 0.027 12.948 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.569 0.715 13.573 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.924 -0.793 14.265 1.00 0.00 H new ATOM 0 HG21 VAL A 25 32.049 0.093 14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.690 -0.714 15.538 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.848 0.847 15.686 1.00 0.00 H new ATOM 434 N ASN A 26 37.081 1.107 15.948 1.00 0.00 N ATOM 435 CA ASN A 26 38.486 1.533 15.715 1.00 0.00 C ATOM 436 C ASN A 26 38.806 2.027 14.261 1.00 0.00 C ATOM 437 O ASN A 26 38.137 1.651 13.292 1.00 0.00 O ATOM 438 CB ASN A 26 39.378 0.333 16.161 1.00 0.00 C ATOM 439 CG ASN A 26 39.151 -1.020 15.455 1.00 0.00 C ATOM 440 OD1 ASN A 26 38.206 -1.748 15.735 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.974 -1.381 14.511 1.00 0.00 N ATOM 0 H ASN A 26 36.981 0.097 16.052 1.00 0.00 H new ATOM 0 HA ASN A 26 38.691 2.429 16.301 1.00 0.00 H new ATOM 0 HB2 ASN A 26 40.421 0.617 16.018 1.00 0.00 H new ATOM 0 HB3 ASN A 26 39.232 0.184 17.231 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.827 -2.260 14.015 1.00 0.00 H new ATOM 0 HD22 ASN A 26 40.765 -0.784 14.268 1.00 0.00 H new ATOM 448 N VAL A 27 39.870 2.846 14.113 1.00 0.00 N ATOM 449 CA VAL A 27 40.274 3.468 12.801 1.00 0.00 C ATOM 450 C VAL A 27 40.479 2.455 11.614 1.00 0.00 C ATOM 451 O VAL A 27 40.010 2.731 10.508 1.00 0.00 O ATOM 452 CB VAL A 27 41.493 4.450 12.991 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.925 5.177 11.690 1.00 0.00 C ATOM 454 CG2 VAL A 27 41.253 5.573 14.031 1.00 0.00 C ATOM 0 H VAL A 27 40.481 3.104 14.888 1.00 0.00 H new ATOM 0 HA VAL A 27 39.414 4.055 12.480 1.00 0.00 H new ATOM 0 HB VAL A 27 42.270 3.767 13.335 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.768 5.834 11.903 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.219 4.441 10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 27 41.092 5.768 11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 27 42.141 6.202 14.099 1.00 0.00 H new ATOM 0 HG22 VAL A 27 40.402 6.179 13.722 1.00 0.00 H new ATOM 0 HG23 VAL A 27 41.048 5.129 15.005 1.00 0.00 H new ATOM 464 N ALA A 28 41.129 1.293 11.830 1.00 0.00 N ATOM 465 CA ALA A 28 41.246 0.225 10.796 1.00 0.00 C ATOM 466 C ALA A 28 39.895 -0.373 10.275 1.00 0.00 C ATOM 467 O ALA A 28 39.666 -0.355 9.065 1.00 0.00 O ATOM 468 CB ALA A 28 42.215 -0.842 11.340 1.00 0.00 C ATOM 0 H ALA A 28 41.585 1.063 12.713 1.00 0.00 H new ATOM 0 HA ALA A 28 41.642 0.680 9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.325 -1.641 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.187 -0.388 11.530 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.819 -1.253 12.269 1.00 0.00 H new ATOM 474 N LEU A 29 38.983 -0.836 11.155 1.00 0.00 N ATOM 475 CA LEU A 29 37.588 -1.215 10.763 1.00 0.00 C ATOM 476 C LEU A 29 36.723 -0.076 10.119 1.00 0.00 C ATOM 477 O LEU A 29 36.058 -0.329 9.111 1.00 0.00 O ATOM 478 CB LEU A 29 36.883 -1.885 11.986 1.00 0.00 C ATOM 479 CG LEU A 29 36.799 -3.434 12.041 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.817 -3.988 10.995 1.00 0.00 C ATOM 481 CD2 LEU A 29 38.163 -4.139 11.935 1.00 0.00 C ATOM 0 H LEU A 29 39.178 -0.961 12.148 1.00 0.00 H new ATOM 0 HA LEU A 29 37.680 -1.927 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.396 -1.550 12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.866 -1.497 12.035 1.00 0.00 H new ATOM 0 HG LEU A 29 36.416 -3.662 13.036 1.00 0.00 H new ATOM 0 HD11 LEU A 29 35.786 -5.075 11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 29 34.822 -3.584 11.180 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.146 -3.698 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.019 -5.218 11.981 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.636 -3.876 10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.801 -3.822 12.760 1.00 0.00 H new ATOM 493 N ARG A 30 36.768 1.166 10.645 1.00 0.00 N ATOM 494 CA ARG A 30 36.265 2.383 9.935 1.00 0.00 C ATOM 495 C ARG A 30 36.813 2.590 8.477 1.00 0.00 C ATOM 496 O ARG A 30 36.017 2.653 7.535 1.00 0.00 O ATOM 497 CB ARG A 30 36.577 3.615 10.829 1.00 0.00 C ATOM 498 CG ARG A 30 35.638 3.872 12.033 1.00 0.00 C ATOM 499 CD ARG A 30 36.260 4.716 13.161 1.00 0.00 C ATOM 500 NE ARG A 30 36.753 6.045 12.709 1.00 0.00 N ATOM 501 CZ ARG A 30 37.472 6.878 13.454 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.745 6.685 14.728 1.00 0.00 N ATOM 503 NH2 ARG A 30 37.936 7.955 12.885 1.00 0.00 N ATOM 0 H ARG A 30 37.151 1.364 11.570 1.00 0.00 H new ATOM 0 HA ARG A 30 35.193 2.249 9.787 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.593 3.507 11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.566 4.503 10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.739 4.373 11.675 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.326 2.912 12.445 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.518 4.861 13.946 1.00 0.00 H new ATOM 0 HD3 ARG A 30 37.088 4.162 13.603 1.00 0.00 H new ATOM 0 HE ARG A 30 36.523 6.338 11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.397 5.852 15.204 1.00 0.00 H new ATOM 0 HH12 ARG A 30 38.304 7.368 15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 30 37.743 8.135 11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 30 38.492 8.618 13.425 1.00 0.00 H new ATOM 517 N LYS A 31 38.146 2.671 8.290 1.00 0.00 N ATOM 518 CA LYS A 31 38.790 2.759 6.946 1.00 0.00 C ATOM 519 C LYS A 31 38.498 1.554 5.991 1.00 0.00 C ATOM 520 O LYS A 31 38.114 1.784 4.844 1.00 0.00 O ATOM 521 CB LYS A 31 40.321 2.984 7.126 1.00 0.00 C ATOM 522 CG LYS A 31 40.770 4.347 7.707 1.00 0.00 C ATOM 523 CD LYS A 31 40.675 5.526 6.713 1.00 0.00 C ATOM 524 CE LYS A 31 41.048 6.893 7.315 1.00 0.00 C ATOM 525 NZ LYS A 31 42.499 7.016 7.562 1.00 0.00 N ATOM 0 H LYS A 31 38.814 2.678 9.061 1.00 0.00 H new ATOM 0 HA LYS A 31 38.336 3.611 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.705 2.197 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.798 2.857 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 31 40.160 4.574 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.801 4.260 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 31 41.329 5.325 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.658 5.578 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.728 7.686 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 31 40.508 7.035 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 42.704 7.952 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 42.802 6.276 8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 43.014 6.907 6.665 1.00 0.00 H new ATOM 538 N ILE A 32 38.620 0.292 6.453 1.00 0.00 N ATOM 539 CA ILE A 32 38.207 -0.924 5.677 1.00 0.00 C ATOM 540 C ILE A 32 36.700 -0.874 5.228 1.00 0.00 C ATOM 541 O ILE A 32 36.443 -0.935 4.024 1.00 0.00 O ATOM 542 CB ILE A 32 38.636 -2.227 6.457 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.185 -2.380 6.601 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.074 -3.536 5.840 1.00 0.00 C ATOM 545 CD1 ILE A 32 40.651 -3.335 7.717 1.00 0.00 C ATOM 0 H ILE A 32 39.006 0.074 7.372 1.00 0.00 H new ATOM 0 HA ILE A 32 38.744 -0.946 4.728 1.00 0.00 H new ATOM 0 HB ILE A 32 38.195 -2.085 7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.589 -2.732 5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.615 -1.396 6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.410 -4.389 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 32 36.985 -3.501 5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.432 -3.638 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.740 -3.371 7.734 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.285 -2.976 8.679 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.258 -4.334 7.529 1.00 0.00 H new ATOM 557 N ALA A 33 35.725 -0.729 6.151 1.00 0.00 N ATOM 558 CA ALA A 33 34.283 -0.606 5.796 1.00 0.00 C ATOM 559 C ALA A 33 33.861 0.581 4.868 1.00 0.00 C ATOM 560 O ALA A 33 33.106 0.362 3.918 1.00 0.00 O ATOM 561 CB ALA A 33 33.500 -0.617 7.122 1.00 0.00 C ATOM 0 H ALA A 33 35.906 -0.693 7.154 1.00 0.00 H new ATOM 0 HA ALA A 33 34.043 -1.454 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.433 -0.529 6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.691 -1.551 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.820 0.221 7.741 1.00 0.00 H new ATOM 567 N ASN A 34 34.366 1.806 5.102 1.00 0.00 N ATOM 568 CA ASN A 34 34.159 2.964 4.179 1.00 0.00 C ATOM 569 C ASN A 34 34.856 2.870 2.774 1.00 0.00 C ATOM 570 O ASN A 34 34.359 3.473 1.818 1.00 0.00 O ATOM 571 CB ASN A 34 34.551 4.247 4.973 1.00 0.00 C ATOM 572 CG ASN A 34 33.990 5.608 4.522 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.319 6.310 5.271 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.283 6.075 3.335 1.00 0.00 N ATOM 0 H ASN A 34 34.925 2.032 5.925 1.00 0.00 H new ATOM 0 HA ASN A 34 33.109 2.978 3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.252 4.096 6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.638 4.320 4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 34 33.955 6.999 3.055 1.00 0.00 H new ATOM 0 HD22 ASN A 34 34.840 5.515 2.690 1.00 0.00 H new ATOM 581 N LEU A 35 35.980 2.146 2.634 1.00 0.00 N ATOM 582 CA LEU A 35 36.600 1.855 1.307 1.00 0.00 C ATOM 583 C LEU A 35 35.941 0.692 0.490 1.00 0.00 C ATOM 584 O LEU A 35 35.976 0.744 -0.743 1.00 0.00 O ATOM 585 CB LEU A 35 38.126 1.611 1.504 1.00 0.00 C ATOM 586 CG LEU A 35 38.987 2.837 1.922 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.403 2.390 2.323 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.082 3.900 0.813 1.00 0.00 C ATOM 0 H LEU A 35 36.488 1.745 3.422 1.00 0.00 H new ATOM 0 HA LEU A 35 36.420 2.735 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.251 0.836 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.529 1.215 0.572 1.00 0.00 H new ATOM 0 HG LEU A 35 38.485 3.292 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 35 40.991 3.261 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.342 1.698 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 35 40.881 1.894 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.694 4.733 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.536 3.460 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.083 4.261 0.569 1.00 0.00 H new ATOM 600 N LEU A 36 35.373 -0.350 1.132 1.00 0.00 N ATOM 601 CA LEU A 36 34.761 -1.506 0.410 1.00 0.00 C ATOM 602 C LEU A 36 33.312 -1.246 -0.120 1.00 0.00 C ATOM 603 O LEU A 36 32.511 -0.541 0.502 1.00 0.00 O ATOM 604 CB LEU A 36 34.956 -2.842 1.181 1.00 0.00 C ATOM 605 CG LEU A 36 34.294 -3.006 2.567 1.00 0.00 C ATOM 606 CD1 LEU A 36 32.780 -3.275 2.516 1.00 0.00 C ATOM 607 CD2 LEU A 36 35.006 -4.100 3.381 1.00 0.00 C ATOM 0 H LEU A 36 35.321 -0.423 2.148 1.00 0.00 H new ATOM 0 HA LEU A 36 35.326 -1.622 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.590 -3.647 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.028 -2.997 1.307 1.00 0.00 H new ATOM 0 HG LEU A 36 34.408 -2.042 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 36 32.394 -3.377 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 36 32.279 -2.444 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 36 32.592 -4.195 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 36 34.525 -4.201 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 36 34.946 -5.048 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.052 -3.827 3.520 1.00 0.00 H new ATOM 619 N LYS A 37 32.984 -1.839 -1.282 1.00 0.00 N ATOM 620 CA LYS A 37 31.666 -1.651 -1.952 1.00 0.00 C ATOM 621 C LYS A 37 30.895 -3.022 -1.950 1.00 0.00 C ATOM 622 O LYS A 37 31.127 -3.828 -2.859 1.00 0.00 O ATOM 623 CB LYS A 37 31.883 -1.058 -3.376 1.00 0.00 C ATOM 624 CG LYS A 37 32.571 0.329 -3.469 1.00 0.00 C ATOM 625 CD LYS A 37 31.704 1.512 -2.994 1.00 0.00 C ATOM 626 CE LYS A 37 32.498 2.826 -2.993 1.00 0.00 C ATOM 627 NZ LYS A 37 31.603 3.963 -2.712 1.00 0.00 N ATOM 0 H LYS A 37 33.615 -2.460 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 37 31.046 -0.934 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.477 -1.769 -3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.911 -0.986 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.486 0.306 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.865 0.505 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.835 1.611 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.330 1.311 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 37 33.287 2.781 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.984 2.966 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.147 4.732 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 31.183 4.302 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 30.847 3.658 -2.066 1.00 0.00 H new ATOM 640 N PRO A 38 30.006 -3.360 -0.965 1.00 0.00 N ATOM 641 CA PRO A 38 29.357 -4.693 -0.885 1.00 0.00 C ATOM 642 C PRO A 38 28.121 -4.884 -1.818 1.00 0.00 C ATOM 643 O PRO A 38 27.542 -3.932 -2.359 1.00 0.00 O ATOM 644 CB PRO A 38 28.993 -4.747 0.616 1.00 0.00 C ATOM 645 CG PRO A 38 28.678 -3.306 1.006 1.00 0.00 C ATOM 646 CD PRO A 38 29.688 -2.504 0.190 1.00 0.00 C ATOM 0 HA PRO A 38 30.001 -5.500 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.136 -5.398 0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 38 29.819 -5.143 1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.652 -3.035 0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.801 -3.141 2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.269 -1.549 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 38 30.581 -2.281 0.775 1.00 0.00 H new ATOM 654 N ASP A 39 27.703 -6.151 -1.956 1.00 0.00 N ATOM 655 CA ASP A 39 26.455 -6.503 -2.683 1.00 0.00 C ATOM 656 C ASP A 39 25.340 -6.911 -1.676 1.00 0.00 C ATOM 657 O ASP A 39 25.461 -7.905 -0.958 1.00 0.00 O ATOM 658 CB ASP A 39 26.717 -7.624 -3.713 1.00 0.00 C ATOM 659 CG ASP A 39 27.625 -7.246 -4.886 1.00 0.00 C ATOM 660 OD1 ASP A 39 27.521 -6.206 -5.530 1.00 0.00 O ATOM 661 OD2 ASP A 39 28.547 -8.212 -5.157 1.00 0.00 O ATOM 0 H ASP A 39 28.204 -6.955 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 39 26.113 -5.625 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.160 -8.474 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.759 -7.958 -4.111 1.00 0.00 H new ATOM 667 N LYS A 40 24.227 -6.169 -1.654 1.00 0.00 N ATOM 668 CA LYS A 40 23.004 -6.572 -0.915 1.00 0.00 C ATOM 669 C LYS A 40 22.152 -7.552 -1.773 1.00 0.00 C ATOM 670 O LYS A 40 21.501 -7.151 -2.737 1.00 0.00 O ATOM 671 CB LYS A 40 22.211 -5.318 -0.442 1.00 0.00 C ATOM 672 CG LYS A 40 22.581 -4.882 0.990 1.00 0.00 C ATOM 673 CD LYS A 40 21.817 -3.637 1.483 1.00 0.00 C ATOM 674 CE LYS A 40 22.050 -3.310 2.970 1.00 0.00 C ATOM 675 NZ LYS A 40 23.427 -2.845 3.243 1.00 0.00 N ATOM 0 H LYS A 40 24.139 -5.277 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 40 23.286 -7.114 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.401 -4.493 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.143 -5.531 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.386 -5.709 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.651 -4.679 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 40 22.115 -2.778 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.750 -3.788 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.343 -2.542 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.845 -4.197 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.414 -2.163 4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.023 -3.658 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.814 -2.387 2.393 1.00 0.00 H new ATOM 688 N GLU A 41 22.142 -8.839 -1.405 1.00 0.00 N ATOM 689 CA GLU A 41 21.132 -9.806 -1.904 1.00 0.00 C ATOM 690 C GLU A 41 19.931 -9.821 -0.915 1.00 0.00 C ATOM 691 O GLU A 41 20.067 -10.234 0.243 1.00 0.00 O ATOM 692 CB GLU A 41 21.792 -11.194 -2.076 1.00 0.00 C ATOM 693 CG GLU A 41 20.882 -12.253 -2.747 1.00 0.00 C ATOM 694 CD GLU A 41 21.538 -13.631 -2.799 1.00 0.00 C ATOM 695 OE1 GLU A 41 21.580 -14.403 -1.847 1.00 0.00 O ATOM 696 OE2 GLU A 41 22.087 -13.900 -4.015 1.00 0.00 O ATOM 0 H GLU A 41 22.821 -9.245 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 41 20.751 -9.515 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.698 -11.081 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.097 -11.562 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 41 19.942 -12.321 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.638 -11.931 -3.759 1.00 0.00 H new ATOM 704 N ILE A 42 18.768 -9.345 -1.380 1.00 0.00 N ATOM 705 CA ILE A 42 17.547 -9.248 -0.528 1.00 0.00 C ATOM 706 C ILE A 42 16.534 -10.331 -1.015 1.00 0.00 C ATOM 707 O ILE A 42 16.115 -10.329 -2.177 1.00 0.00 O ATOM 708 CB ILE A 42 16.975 -7.784 -0.470 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.015 -6.766 0.096 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.658 -7.739 0.357 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.643 -5.278 -0.008 1.00 0.00 C ATOM 0 H ILE A 42 18.634 -9.019 -2.337 1.00 0.00 H new ATOM 0 HA ILE A 42 17.786 -9.460 0.514 1.00 0.00 H new ATOM 0 HB ILE A 42 16.756 -7.485 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.187 -7.002 1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.960 -6.919 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.280 -6.717 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.915 -8.389 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.855 -8.080 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.443 -4.672 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.503 -5.010 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.718 -5.095 0.540 1.00 0.00 H new ATOM 723 N VAL A 43 16.115 -11.223 -0.099 1.00 0.00 N ATOM 724 CA VAL A 43 14.990 -12.176 -0.343 1.00 0.00 C ATOM 725 C VAL A 43 13.786 -11.682 0.527 1.00 0.00 C ATOM 726 O VAL A 43 13.762 -11.897 1.742 1.00 0.00 O ATOM 727 CB VAL A 43 15.423 -13.659 -0.059 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.270 -14.674 -0.252 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.599 -14.144 -0.941 1.00 0.00 C ATOM 0 H VAL A 43 16.535 -11.312 0.826 1.00 0.00 H new ATOM 0 HA VAL A 43 14.688 -12.187 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 43 15.734 -13.629 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.632 -15.680 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.454 -14.432 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.911 -14.626 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.842 -15.176 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.314 -14.085 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.470 -13.513 -0.765 1.00 0.00 H new ATOM 739 N GLN A 44 12.799 -11.021 -0.103 1.00 0.00 N ATOM 740 CA GLN A 44 11.550 -10.564 0.565 1.00 0.00 C ATOM 741 C GLN A 44 10.391 -11.578 0.286 1.00 0.00 C ATOM 742 O GLN A 44 9.735 -11.527 -0.761 1.00 0.00 O ATOM 743 CB GLN A 44 11.253 -9.123 0.052 1.00 0.00 C ATOM 744 CG GLN A 44 9.967 -8.452 0.614 1.00 0.00 C ATOM 745 CD GLN A 44 9.644 -7.092 -0.023 1.00 0.00 C ATOM 746 OE1 GLN A 44 10.484 -6.210 -0.148 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.420 -6.839 -0.420 1.00 0.00 N ATOM 0 H GLN A 44 12.838 -10.784 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 44 11.654 -10.530 1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.106 -8.489 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.178 -9.154 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.122 -9.124 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.079 -8.321 1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.697 -7.553 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.191 -5.929 -0.819 1.00 0.00 H new ATOM 756 N ASP A 45 10.093 -12.456 1.257 1.00 0.00 N ATOM 757 CA ASP A 45 8.870 -13.306 1.237 1.00 0.00 C ATOM 758 C ASP A 45 7.712 -12.610 2.037 1.00 0.00 C ATOM 759 O ASP A 45 7.388 -12.993 3.167 1.00 0.00 O ATOM 760 CB ASP A 45 9.315 -14.698 1.763 1.00 0.00 C ATOM 761 CG ASP A 45 8.240 -15.780 1.680 1.00 0.00 C ATOM 762 OD1 ASP A 45 7.799 -16.222 0.624 1.00 0.00 O ATOM 763 OD2 ASP A 45 7.821 -16.195 2.907 1.00 0.00 O ATOM 0 H ASP A 45 10.682 -12.604 2.077 1.00 0.00 H new ATOM 0 HA ASP A 45 8.443 -13.442 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.186 -15.025 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.631 -14.596 2.801 1.00 0.00 H new ATOM 769 N GLY A 46 7.111 -11.555 1.446 1.00 0.00 N ATOM 770 CA GLY A 46 6.080 -10.717 2.124 1.00 0.00 C ATOM 771 C GLY A 46 6.587 -9.917 3.348 1.00 0.00 C ATOM 772 O GLY A 46 7.220 -8.869 3.199 1.00 0.00 O ATOM 0 H GLY A 46 7.320 -11.256 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.667 -10.017 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.262 -11.363 2.445 1.00 0.00 H new ATOM 776 N ASP A 47 6.331 -10.457 4.549 1.00 0.00 N ATOM 777 CA ASP A 47 7.008 -10.009 5.802 1.00 0.00 C ATOM 778 C ASP A 47 8.419 -10.630 6.093 1.00 0.00 C ATOM 779 O ASP A 47 9.229 -9.964 6.736 1.00 0.00 O ATOM 780 CB ASP A 47 6.032 -10.157 7.003 1.00 0.00 C ATOM 781 CG ASP A 47 5.700 -11.581 7.464 1.00 0.00 C ATOM 782 OD1 ASP A 47 6.299 -12.163 8.362 1.00 0.00 O ATOM 783 OD2 ASP A 47 4.679 -12.132 6.751 1.00 0.00 O ATOM 0 H ASP A 47 5.658 -11.210 4.692 1.00 0.00 H new ATOM 0 HA ASP A 47 7.250 -8.958 5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.455 -9.617 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.098 -9.660 6.742 1.00 0.00 H new ATOM 789 N HIS A 48 8.729 -11.879 5.692 1.00 0.00 N ATOM 790 CA HIS A 48 10.038 -12.519 6.006 1.00 0.00 C ATOM 791 C HIS A 48 11.148 -12.026 5.027 1.00 0.00 C ATOM 792 O HIS A 48 11.157 -12.367 3.842 1.00 0.00 O ATOM 793 CB HIS A 48 9.869 -14.061 6.046 1.00 0.00 C ATOM 794 CG HIS A 48 11.095 -14.896 6.450 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.199 -16.240 6.123 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.224 -14.484 7.195 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.411 -16.519 6.702 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.099 -15.539 7.366 1.00 0.00 N ATOM 0 H HIS A 48 8.098 -12.470 5.151 1.00 0.00 H new ATOM 0 HA HIS A 48 10.374 -12.216 6.998 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.060 -14.293 6.738 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.548 -14.391 5.058 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.380 -13.486 7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.824 -17.515 6.634 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.997 -15.577 7.847 1.00 0.00 H new ATOM 806 N MET A 49 12.073 -11.209 5.547 1.00 0.00 N ATOM 807 CA MET A 49 13.100 -10.521 4.739 1.00 0.00 C ATOM 808 C MET A 49 14.518 -10.970 5.186 1.00 0.00 C ATOM 809 O MET A 49 14.894 -10.839 6.358 1.00 0.00 O ATOM 810 CB MET A 49 12.867 -9.001 4.897 1.00 0.00 C ATOM 811 CG MET A 49 13.576 -8.153 3.826 1.00 0.00 C ATOM 812 SD MET A 49 13.220 -6.414 4.109 1.00 0.00 S ATOM 813 CE MET A 49 11.569 -6.276 3.399 1.00 0.00 C ATOM 0 H MET A 49 12.134 -11.003 6.544 1.00 0.00 H new ATOM 0 HA MET A 49 13.025 -10.778 3.683 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.796 -8.800 4.857 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.213 -8.690 5.883 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.652 -8.326 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.240 -8.447 2.832 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.228 -5.243 3.468 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.596 -6.580 2.353 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.882 -6.922 3.946 1.00 0.00 H new ATOM 823 N ILE A 50 15.307 -11.488 4.232 1.00 0.00 N ATOM 824 CA ILE A 50 16.726 -11.868 4.483 1.00 0.00 C ATOM 825 C ILE A 50 17.618 -10.802 3.767 1.00 0.00 C ATOM 826 O ILE A 50 17.742 -10.816 2.538 1.00 0.00 O ATOM 827 CB ILE A 50 17.041 -13.353 4.075 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.079 -14.417 4.695 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.502 -13.718 4.451 1.00 0.00 C ATOM 830 CD1 ILE A 50 16.108 -15.797 4.013 1.00 0.00 C ATOM 0 H ILE A 50 14.996 -11.657 3.276 1.00 0.00 H new ATOM 0 HA ILE A 50 16.944 -11.858 5.551 1.00 0.00 H new ATOM 0 HB ILE A 50 16.891 -13.387 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.332 -14.543 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.061 -14.031 4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.705 -14.749 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.189 -13.053 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.639 -13.609 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.408 -16.465 4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.823 -15.692 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.114 -16.212 4.075 1.00 0.00 H new ATOM 842 N ILE A 51 18.248 -9.897 4.541 1.00 0.00 N ATOM 843 CA ILE A 51 19.227 -8.902 4.005 1.00 0.00 C ATOM 844 C ILE A 51 20.648 -9.548 4.081 1.00 0.00 C ATOM 845 O ILE A 51 21.203 -9.682 5.177 1.00 0.00 O ATOM 846 CB ILE A 51 19.169 -7.534 4.788 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.765 -6.879 4.957 1.00 0.00 C ATOM 848 CG2 ILE A 51 20.167 -6.477 4.241 1.00 0.00 C ATOM 849 CD1 ILE A 51 17.032 -6.454 3.676 1.00 0.00 C ATOM 0 H ILE A 51 18.102 -9.826 5.548 1.00 0.00 H new ATOM 0 HA ILE A 51 18.978 -8.660 2.972 1.00 0.00 H new ATOM 0 HB ILE A 51 19.468 -7.849 5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.127 -7.580 5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.876 -5.999 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.079 -5.559 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 51 21.184 -6.861 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.940 -6.269 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.070 -6.014 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.633 -5.720 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.872 -7.326 3.042 1.00 0.00 H new ATOM 861 N ARG A 52 21.247 -9.920 2.937 1.00 0.00 N ATOM 862 CA ARG A 52 22.653 -10.413 2.896 1.00 0.00 C ATOM 863 C ARG A 52 23.573 -9.308 2.299 1.00 0.00 C ATOM 864 O ARG A 52 23.638 -9.157 1.077 1.00 0.00 O ATOM 865 CB ARG A 52 22.769 -11.734 2.087 1.00 0.00 C ATOM 866 CG ARG A 52 21.869 -12.911 2.523 1.00 0.00 C ATOM 867 CD ARG A 52 22.351 -14.255 1.944 1.00 0.00 C ATOM 868 NE ARG A 52 21.570 -15.400 2.482 1.00 0.00 N ATOM 869 CZ ARG A 52 20.396 -15.823 2.014 1.00 0.00 C ATOM 870 NH1 ARG A 52 19.718 -15.228 1.055 1.00 0.00 N ATOM 871 NH2 ARG A 52 19.880 -16.894 2.551 1.00 0.00 N ATOM 0 H ARG A 52 20.789 -9.892 2.026 1.00 0.00 H new ATOM 0 HA ARG A 52 22.975 -10.634 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.550 -11.511 1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.806 -12.067 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.853 -12.971 3.611 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.845 -12.723 2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.265 -14.235 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.407 -14.394 2.177 1.00 0.00 H new ATOM 0 HE ARG A 52 21.966 -15.904 3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.087 -14.383 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.824 -15.612 0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.374 -17.376 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.983 -17.249 2.220 1.00 0.00 H new ATOM 885 N THR A 53 24.295 -8.553 3.146 1.00 0.00 N ATOM 886 CA THR A 53 25.264 -7.510 2.686 1.00 0.00 C ATOM 887 C THR A 53 26.665 -8.180 2.513 1.00 0.00 C ATOM 888 O THR A 53 27.360 -8.489 3.487 1.00 0.00 O ATOM 889 CB THR A 53 25.261 -6.291 3.659 1.00 0.00 C ATOM 890 OG1 THR A 53 23.950 -5.753 3.800 1.00 0.00 O ATOM 891 CG2 THR A 53 26.151 -5.119 3.215 1.00 0.00 C ATOM 0 H THR A 53 24.234 -8.637 4.161 1.00 0.00 H new ATOM 0 HA THR A 53 24.972 -7.104 1.718 1.00 0.00 H new ATOM 0 HB THR A 53 25.650 -6.702 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.905 -5.211 4.615 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.088 -4.316 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.184 -5.457 3.134 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.812 -4.752 2.246 1.00 0.00 H new ATOM 899 N LEU A 54 27.041 -8.454 1.257 1.00 0.00 N ATOM 900 CA LEU A 54 28.097 -9.444 0.917 1.00 0.00 C ATOM 901 C LEU A 54 29.446 -8.736 0.588 1.00 0.00 C ATOM 902 O LEU A 54 29.510 -7.870 -0.292 1.00 0.00 O ATOM 903 CB LEU A 54 27.602 -10.280 -0.300 1.00 0.00 C ATOM 904 CG LEU A 54 26.329 -11.153 -0.091 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.618 -11.400 -1.432 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.653 -12.490 0.595 1.00 0.00 C ATOM 0 H LEU A 54 26.628 -8.001 0.441 1.00 0.00 H new ATOM 0 HA LEU A 54 28.279 -10.096 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.410 -9.595 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.414 -10.936 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 54 25.662 -10.599 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.731 -12.012 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.324 -10.446 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.294 -11.918 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.736 -13.066 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.355 -13.054 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.098 -12.299 1.571 1.00 0.00 H new ATOM 918 N SER A 55 30.523 -9.121 1.291 1.00 0.00 N ATOM 919 CA SER A 55 31.881 -8.549 1.084 1.00 0.00 C ATOM 920 C SER A 55 32.988 -9.613 1.363 1.00 0.00 C ATOM 921 O SER A 55 32.809 -10.556 2.142 1.00 0.00 O ATOM 922 CB SER A 55 32.056 -7.310 2.000 1.00 0.00 C ATOM 923 OG SER A 55 33.249 -6.595 1.673 1.00 0.00 O ATOM 0 H SER A 55 30.487 -9.835 2.019 1.00 0.00 H new ATOM 0 HA SER A 55 31.985 -8.243 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 55 31.193 -6.652 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 55 32.092 -7.626 3.042 1.00 0.00 H new ATOM 0 HG SER A 55 33.995 -6.944 2.204 1.00 0.00 H new ATOM 929 N THR A 56 34.178 -9.410 0.771 1.00 0.00 N ATOM 930 CA THR A 56 35.398 -10.225 1.078 1.00 0.00 C ATOM 931 C THR A 56 35.873 -10.186 2.578 1.00 0.00 C ATOM 932 O THR A 56 36.292 -11.221 3.101 1.00 0.00 O ATOM 933 CB THR A 56 36.536 -9.833 0.079 1.00 0.00 C ATOM 934 OG1 THR A 56 36.086 -9.884 -1.271 1.00 0.00 O ATOM 935 CG2 THR A 56 37.773 -10.746 0.117 1.00 0.00 C ATOM 0 H THR A 56 34.335 -8.686 0.070 1.00 0.00 H new ATOM 0 HA THR A 56 35.123 -11.270 0.938 1.00 0.00 H new ATOM 0 HB THR A 56 36.809 -8.829 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 56 36.820 -9.632 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 56 38.506 -10.395 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 56 38.211 -10.724 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.479 -11.767 -0.128 1.00 0.00 H new ATOM 943 N PHE A 57 35.803 -9.026 3.265 1.00 0.00 N ATOM 944 CA PHE A 57 36.123 -8.922 4.719 1.00 0.00 C ATOM 945 C PHE A 57 35.025 -9.511 5.678 1.00 0.00 C ATOM 946 O PHE A 57 35.359 -10.327 6.540 1.00 0.00 O ATOM 947 CB PHE A 57 36.496 -7.438 5.011 1.00 0.00 C ATOM 948 CG PHE A 57 37.200 -7.214 6.359 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.585 -7.380 6.464 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.462 -6.869 7.497 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.223 -7.204 7.690 1.00 0.00 C ATOM 952 CE2 PHE A 57 37.101 -6.702 8.722 1.00 0.00 C ATOM 953 CZ PHE A 57 38.481 -6.863 8.818 1.00 0.00 C ATOM 0 H PHE A 57 35.527 -8.140 2.841 1.00 0.00 H new ATOM 0 HA PHE A 57 36.974 -9.565 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.143 -7.075 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.588 -6.836 4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 57 39.162 -7.646 5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.393 -6.732 7.424 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.293 -7.332 7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.526 -6.447 9.600 1.00 0.00 H new ATOM 0 HZ PHE A 57 38.976 -6.723 9.768 1.00 0.00 H new ATOM 963 N ARG A 58 33.746 -9.095 5.560 1.00 0.00 N ATOM 964 CA ARG A 58 32.624 -9.688 6.340 1.00 0.00 C ATOM 965 C ARG A 58 31.335 -9.765 5.461 1.00 0.00 C ATOM 966 O ARG A 58 30.885 -8.760 4.902 1.00 0.00 O ATOM 967 CB ARG A 58 32.377 -8.867 7.640 1.00 0.00 C ATOM 968 CG ARG A 58 31.376 -9.525 8.627 1.00 0.00 C ATOM 969 CD ARG A 58 31.008 -8.628 9.820 1.00 0.00 C ATOM 970 NE ARG A 58 30.066 -9.358 10.707 1.00 0.00 N ATOM 971 CZ ARG A 58 29.405 -8.822 11.730 1.00 0.00 C ATOM 972 NH1 ARG A 58 29.449 -7.550 12.060 1.00 0.00 N ATOM 973 NH2 ARG A 58 28.660 -9.613 12.450 1.00 0.00 N ATOM 0 H ARG A 58 33.458 -8.347 4.930 1.00 0.00 H new ATOM 0 HA ARG A 58 32.891 -10.704 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 58 33.329 -8.720 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.005 -7.879 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 58 30.466 -9.788 8.087 1.00 0.00 H new ATOM 0 HG3 ARG A 58 31.805 -10.455 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 58 31.906 -8.351 10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 58 30.552 -7.703 9.468 1.00 0.00 H new ATOM 0 HE ARG A 58 29.914 -10.348 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 58 30.019 -6.902 11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 58 28.914 -7.212 12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 58 28.599 -10.605 12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 58 28.138 -9.240 13.243 1.00 0.00 H new ATOM 987 N ASN A 59 30.693 -10.945 5.427 1.00 0.00 N ATOM 988 CA ASN A 59 29.317 -11.098 4.876 1.00 0.00 C ATOM 989 C ASN A 59 28.276 -10.971 6.036 1.00 0.00 C ATOM 990 O ASN A 59 28.272 -11.773 6.977 1.00 0.00 O ATOM 991 CB ASN A 59 29.174 -12.463 4.155 1.00 0.00 C ATOM 992 CG ASN A 59 30.060 -12.656 2.916 1.00 0.00 C ATOM 993 OD1 ASN A 59 29.885 -12.010 1.891 1.00 0.00 O ATOM 994 ND2 ASN A 59 31.031 -13.535 2.964 1.00 0.00 N ATOM 0 H ASN A 59 31.098 -11.815 5.773 1.00 0.00 H new ATOM 0 HA ASN A 59 29.130 -10.311 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.400 -13.256 4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.133 -12.589 3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 59 31.632 -13.676 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 59 31.185 -14.078 3.813 1.00 0.00 H new ATOM 1001 N TYR A 60 27.410 -9.951 5.972 1.00 0.00 N ATOM 1002 CA TYR A 60 26.472 -9.604 7.077 1.00 0.00 C ATOM 1003 C TYR A 60 25.009 -10.046 6.734 1.00 0.00 C ATOM 1004 O TYR A 60 24.331 -9.418 5.914 1.00 0.00 O ATOM 1005 CB TYR A 60 26.658 -8.083 7.358 1.00 0.00 C ATOM 1006 CG TYR A 60 25.859 -7.525 8.548 1.00 0.00 C ATOM 1007 CD1 TYR A 60 26.240 -7.849 9.853 1.00 0.00 C ATOM 1008 CD2 TYR A 60 24.734 -6.718 8.343 1.00 0.00 C ATOM 1009 CE1 TYR A 60 25.481 -7.414 10.934 1.00 0.00 C ATOM 1010 CE2 TYR A 60 23.982 -6.275 9.430 1.00 0.00 C ATOM 1011 CZ TYR A 60 24.333 -6.654 10.724 1.00 0.00 C ATOM 1012 OH TYR A 60 23.498 -6.367 11.776 1.00 0.00 O ATOM 0 H TYR A 60 27.331 -9.338 5.161 1.00 0.00 H new ATOM 0 HA TYR A 60 26.690 -10.148 7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.717 -7.891 7.532 1.00 0.00 H new ATOM 0 HB3 TYR A 60 26.376 -7.529 6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 60 27.128 -8.440 10.023 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.448 -6.438 7.340 1.00 0.00 H new ATOM 0 HE1 TYR A 60 25.783 -7.666 11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 60 23.126 -5.637 9.269 1.00 0.00 H new ATOM 0 HH TYR A 60 23.783 -6.871 12.567 1.00 0.00 H new ATOM 1022 N ILE A 61 24.536 -11.134 7.372 1.00 0.00 N ATOM 1023 CA ILE A 61 23.174 -11.701 7.136 1.00 0.00 C ATOM 1024 C ILE A 61 22.211 -11.207 8.277 1.00 0.00 C ATOM 1025 O ILE A 61 22.418 -11.515 9.458 1.00 0.00 O ATOM 1026 CB ILE A 61 23.233 -13.273 6.996 1.00 0.00 C ATOM 1027 CG1 ILE A 61 23.987 -13.825 5.742 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.814 -13.913 6.938 1.00 0.00 C ATOM 1029 CD1 ILE A 61 25.516 -13.702 5.694 1.00 0.00 C ATOM 0 H ILE A 61 25.077 -11.650 8.065 1.00 0.00 H new ATOM 0 HA ILE A 61 22.773 -11.341 6.189 1.00 0.00 H new ATOM 0 HB ILE A 61 23.789 -13.549 7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.736 -14.881 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.586 -13.318 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.906 -14.995 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.270 -13.675 7.852 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.271 -13.517 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.886 -14.130 4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.798 -12.651 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.951 -14.238 6.538 1.00 0.00 H new ATOM 1041 N MET A 62 21.117 -10.514 7.911 1.00 0.00 N ATOM 1042 CA MET A 62 19.983 -10.222 8.838 1.00 0.00 C ATOM 1043 C MET A 62 18.695 -10.946 8.326 1.00 0.00 C ATOM 1044 O MET A 62 18.045 -10.487 7.382 1.00 0.00 O ATOM 1045 CB MET A 62 19.754 -8.692 8.959 1.00 0.00 C ATOM 1046 CG MET A 62 20.798 -7.904 9.767 1.00 0.00 C ATOM 1047 SD MET A 62 20.492 -6.123 9.656 1.00 0.00 S ATOM 1048 CE MET A 62 18.953 -5.922 10.577 1.00 0.00 C ATOM 0 H MET A 62 20.984 -10.138 6.972 1.00 0.00 H new ATOM 0 HA MET A 62 20.225 -10.596 9.833 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.713 -8.273 7.954 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.777 -8.528 9.413 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.768 -8.218 10.810 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.797 -8.129 9.395 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.766 -4.862 10.747 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.129 -6.349 10.006 1.00 0.00 H new ATOM 0 HE3 MET A 62 19.033 -6.434 11.536 1.00 0.00 H new ATOM 1058 N ASP A 63 18.317 -12.066 8.967 1.00 0.00 N ATOM 1059 CA ASP A 63 17.096 -12.845 8.636 1.00 0.00 C ATOM 1060 C ASP A 63 15.929 -12.551 9.638 1.00 0.00 C ATOM 1061 O ASP A 63 16.039 -12.873 10.825 1.00 0.00 O ATOM 1062 CB ASP A 63 17.522 -14.338 8.548 1.00 0.00 C ATOM 1063 CG ASP A 63 18.024 -15.062 9.805 1.00 0.00 C ATOM 1064 OD1 ASP A 63 17.380 -15.920 10.399 1.00 0.00 O ATOM 1065 OD2 ASP A 63 19.275 -14.664 10.174 1.00 0.00 O ATOM 0 H ASP A 63 18.852 -12.465 9.738 1.00 0.00 H new ATOM 0 HA ASP A 63 16.678 -12.549 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.667 -14.898 8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.308 -14.408 7.796 1.00 0.00 H new ATOM 1071 N PHE A 64 14.831 -11.912 9.184 1.00 0.00 N ATOM 1072 CA PHE A 64 13.805 -11.341 10.114 1.00 0.00 C ATOM 1073 C PHE A 64 12.364 -11.225 9.519 1.00 0.00 C ATOM 1074 O PHE A 64 12.171 -11.029 8.318 1.00 0.00 O ATOM 1075 CB PHE A 64 14.284 -9.961 10.667 1.00 0.00 C ATOM 1076 CG PHE A 64 14.555 -8.832 9.650 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.518 -8.032 9.159 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.857 -8.620 9.195 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.783 -7.054 8.204 1.00 0.00 C ATOM 1080 CE2 PHE A 64 16.122 -7.633 8.250 1.00 0.00 C ATOM 1081 CZ PHE A 64 15.084 -6.850 7.753 1.00 0.00 C ATOM 0 H PHE A 64 14.623 -11.774 8.195 1.00 0.00 H new ATOM 0 HA PHE A 64 13.717 -12.064 10.925 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.533 -9.604 11.371 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.200 -10.127 11.234 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.510 -8.173 9.521 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.665 -9.226 9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.977 -6.452 7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 64 17.132 -7.475 7.903 1.00 0.00 H new ATOM 0 HZ PHE A 64 15.288 -6.085 7.018 1.00 0.00 H new ATOM 1091 N GLN A 65 11.349 -11.242 10.398 1.00 0.00 N ATOM 1092 CA GLN A 65 9.949 -10.879 10.041 1.00 0.00 C ATOM 1093 C GLN A 65 9.710 -9.346 10.234 1.00 0.00 C ATOM 1094 O GLN A 65 9.829 -8.820 11.347 1.00 0.00 O ATOM 1095 CB GLN A 65 8.972 -11.704 10.927 1.00 0.00 C ATOM 1096 CG GLN A 65 8.806 -13.211 10.589 1.00 0.00 C ATOM 1097 CD GLN A 65 9.971 -14.125 11.000 1.00 0.00 C ATOM 1098 OE1 GLN A 65 10.540 -14.022 12.083 1.00 0.00 O ATOM 1099 NE2 GLN A 65 10.366 -15.055 10.166 1.00 0.00 N ATOM 0 H GLN A 65 11.465 -11.506 11.376 1.00 0.00 H new ATOM 0 HA GLN A 65 9.770 -11.111 8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.306 -11.625 11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.989 -11.236 10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.898 -13.573 11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.656 -13.308 9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.906 -15.157 9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.133 -15.677 10.422 1.00 0.00 H new ATOM 1108 N VAL A 66 9.310 -8.637 9.161 1.00 0.00 N ATOM 1109 CA VAL A 66 8.880 -7.205 9.223 1.00 0.00 C ATOM 1110 C VAL A 66 7.540 -7.094 10.037 1.00 0.00 C ATOM 1111 O VAL A 66 6.518 -7.680 9.666 1.00 0.00 O ATOM 1112 CB VAL A 66 8.753 -6.597 7.780 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.445 -5.084 7.812 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.998 -6.756 6.875 1.00 0.00 C ATOM 0 H VAL A 66 9.272 -9.031 8.221 1.00 0.00 H new ATOM 0 HA VAL A 66 9.638 -6.619 9.742 1.00 0.00 H new ATOM 0 HB VAL A 66 7.935 -7.181 7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.366 -4.707 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.504 -4.915 8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.248 -4.560 8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.802 -6.302 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.852 -6.263 7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.219 -7.815 6.742 1.00 0.00 H new ATOM 1124 N GLY A 67 7.587 -6.400 11.183 1.00 0.00 N ATOM 1125 CA GLY A 67 6.583 -6.571 12.271 1.00 0.00 C ATOM 1126 C GLY A 67 7.153 -6.995 13.646 1.00 0.00 C ATOM 1127 O GLY A 67 6.738 -6.442 14.665 1.00 0.00 O ATOM 0 H GLY A 67 8.308 -5.710 11.392 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.045 -5.631 12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.854 -7.317 11.954 1.00 0.00 H new ATOM 1131 N LYS A 68 8.051 -7.996 13.693 1.00 0.00 N ATOM 1132 CA LYS A 68 8.578 -8.555 14.971 1.00 0.00 C ATOM 1133 C LYS A 68 9.782 -7.741 15.553 1.00 0.00 C ATOM 1134 O LYS A 68 10.637 -7.240 14.813 1.00 0.00 O ATOM 1135 CB LYS A 68 8.989 -10.042 14.759 1.00 0.00 C ATOM 1136 CG LYS A 68 7.838 -11.024 14.415 1.00 0.00 C ATOM 1137 CD LYS A 68 8.205 -12.523 14.534 1.00 0.00 C ATOM 1138 CE LYS A 68 8.383 -13.082 15.961 1.00 0.00 C ATOM 1139 NZ LYS A 68 7.109 -13.151 16.708 1.00 0.00 N ATOM 0 H LYS A 68 8.434 -8.443 12.860 1.00 0.00 H new ATOM 0 HA LYS A 68 7.775 -8.484 15.705 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.727 -10.083 13.958 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.482 -10.395 15.665 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.994 -10.818 15.074 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.503 -10.826 13.397 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.429 -13.104 14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.131 -12.691 13.985 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.821 -14.078 15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.087 -12.455 16.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.285 -13.533 17.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.701 -12.198 16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.444 -13.771 16.203 1.00 0.00 H new ATOM 1152 N GLU A 69 9.872 -7.664 16.897 1.00 0.00 N ATOM 1153 CA GLU A 69 11.037 -7.050 17.593 1.00 0.00 C ATOM 1154 C GLU A 69 12.122 -8.131 17.927 1.00 0.00 C ATOM 1155 O GLU A 69 11.983 -8.901 18.881 1.00 0.00 O ATOM 1156 CB GLU A 69 10.509 -6.226 18.800 1.00 0.00 C ATOM 1157 CG GLU A 69 11.568 -5.272 19.414 1.00 0.00 C ATOM 1158 CD GLU A 69 11.026 -4.025 20.101 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.913 -2.945 19.523 1.00 0.00 O ATOM 1160 OE2 GLU A 69 10.699 -4.249 21.406 1.00 0.00 O ATOM 0 H GLU A 69 9.154 -8.018 17.529 1.00 0.00 H new ATOM 0 HA GLU A 69 11.566 -6.347 16.950 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.647 -5.640 18.480 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.159 -6.912 19.572 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.158 -5.834 20.138 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.249 -4.959 18.622 1.00 0.00 H new ATOM 1168 N PHE A 70 13.185 -8.202 17.106 1.00 0.00 N ATOM 1169 CA PHE A 70 14.192 -9.307 17.133 1.00 0.00 C ATOM 1170 C PHE A 70 15.573 -8.875 17.724 1.00 0.00 C ATOM 1171 O PHE A 70 16.048 -7.761 17.495 1.00 0.00 O ATOM 1172 CB PHE A 70 14.332 -9.912 15.699 1.00 0.00 C ATOM 1173 CG PHE A 70 14.900 -9.000 14.588 1.00 0.00 C ATOM 1174 CD1 PHE A 70 16.278 -8.925 14.353 1.00 0.00 C ATOM 1175 CD2 PHE A 70 14.033 -8.200 13.840 1.00 0.00 C ATOM 1176 CE1 PHE A 70 16.780 -8.044 13.398 1.00 0.00 C ATOM 1177 CE2 PHE A 70 14.536 -7.316 12.892 1.00 0.00 C ATOM 1178 CZ PHE A 70 15.908 -7.237 12.670 1.00 0.00 C ATOM 0 H PHE A 70 13.381 -7.496 16.397 1.00 0.00 H new ATOM 0 HA PHE A 70 13.826 -10.075 17.814 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.969 -10.794 15.768 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.347 -10.254 15.381 1.00 0.00 H new ATOM 0 HD1 PHE A 70 16.954 -9.553 14.914 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.967 -8.268 13.999 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.844 -7.986 13.222 1.00 0.00 H new ATOM 0 HE2 PHE A 70 13.861 -6.690 12.327 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.297 -6.550 11.933 1.00 0.00 H new ATOM 1188 N GLU A 71 16.272 -9.775 18.433 1.00 0.00 N ATOM 1189 CA GLU A 71 17.631 -9.484 18.975 1.00 0.00 C ATOM 1190 C GLU A 71 18.740 -9.340 17.879 1.00 0.00 C ATOM 1191 O GLU A 71 19.067 -10.303 17.178 1.00 0.00 O ATOM 1192 CB GLU A 71 17.992 -10.527 20.075 1.00 0.00 C ATOM 1193 CG GLU A 71 18.132 -12.012 19.638 1.00 0.00 C ATOM 1194 CD GLU A 71 18.215 -13.006 20.792 1.00 0.00 C ATOM 1195 OE1 GLU A 71 17.233 -13.435 21.388 1.00 0.00 O ATOM 1196 OE2 GLU A 71 19.493 -13.385 21.078 1.00 0.00 O ATOM 0 H GLU A 71 15.930 -10.711 18.650 1.00 0.00 H new ATOM 0 HA GLU A 71 17.594 -8.495 19.432 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.933 -10.221 20.533 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.228 -10.475 20.851 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.281 -12.274 19.010 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.026 -12.114 19.023 1.00 0.00 H new ATOM 1204 N GLU A 72 19.384 -8.158 17.783 1.00 0.00 N ATOM 1205 CA GLU A 72 20.680 -8.009 17.057 1.00 0.00 C ATOM 1206 C GLU A 72 21.841 -8.599 17.925 1.00 0.00 C ATOM 1207 O GLU A 72 22.496 -7.909 18.713 1.00 0.00 O ATOM 1208 CB GLU A 72 20.894 -6.522 16.659 1.00 0.00 C ATOM 1209 CG GLU A 72 20.058 -6.036 15.446 1.00 0.00 C ATOM 1210 CD GLU A 72 20.616 -6.459 14.086 1.00 0.00 C ATOM 1211 OE1 GLU A 72 20.344 -7.523 13.538 1.00 0.00 O ATOM 1212 OE2 GLU A 72 21.459 -5.525 13.557 1.00 0.00 O ATOM 0 H GLU A 72 19.036 -7.292 18.194 1.00 0.00 H new ATOM 0 HA GLU A 72 20.666 -8.578 16.127 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.656 -5.895 17.518 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.950 -6.371 16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.042 -6.418 15.543 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.993 -4.948 15.477 1.00 0.00 H new ATOM 1220 N ASP A 73 22.019 -9.922 17.788 1.00 0.00 N ATOM 1221 CA ASP A 73 22.960 -10.734 18.597 1.00 0.00 C ATOM 1222 C ASP A 73 23.745 -11.663 17.623 1.00 0.00 C ATOM 1223 O ASP A 73 23.138 -12.366 16.804 1.00 0.00 O ATOM 1224 CB ASP A 73 22.118 -11.538 19.625 1.00 0.00 C ATOM 1225 CG ASP A 73 22.913 -12.317 20.674 1.00 0.00 C ATOM 1226 OD1 ASP A 73 24.105 -12.134 20.914 1.00 0.00 O ATOM 1227 OD2 ASP A 73 22.128 -13.218 21.330 1.00 0.00 O ATOM 0 H ASP A 73 21.506 -10.474 17.100 1.00 0.00 H new ATOM 0 HA ASP A 73 23.682 -10.126 19.143 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.452 -10.846 20.141 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.487 -12.240 19.080 1.00 0.00 H new ATOM 1233 N LEU A 74 25.091 -11.632 17.671 1.00 0.00 N ATOM 1234 CA LEU A 74 25.974 -12.239 16.619 1.00 0.00 C ATOM 1235 C LEU A 74 25.952 -11.424 15.279 1.00 0.00 C ATOM 1236 O LEU A 74 26.976 -10.856 14.896 1.00 0.00 O ATOM 1237 CB LEU A 74 25.857 -13.788 16.414 1.00 0.00 C ATOM 1238 CG LEU A 74 26.289 -14.770 17.540 1.00 0.00 C ATOM 1239 CD1 LEU A 74 27.764 -14.610 17.947 1.00 0.00 C ATOM 1240 CD2 LEU A 74 25.378 -14.731 18.778 1.00 0.00 C ATOM 0 H LEU A 74 25.609 -11.191 18.431 1.00 0.00 H new ATOM 0 HA LEU A 74 26.975 -12.143 17.040 1.00 0.00 H new ATOM 0 HB2 LEU A 74 24.814 -14.004 16.182 1.00 0.00 H new ATOM 0 HB3 LEU A 74 26.439 -14.040 15.527 1.00 0.00 H new ATOM 0 HG LEU A 74 26.174 -15.757 17.092 1.00 0.00 H new ATOM 0 HD11 LEU A 74 28.003 -15.323 18.736 1.00 0.00 H new ATOM 0 HD12 LEU A 74 28.402 -14.797 17.083 1.00 0.00 H new ATOM 0 HD13 LEU A 74 27.933 -13.596 18.310 1.00 0.00 H new ATOM 0 HD21 LEU A 74 25.742 -15.442 19.520 1.00 0.00 H new ATOM 0 HD22 LEU A 74 25.385 -13.727 19.203 1.00 0.00 H new ATOM 0 HD23 LEU A 74 24.361 -14.996 18.490 1.00 0.00 H new ATOM 1252 N THR A 75 24.787 -11.298 14.608 1.00 0.00 N ATOM 1253 CA THR A 75 24.580 -10.316 13.495 1.00 0.00 C ATOM 1254 C THR A 75 24.352 -8.829 13.970 1.00 0.00 C ATOM 1255 O THR A 75 23.386 -8.153 13.601 1.00 0.00 O ATOM 1256 CB THR A 75 23.507 -10.903 12.522 1.00 0.00 C ATOM 1257 OG1 THR A 75 23.520 -10.168 11.302 1.00 0.00 O ATOM 1258 CG2 THR A 75 22.048 -10.938 13.021 1.00 0.00 C ATOM 0 H THR A 75 23.963 -11.864 14.812 1.00 0.00 H new ATOM 0 HA THR A 75 25.506 -10.198 12.932 1.00 0.00 H new ATOM 0 HB THR A 75 23.807 -11.945 12.415 1.00 0.00 H new ATOM 0 HG1 THR A 75 23.447 -10.787 10.546 1.00 0.00 H new ATOM 0 HG21 THR A 75 21.410 -11.368 12.249 1.00 0.00 H new ATOM 0 HG22 THR A 75 21.987 -11.546 13.923 1.00 0.00 H new ATOM 0 HG23 THR A 75 21.715 -9.924 13.244 1.00 0.00 H new ATOM 1266 N GLY A 76 25.324 -8.279 14.716 1.00 0.00 N ATOM 1267 CA GLY A 76 25.352 -6.848 15.123 1.00 0.00 C ATOM 1268 C GLY A 76 26.718 -6.159 14.900 1.00 0.00 C ATOM 1269 O GLY A 76 27.706 -6.774 14.490 1.00 0.00 O ATOM 0 H GLY A 76 26.123 -8.812 15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 76 24.588 -6.307 14.565 1.00 0.00 H new ATOM 0 HA3 GLY A 76 25.088 -6.775 16.178 1.00 0.00 H new ATOM 1273 N ILE A 77 26.755 -4.849 15.179 1.00 0.00 N ATOM 1274 CA ILE A 77 27.981 -4.009 14.977 1.00 0.00 C ATOM 1275 C ILE A 77 28.720 -3.767 16.339 1.00 0.00 C ATOM 1276 O ILE A 77 29.845 -4.242 16.516 1.00 0.00 O ATOM 1277 CB ILE A 77 27.641 -2.711 14.149 1.00 0.00 C ATOM 1278 CG1 ILE A 77 26.968 -2.947 12.759 1.00 0.00 C ATOM 1279 CG2 ILE A 77 28.865 -1.773 13.980 1.00 0.00 C ATOM 1280 CD1 ILE A 77 27.717 -3.849 11.758 1.00 0.00 C ATOM 0 H ILE A 77 25.957 -4.332 15.547 1.00 0.00 H new ATOM 0 HA ILE A 77 28.704 -4.546 14.362 1.00 0.00 H new ATOM 0 HB ILE A 77 26.888 -2.226 14.770 1.00 0.00 H new ATOM 0 HG12 ILE A 77 25.982 -3.378 12.930 1.00 0.00 H new ATOM 0 HG13 ILE A 77 26.814 -1.976 12.289 1.00 0.00 H new ATOM 0 HG21 ILE A 77 28.574 -0.896 13.402 1.00 0.00 H new ATOM 0 HG22 ILE A 77 29.221 -1.460 14.961 1.00 0.00 H new ATOM 0 HG23 ILE A 77 29.661 -2.304 13.457 1.00 0.00 H new ATOM 0 HD11 ILE A 77 27.140 -3.928 10.837 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.693 -3.417 11.539 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.848 -4.841 12.190 1.00 0.00 H new ATOM 1292 N ASP A 78 28.119 -3.004 17.270 1.00 0.00 N ATOM 1293 CA ASP A 78 28.719 -2.700 18.598 1.00 0.00 C ATOM 1294 C ASP A 78 28.190 -3.656 19.724 1.00 0.00 C ATOM 1295 O ASP A 78 27.141 -4.299 19.606 1.00 0.00 O ATOM 1296 CB ASP A 78 28.429 -1.191 18.827 1.00 0.00 C ATOM 1297 CG ASP A 78 29.098 -0.510 20.022 1.00 0.00 C ATOM 1298 OD1 ASP A 78 30.017 -0.996 20.678 1.00 0.00 O ATOM 1299 OD2 ASP A 78 28.593 0.735 20.238 1.00 0.00 O ATOM 0 H ASP A 78 27.203 -2.577 17.130 1.00 0.00 H new ATOM 0 HA ASP A 78 29.793 -2.883 18.629 1.00 0.00 H new ATOM 0 HB2 ASP A 78 28.724 -0.653 17.926 1.00 0.00 H new ATOM 0 HB3 ASP A 78 27.351 -1.069 18.932 1.00 0.00 H new ATOM 1305 N ASP A 79 28.942 -3.733 20.835 1.00 0.00 N ATOM 1306 CA ASP A 79 28.582 -4.561 22.022 1.00 0.00 C ATOM 1307 C ASP A 79 27.264 -4.113 22.748 1.00 0.00 C ATOM 1308 O ASP A 79 26.887 -2.939 22.711 1.00 0.00 O ATOM 1309 CB ASP A 79 29.790 -4.538 23.003 1.00 0.00 C ATOM 1310 CG ASP A 79 31.031 -5.298 22.533 1.00 0.00 C ATOM 1311 OD1 ASP A 79 31.178 -6.508 22.664 1.00 0.00 O ATOM 1312 OD2 ASP A 79 31.954 -4.480 21.954 1.00 0.00 O ATOM 0 H ASP A 79 29.820 -3.226 20.946 1.00 0.00 H new ATOM 0 HA ASP A 79 28.372 -5.571 21.671 1.00 0.00 H new ATOM 0 HB2 ASP A 79 30.068 -3.500 23.186 1.00 0.00 H new ATOM 0 HB3 ASP A 79 29.469 -4.955 23.958 1.00 0.00 H new ATOM 1318 N ARG A 80 26.584 -5.080 23.403 1.00 0.00 N ATOM 1319 CA ARG A 80 25.204 -4.926 23.964 1.00 0.00 C ATOM 1320 C ARG A 80 24.106 -5.140 22.866 1.00 0.00 C ATOM 1321 O ARG A 80 24.048 -4.434 21.856 1.00 0.00 O ATOM 1322 CB ARG A 80 25.003 -3.684 24.895 1.00 0.00 C ATOM 1323 CG ARG A 80 23.664 -3.611 25.674 1.00 0.00 C ATOM 1324 CD ARG A 80 22.511 -2.946 24.881 1.00 0.00 C ATOM 1325 NE ARG A 80 21.236 -3.697 25.020 1.00 0.00 N ATOM 1326 CZ ARG A 80 20.295 -3.475 25.933 1.00 0.00 C ATOM 1327 NH1 ARG A 80 20.357 -2.536 26.852 1.00 0.00 N ATOM 1328 NH2 ARG A 80 19.239 -4.239 25.906 1.00 0.00 N ATOM 0 H ARG A 80 26.976 -6.008 23.564 1.00 0.00 H new ATOM 0 HA ARG A 80 25.068 -5.743 24.672 1.00 0.00 H new ATOM 0 HB2 ARG A 80 25.819 -3.664 25.617 1.00 0.00 H new ATOM 0 HB3 ARG A 80 25.093 -2.784 24.287 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.363 -4.620 25.955 1.00 0.00 H new ATOM 0 HG3 ARG A 80 23.823 -3.056 26.599 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.370 -1.924 25.233 1.00 0.00 H new ATOM 0 HD3 ARG A 80 22.783 -2.885 23.827 1.00 0.00 H new ATOM 0 HE ARG A 80 21.067 -4.451 24.354 1.00 0.00 H new ATOM 0 HH11 ARG A 80 21.168 -1.918 26.896 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.595 -2.426 27.520 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.159 -4.973 25.202 1.00 0.00 H new ATOM 0 HH22 ARG A 80 18.493 -4.103 26.588 1.00 0.00 H new ATOM 1342 N LYS A 81 23.221 -6.128 23.090 1.00 0.00 N ATOM 1343 CA LYS A 81 22.260 -6.617 22.066 1.00 0.00 C ATOM 1344 C LYS A 81 21.021 -5.684 21.909 1.00 0.00 C ATOM 1345 O LYS A 81 20.349 -5.362 22.896 1.00 0.00 O ATOM 1346 CB LYS A 81 21.793 -8.044 22.470 1.00 0.00 C ATOM 1347 CG LYS A 81 22.817 -9.195 22.331 1.00 0.00 C ATOM 1348 CD LYS A 81 23.993 -9.276 23.324 1.00 0.00 C ATOM 1349 CE LYS A 81 23.596 -9.435 24.801 1.00 0.00 C ATOM 1350 NZ LYS A 81 24.814 -9.454 25.634 1.00 0.00 N ATOM 0 H LYS A 81 23.146 -6.614 23.983 1.00 0.00 H new ATOM 0 HA LYS A 81 22.770 -6.628 21.103 1.00 0.00 H new ATOM 0 HB2 LYS A 81 21.465 -8.009 23.509 1.00 0.00 H new ATOM 0 HB3 LYS A 81 20.920 -8.296 21.868 1.00 0.00 H new ATOM 0 HG2 LYS A 81 22.267 -10.134 22.396 1.00 0.00 H new ATOM 0 HG3 LYS A 81 23.238 -9.141 21.327 1.00 0.00 H new ATOM 0 HD2 LYS A 81 24.627 -10.117 23.043 1.00 0.00 H new ATOM 0 HD3 LYS A 81 24.596 -8.374 23.222 1.00 0.00 H new ATOM 0 HE2 LYS A 81 22.946 -8.614 25.105 1.00 0.00 H new ATOM 0 HE3 LYS A 81 23.032 -10.357 24.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 24.549 -9.561 26.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 25.418 -10.251 25.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 25.335 -8.563 25.508 1.00 0.00 H new ATOM 1363 N CYS A 82 20.709 -5.274 20.668 1.00 0.00 N ATOM 1364 CA CYS A 82 19.587 -4.335 20.403 1.00 0.00 C ATOM 1365 C CYS A 82 18.315 -5.071 19.882 1.00 0.00 C ATOM 1366 O CYS A 82 18.306 -5.669 18.798 1.00 0.00 O ATOM 1367 CB CYS A 82 20.075 -3.240 19.444 1.00 0.00 C ATOM 1368 SG CYS A 82 21.363 -2.214 20.240 1.00 0.00 S ATOM 0 H CYS A 82 21.210 -5.572 19.831 1.00 0.00 H new ATOM 0 HA CYS A 82 19.279 -3.867 21.338 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.474 -3.695 18.537 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.236 -2.612 19.144 1.00 0.00 H new ATOM 0 HG CYS A 82 21.317 -1.008 19.757 1.00 0.00 H new ATOM 1374 N MET A 83 17.221 -4.997 20.657 1.00 0.00 N ATOM 1375 CA MET A 83 15.929 -5.643 20.304 1.00 0.00 C ATOM 1376 C MET A 83 15.175 -4.776 19.244 1.00 0.00 C ATOM 1377 O MET A 83 14.717 -3.663 19.511 1.00 0.00 O ATOM 1378 CB MET A 83 15.108 -5.890 21.601 1.00 0.00 C ATOM 1379 CG MET A 83 14.284 -7.190 21.567 1.00 0.00 C ATOM 1380 SD MET A 83 15.392 -8.589 21.825 1.00 0.00 S ATOM 1381 CE MET A 83 14.240 -9.951 21.600 1.00 0.00 C ATOM 0 H MET A 83 17.198 -4.492 21.543 1.00 0.00 H new ATOM 0 HA MET A 83 16.095 -6.616 19.843 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.789 -5.923 22.452 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.436 -5.047 21.762 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.516 -7.170 22.340 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.771 -7.287 20.610 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.766 -10.897 21.727 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.442 -9.878 22.338 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.813 -9.905 20.598 1.00 0.00 H new ATOM 1391 N THR A 84 15.144 -5.264 18.003 1.00 0.00 N ATOM 1392 CA THR A 84 15.024 -4.407 16.798 1.00 0.00 C ATOM 1393 C THR A 84 13.649 -4.619 16.107 1.00 0.00 C ATOM 1394 O THR A 84 13.378 -5.696 15.571 1.00 0.00 O ATOM 1395 CB THR A 84 16.236 -4.731 15.872 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.462 -4.410 16.531 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.225 -3.949 14.549 1.00 0.00 C ATOM 0 H THR A 84 15.201 -6.261 17.793 1.00 0.00 H new ATOM 0 HA THR A 84 15.055 -3.349 17.058 1.00 0.00 H new ATOM 0 HB THR A 84 16.152 -5.795 15.652 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.575 -4.990 17.313 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.097 -4.225 13.956 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.318 -4.187 13.993 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.252 -2.880 14.758 1.00 0.00 H new ATOM 1405 N THR A 85 12.811 -3.571 16.067 1.00 0.00 N ATOM 1406 CA THR A 85 11.582 -3.571 15.220 1.00 0.00 C ATOM 1407 C THR A 85 11.919 -3.000 13.807 1.00 0.00 C ATOM 1408 O THR A 85 12.369 -1.857 13.679 1.00 0.00 O ATOM 1409 CB THR A 85 10.440 -2.780 15.925 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.035 -3.455 17.111 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.143 -2.653 15.106 1.00 0.00 C ATOM 0 H THR A 85 12.950 -2.714 16.602 1.00 0.00 H new ATOM 0 HA THR A 85 11.224 -4.592 15.086 1.00 0.00 H new ATOM 0 HB THR A 85 10.872 -1.793 16.091 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.316 -2.937 17.894 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.406 -2.088 15.677 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.353 -2.135 14.170 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.750 -3.647 14.890 1.00 0.00 H new ATOM 1419 N VAL A 86 11.638 -3.790 12.757 1.00 0.00 N ATOM 1420 CA VAL A 86 11.624 -3.304 11.344 1.00 0.00 C ATOM 1421 C VAL A 86 10.128 -3.275 10.880 1.00 0.00 C ATOM 1422 O VAL A 86 9.385 -4.237 11.095 1.00 0.00 O ATOM 1423 CB VAL A 86 12.550 -4.177 10.429 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.576 -3.659 8.976 1.00 0.00 C ATOM 1425 CG2 VAL A 86 14.027 -4.233 10.878 1.00 0.00 C ATOM 0 H VAL A 86 11.414 -4.781 12.850 1.00 0.00 H new ATOM 0 HA VAL A 86 12.037 -2.298 11.268 1.00 0.00 H new ATOM 0 HB VAL A 86 12.107 -5.170 10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.229 -4.292 8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.568 -3.683 8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.949 -2.635 8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.594 -4.858 10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.445 -3.226 10.882 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.086 -4.654 11.882 1.00 0.00 H new ATOM 1435 N SER A 87 9.664 -2.170 10.268 1.00 0.00 N ATOM 1436 CA SER A 87 8.235 -1.989 9.877 1.00 0.00 C ATOM 1437 C SER A 87 8.073 -1.227 8.523 1.00 0.00 C ATOM 1438 O SER A 87 8.901 -0.394 8.137 1.00 0.00 O ATOM 1439 CB SER A 87 7.488 -1.285 11.036 1.00 0.00 C ATOM 1440 OG SER A 87 7.370 -2.163 12.156 1.00 0.00 O ATOM 0 H SER A 87 10.257 -1.376 10.027 1.00 0.00 H new ATOM 0 HA SER A 87 7.792 -2.970 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.024 -0.382 11.328 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.498 -0.974 10.703 1.00 0.00 H new ATOM 0 HG SER A 87 6.897 -1.705 12.882 1.00 0.00 H new ATOM 1446 N TRP A 88 6.981 -1.513 7.790 1.00 0.00 N ATOM 1447 CA TRP A 88 6.724 -0.893 6.460 1.00 0.00 C ATOM 1448 C TRP A 88 5.991 0.484 6.538 1.00 0.00 C ATOM 1449 O TRP A 88 4.832 0.576 6.954 1.00 0.00 O ATOM 1450 CB TRP A 88 5.908 -1.866 5.559 1.00 0.00 C ATOM 1451 CG TRP A 88 6.723 -2.940 4.835 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.515 -4.332 4.920 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.666 -2.761 3.837 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.340 -5.040 4.024 1.00 0.00 N ATOM 1455 CE2 TRP A 88 8.027 -4.043 3.350 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.169 -1.584 3.210 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.879 -4.157 2.232 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 9.007 -1.731 2.105 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.355 -2.997 1.622 1.00 0.00 C ATOM 0 H TRP A 88 6.258 -2.168 8.089 1.00 0.00 H new ATOM 0 HA TRP A 88 7.705 -0.702 6.025 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.157 -2.360 6.176 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.372 -1.279 4.814 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.809 -4.799 5.591 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.414 -6.050 3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.908 -0.604 3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 9.159 -5.129 1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.395 -0.851 1.613 1.00 0.00 H new ATOM 0 HH2 TRP A 88 10.003 -3.077 0.762 1.00 0.00 H new ATOM 1470 N ASP A 89 6.643 1.529 6.012 1.00 0.00 N ATOM 1471 CA ASP A 89 5.977 2.784 5.567 1.00 0.00 C ATOM 1472 C ASP A 89 5.907 2.841 3.990 1.00 0.00 C ATOM 1473 O ASP A 89 6.489 3.728 3.357 1.00 0.00 O ATOM 1474 CB ASP A 89 6.790 3.915 6.264 1.00 0.00 C ATOM 1475 CG ASP A 89 6.326 5.348 6.012 1.00 0.00 C ATOM 1476 OD1 ASP A 89 7.054 6.225 5.557 1.00 0.00 O ATOM 1477 OD2 ASP A 89 5.025 5.548 6.358 1.00 0.00 O ATOM 0 H ASP A 89 7.654 1.539 5.878 1.00 0.00 H new ATOM 0 HA ASP A 89 4.929 2.875 5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.771 3.735 7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.829 3.833 5.946 1.00 0.00 H new ATOM 1483 N GLY A 90 5.189 1.888 3.352 1.00 0.00 N ATOM 1484 CA GLY A 90 5.011 1.837 1.868 1.00 0.00 C ATOM 1485 C GLY A 90 6.283 1.598 1.015 1.00 0.00 C ATOM 1486 O GLY A 90 6.752 0.467 0.869 1.00 0.00 O ATOM 0 H GLY A 90 4.714 1.131 3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.296 1.046 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.560 2.776 1.548 1.00 0.00 H new ATOM 1490 N ASP A 91 6.844 2.687 0.471 1.00 0.00 N ATOM 1491 CA ASP A 91 8.224 2.688 -0.106 1.00 0.00 C ATOM 1492 C ASP A 91 9.387 2.531 0.943 1.00 0.00 C ATOM 1493 O ASP A 91 10.399 1.900 0.626 1.00 0.00 O ATOM 1494 CB ASP A 91 8.322 3.968 -0.985 1.00 0.00 C ATOM 1495 CG ASP A 91 9.621 4.203 -1.765 1.00 0.00 C ATOM 1496 OD1 ASP A 91 10.437 5.063 -1.459 1.00 0.00 O ATOM 1497 OD2 ASP A 91 9.757 3.386 -2.848 1.00 0.00 O ATOM 0 H ASP A 91 6.372 3.589 0.412 1.00 0.00 H new ATOM 0 HA ASP A 91 8.374 1.793 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.501 3.946 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.158 4.831 -0.339 1.00 0.00 H new ATOM 1503 N LYS A 92 9.257 3.109 2.153 1.00 0.00 N ATOM 1504 CA LYS A 92 10.316 3.100 3.193 1.00 0.00 C ATOM 1505 C LYS A 92 10.166 1.898 4.170 1.00 0.00 C ATOM 1506 O LYS A 92 9.147 1.734 4.844 1.00 0.00 O ATOM 1507 CB LYS A 92 10.268 4.459 3.952 1.00 0.00 C ATOM 1508 CG LYS A 92 10.852 5.658 3.169 1.00 0.00 C ATOM 1509 CD LYS A 92 10.636 7.015 3.859 1.00 0.00 C ATOM 1510 CE LYS A 92 11.300 8.154 3.066 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.107 9.440 3.761 1.00 0.00 N ATOM 0 H LYS A 92 8.411 3.599 2.443 1.00 0.00 H new ATOM 0 HA LYS A 92 11.287 2.977 2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.232 4.680 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.813 4.355 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.921 5.500 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.398 5.688 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.568 7.211 3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.047 6.983 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.365 7.952 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.873 8.206 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.560 10.201 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.090 9.637 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.535 9.391 4.708 1.00 0.00 H new ATOM 1524 N LEU A 93 11.224 1.090 4.300 1.00 0.00 N ATOM 1525 CA LEU A 93 11.357 0.095 5.389 1.00 0.00 C ATOM 1526 C LEU A 93 12.073 0.776 6.601 1.00 0.00 C ATOM 1527 O LEU A 93 13.260 1.118 6.540 1.00 0.00 O ATOM 1528 CB LEU A 93 12.115 -1.112 4.781 1.00 0.00 C ATOM 1529 CG LEU A 93 12.190 -2.374 5.669 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.831 -3.089 5.760 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.236 -3.349 5.112 1.00 0.00 C ATOM 0 H LEU A 93 12.016 1.101 3.657 1.00 0.00 H new ATOM 0 HA LEU A 93 10.407 -0.269 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.636 -1.381 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.131 -0.797 4.543 1.00 0.00 H new ATOM 0 HG LEU A 93 12.475 -2.051 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.926 -3.971 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.092 -2.412 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.511 -3.391 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.281 -4.235 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.959 -3.641 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.212 -2.865 5.096 1.00 0.00 H new ATOM 1543 N GLN A 94 11.307 1.023 7.672 1.00 0.00 N ATOM 1544 CA GLN A 94 11.763 1.808 8.849 1.00 0.00 C ATOM 1545 C GLN A 94 12.232 0.870 9.996 1.00 0.00 C ATOM 1546 O GLN A 94 11.511 -0.059 10.372 1.00 0.00 O ATOM 1547 CB GLN A 94 10.587 2.703 9.332 1.00 0.00 C ATOM 1548 CG GLN A 94 10.287 3.917 8.430 1.00 0.00 C ATOM 1549 CD GLN A 94 11.374 4.999 8.435 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.487 4.892 8.946 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.110 6.069 7.761 1.00 0.00 N ATOM 0 H GLN A 94 10.348 0.687 7.756 1.00 0.00 H new ATOM 0 HA GLN A 94 12.612 2.428 8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.688 2.090 9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.810 3.061 10.337 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.145 3.567 7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.345 4.365 8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.195 6.185 7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.817 6.798 7.664 1.00 0.00 H new ATOM 1560 N CYS A 95 13.420 1.121 10.566 1.00 0.00 N ATOM 1561 CA CYS A 95 14.016 0.251 11.606 1.00 0.00 C ATOM 1562 C CYS A 95 14.428 1.059 12.862 1.00 0.00 C ATOM 1563 O CYS A 95 15.188 2.030 12.771 1.00 0.00 O ATOM 1564 CB CYS A 95 15.231 -0.457 10.985 1.00 0.00 C ATOM 1565 SG CYS A 95 16.078 -1.520 12.205 1.00 0.00 S ATOM 0 H CYS A 95 13.997 1.927 10.325 1.00 0.00 H new ATOM 0 HA CYS A 95 13.279 -0.480 11.939 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.908 -1.060 10.137 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.930 0.286 10.600 1.00 0.00 H new ATOM 0 HG CYS A 95 17.225 -1.901 11.726 1.00 0.00 H new ATOM 1571 N VAL A 96 13.967 0.605 14.039 1.00 0.00 N ATOM 1572 CA VAL A 96 14.446 1.121 15.352 1.00 0.00 C ATOM 1573 C VAL A 96 15.184 -0.034 16.112 1.00 0.00 C ATOM 1574 O VAL A 96 14.579 -1.051 16.471 1.00 0.00 O ATOM 1575 CB VAL A 96 13.286 1.828 16.136 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.099 0.933 16.562 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.805 2.593 17.373 1.00 0.00 C ATOM 0 H VAL A 96 13.258 -0.124 14.118 1.00 0.00 H new ATOM 0 HA VAL A 96 15.184 1.912 15.223 1.00 0.00 H new ATOM 0 HB VAL A 96 12.888 2.518 15.391 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.363 1.535 17.095 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.638 0.495 15.677 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.459 0.138 17.215 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.968 3.067 17.885 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.298 1.896 18.051 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.516 3.356 17.057 1.00 0.00 H new ATOM 1587 N GLN A 97 16.499 0.123 16.343 1.00 0.00 N ATOM 1588 CA GLN A 97 17.337 -0.881 17.057 1.00 0.00 C ATOM 1589 C GLN A 97 17.395 -0.513 18.575 1.00 0.00 C ATOM 1590 O GLN A 97 18.210 0.318 18.993 1.00 0.00 O ATOM 1591 CB GLN A 97 18.747 -0.912 16.396 1.00 0.00 C ATOM 1592 CG GLN A 97 18.820 -1.446 14.941 1.00 0.00 C ATOM 1593 CD GLN A 97 20.150 -1.187 14.229 1.00 0.00 C ATOM 1594 OE1 GLN A 97 20.384 -0.129 13.656 1.00 0.00 O ATOM 1595 NE2 GLN A 97 21.059 -2.133 14.215 1.00 0.00 N ATOM 0 H GLN A 97 17.020 0.947 16.043 1.00 0.00 H new ATOM 0 HA GLN A 97 16.910 -1.881 16.981 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.151 0.100 16.408 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.401 -1.524 17.017 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.633 -2.520 14.953 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.018 -0.990 14.361 1.00 0.00 H new ATOM 0 HE21 GLN A 97 20.880 -3.019 14.687 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.945 -1.982 13.732 1.00 0.00 H new ATOM 1604 N LYS A 98 16.517 -1.107 19.407 1.00 0.00 N ATOM 1605 CA LYS A 98 16.344 -0.666 20.820 1.00 0.00 C ATOM 1606 C LYS A 98 17.328 -1.396 21.787 1.00 0.00 C ATOM 1607 O LYS A 98 17.183 -2.584 22.090 1.00 0.00 O ATOM 1608 CB LYS A 98 14.892 -0.872 21.311 1.00 0.00 C ATOM 1609 CG LYS A 98 13.769 -0.159 20.527 1.00 0.00 C ATOM 1610 CD LYS A 98 12.411 -0.363 21.226 1.00 0.00 C ATOM 1611 CE LYS A 98 11.196 0.203 20.473 1.00 0.00 C ATOM 1612 NZ LYS A 98 11.148 1.679 20.517 1.00 0.00 N ATOM 0 H LYS A 98 15.918 -1.887 19.136 1.00 0.00 H new ATOM 0 HA LYS A 98 16.573 0.400 20.833 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.682 -1.942 21.302 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.838 -0.545 22.349 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.990 0.906 20.451 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.724 -0.548 19.510 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.257 -1.431 21.381 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.455 0.099 22.212 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.229 -0.127 19.435 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.282 -0.201 20.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.313 2.015 19.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.090 1.995 21.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.008 2.067 20.079 1.00 0.00 H new ATOM 1625 N GLY A 99 18.310 -0.652 22.296 1.00 0.00 N ATOM 1626 CA GLY A 99 19.284 -1.190 23.278 1.00 0.00 C ATOM 1627 C GLY A 99 20.321 -0.155 23.728 1.00 0.00 C ATOM 1628 O GLY A 99 21.415 -0.099 23.162 1.00 0.00 O ATOM 0 H GLY A 99 18.462 0.327 22.052 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.745 -1.558 24.151 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.799 -2.044 22.838 1.00 0.00 H new ATOM 1632 N GLU A 100 19.979 0.660 24.747 1.00 0.00 N ATOM 1633 CA GLU A 100 20.879 1.707 25.331 1.00 0.00 C ATOM 1634 C GLU A 100 21.173 2.962 24.437 1.00 0.00 C ATOM 1635 O GLU A 100 20.994 4.093 24.894 1.00 0.00 O ATOM 1636 CB GLU A 100 22.147 1.072 25.979 1.00 0.00 C ATOM 1637 CG GLU A 100 22.945 1.994 26.931 1.00 0.00 C ATOM 1638 CD GLU A 100 24.214 1.340 27.470 1.00 0.00 C ATOM 1639 OE1 GLU A 100 25.302 1.388 26.904 1.00 0.00 O ATOM 1640 OE2 GLU A 100 24.004 0.689 28.648 1.00 0.00 O ATOM 0 H GLU A 100 19.066 0.619 25.200 1.00 0.00 H new ATOM 0 HA GLU A 100 20.290 2.156 26.131 1.00 0.00 H new ATOM 0 HB2 GLU A 100 21.844 0.183 26.533 1.00 0.00 H new ATOM 0 HB3 GLU A 100 22.812 0.739 25.182 1.00 0.00 H new ATOM 0 HG2 GLU A 100 23.211 2.910 26.403 1.00 0.00 H new ATOM 0 HG3 GLU A 100 22.308 2.282 27.767 1.00 0.00 H new ATOM 1648 N LYS A 101 21.675 2.769 23.206 1.00 0.00 N ATOM 1649 CA LYS A 101 22.255 3.858 22.374 1.00 0.00 C ATOM 1650 C LYS A 101 21.210 4.852 21.775 1.00 0.00 C ATOM 1651 O LYS A 101 20.109 4.475 21.356 1.00 0.00 O ATOM 1652 CB LYS A 101 23.135 3.206 21.271 1.00 0.00 C ATOM 1653 CG LYS A 101 24.469 2.602 21.770 1.00 0.00 C ATOM 1654 CD LYS A 101 25.534 3.648 22.193 1.00 0.00 C ATOM 1655 CE LYS A 101 26.801 3.665 21.324 1.00 0.00 C ATOM 1656 NZ LYS A 101 26.499 4.116 19.952 1.00 0.00 N ATOM 0 H LYS A 101 21.694 1.856 22.752 1.00 0.00 H new ATOM 0 HA LYS A 101 22.858 4.488 23.028 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.558 2.420 20.784 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.355 3.957 20.512 1.00 0.00 H new ATOM 0 HG2 LYS A 101 24.262 1.950 22.619 1.00 0.00 H new ATOM 0 HG3 LYS A 101 24.887 1.976 20.981 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.080 4.639 22.168 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.822 3.455 23.227 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.544 4.325 21.772 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.238 2.667 21.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 27.387 4.313 19.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 25.974 3.372 19.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 25.923 4.981 19.990 1.00 0.00 H new ATOM 1669 N GLU A 102 21.578 6.147 21.746 1.00 0.00 N ATOM 1670 CA GLU A 102 20.604 7.254 21.522 1.00 0.00 C ATOM 1671 C GLU A 102 20.258 7.449 20.015 1.00 0.00 C ATOM 1672 O GLU A 102 20.966 8.126 19.264 1.00 0.00 O ATOM 1673 CB GLU A 102 21.126 8.571 22.173 1.00 0.00 C ATOM 1674 CG GLU A 102 21.365 8.582 23.707 1.00 0.00 C ATOM 1675 CD GLU A 102 20.150 8.241 24.574 1.00 0.00 C ATOM 1676 OE1 GLU A 102 19.093 8.862 24.549 1.00 0.00 O ATOM 1677 OE2 GLU A 102 20.375 7.164 25.375 1.00 0.00 O ATOM 0 H GLU A 102 22.540 6.461 21.874 1.00 0.00 H new ATOM 0 HA GLU A 102 19.669 6.976 22.009 1.00 0.00 H new ATOM 0 HB2 GLU A 102 22.066 8.834 21.687 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.414 9.363 21.940 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.161 7.874 23.937 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.725 9.570 23.992 1.00 0.00 H new ATOM 1685 N GLY A 103 19.159 6.820 19.575 1.00 0.00 N ATOM 1686 CA GLY A 103 18.786 6.794 18.137 1.00 0.00 C ATOM 1687 C GLY A 103 19.559 5.823 17.227 1.00 0.00 C ATOM 1688 O GLY A 103 19.922 6.214 16.116 1.00 0.00 O ATOM 0 H GLY A 103 18.510 6.322 20.184 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.726 6.550 18.067 1.00 0.00 H new ATOM 0 HA3 GLY A 103 18.909 7.801 17.738 1.00 0.00 H new ATOM 1692 N ARG A 104 19.752 4.559 17.651 1.00 0.00 N ATOM 1693 CA ARG A 104 20.249 3.492 16.741 1.00 0.00 C ATOM 1694 C ARG A 104 19.098 2.977 15.809 1.00 0.00 C ATOM 1695 O ARG A 104 18.056 2.509 16.281 1.00 0.00 O ATOM 1696 CB ARG A 104 20.946 2.357 17.545 1.00 0.00 C ATOM 1697 CG ARG A 104 21.884 1.485 16.663 1.00 0.00 C ATOM 1698 CD ARG A 104 22.328 0.130 17.243 1.00 0.00 C ATOM 1699 NE ARG A 104 23.337 0.233 18.329 1.00 0.00 N ATOM 1700 CZ ARG A 104 24.083 -0.783 18.771 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.141 -1.971 18.205 1.00 0.00 N ATOM 1702 NH2 ARG A 104 24.803 -0.591 19.839 1.00 0.00 N ATOM 0 H ARG A 104 19.575 4.247 18.606 1.00 0.00 H new ATOM 0 HA ARG A 104 21.011 3.911 16.084 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.524 2.796 18.359 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.187 1.721 18.000 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.381 1.299 15.714 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.778 2.068 16.440 1.00 0.00 H new ATOM 0 HD2 ARG A 104 21.452 -0.394 17.625 1.00 0.00 H new ATOM 0 HD3 ARG A 104 22.738 -0.480 16.438 1.00 0.00 H new ATOM 0 HE ARG A 104 23.469 1.144 18.768 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.591 -2.165 17.368 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.736 -2.697 18.603 1.00 0.00 H new ATOM 0 HH21 ARG A 104 24.785 0.313 20.310 1.00 0.00 H new ATOM 0 HH22 ARG A 104 25.385 -1.345 20.204 1.00 0.00 H new ATOM 1716 N GLY A 105 19.284 3.077 14.487 1.00 0.00 N ATOM 1717 CA GLY A 105 18.266 2.623 13.504 1.00 0.00 C ATOM 1718 C GLY A 105 18.631 2.877 12.029 1.00 0.00 C ATOM 1719 O GLY A 105 19.751 3.273 11.693 1.00 0.00 O ATOM 0 H GLY A 105 20.126 3.467 14.064 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.099 1.555 13.643 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.323 3.124 13.721 1.00 0.00 H new ATOM 1723 N TRP A 106 17.666 2.638 11.128 1.00 0.00 N ATOM 1724 CA TRP A 106 17.859 2.878 9.667 1.00 0.00 C ATOM 1725 C TRP A 106 16.529 3.068 8.870 1.00 0.00 C ATOM 1726 O TRP A 106 15.469 2.548 9.229 1.00 0.00 O ATOM 1727 CB TRP A 106 18.839 1.853 8.999 1.00 0.00 C ATOM 1728 CG TRP A 106 18.572 0.347 9.131 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.239 -0.511 10.032 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.674 -0.454 8.450 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.781 -1.840 9.927 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.800 -1.778 8.950 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.671 -0.139 7.502 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.910 -2.788 8.513 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.793 -1.145 7.103 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.916 -2.452 7.592 1.00 0.00 C ATOM 0 H TRP A 106 16.743 2.280 11.372 1.00 0.00 H new ATOM 0 HA TRP A 106 18.356 3.846 9.608 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.876 2.085 7.935 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.834 2.044 9.402 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.007 -0.188 10.719 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.098 -2.657 10.449 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.588 0.859 7.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.998 -3.798 8.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 15.003 -0.913 6.404 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.230 -3.213 7.251 1.00 0.00 H new ATOM 1747 N THR A 107 16.612 3.792 7.741 1.00 0.00 N ATOM 1748 CA THR A 107 15.494 3.935 6.764 1.00 0.00 C ATOM 1749 C THR A 107 15.999 3.423 5.374 1.00 0.00 C ATOM 1750 O THR A 107 16.923 4.003 4.794 1.00 0.00 O ATOM 1751 CB THR A 107 15.021 5.422 6.710 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.626 5.899 7.996 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.829 5.656 5.771 1.00 0.00 C ATOM 0 H THR A 107 17.454 4.300 7.470 1.00 0.00 H new ATOM 0 HA THR A 107 14.631 3.341 7.064 1.00 0.00 H new ATOM 0 HB THR A 107 15.890 5.962 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.061 5.229 8.434 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.556 6.711 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.102 5.365 4.757 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.981 5.058 6.104 1.00 0.00 H new ATOM 1761 N GLN A 108 15.385 2.351 4.841 1.00 0.00 N ATOM 1762 CA GLN A 108 15.766 1.755 3.526 1.00 0.00 C ATOM 1763 C GLN A 108 14.597 1.890 2.500 1.00 0.00 C ATOM 1764 O GLN A 108 13.476 1.479 2.799 1.00 0.00 O ATOM 1765 CB GLN A 108 16.172 0.282 3.795 1.00 0.00 C ATOM 1766 CG GLN A 108 16.830 -0.445 2.597 1.00 0.00 C ATOM 1767 CD GLN A 108 17.527 -1.777 2.908 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.741 -1.911 2.815 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.807 -2.811 3.269 1.00 0.00 N ATOM 0 H GLN A 108 14.613 1.868 5.299 1.00 0.00 H new ATOM 0 HA GLN A 108 16.608 2.281 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.863 0.260 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.284 -0.275 4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 108 16.063 -0.628 1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.562 0.227 2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.794 -2.723 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 108 17.259 -3.704 3.466 1.00 0.00 H new ATOM 1778 N TRP A 109 14.824 2.455 1.299 1.00 0.00 N ATOM 1779 CA TRP A 109 13.729 2.708 0.309 1.00 0.00 C ATOM 1780 C TRP A 109 14.174 2.584 -1.174 1.00 0.00 C ATOM 1781 O TRP A 109 15.350 2.762 -1.492 1.00 0.00 O ATOM 1782 CB TRP A 109 13.049 4.071 0.623 1.00 0.00 C ATOM 1783 CG TRP A 109 13.753 5.379 0.235 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.542 6.103 -0.956 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.653 6.127 0.967 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.285 7.299 -0.981 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.953 7.297 0.227 1.00 0.00 C ATOM 1788 CE3 TRP A 109 15.280 5.887 2.214 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.869 8.243 0.734 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 16.178 6.837 2.702 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.459 8.003 1.976 1.00 0.00 C ATOM 0 H TRP A 109 15.747 2.748 0.980 1.00 0.00 H new ATOM 0 HA TRP A 109 12.993 1.912 0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 109 12.074 4.069 0.135 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.868 4.105 1.697 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.889 5.779 -1.753 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.321 8.002 -1.719 1.00 0.00 H new ATOM 0 HE3 TRP A 109 15.068 4.989 2.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.109 9.134 0.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.663 6.672 3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.145 8.729 2.386 1.00 0.00 H new ATOM 1802 N ILE A 110 13.227 2.330 -2.098 1.00 0.00 N ATOM 1803 CA ILE A 110 13.536 2.288 -3.562 1.00 0.00 C ATOM 1804 C ILE A 110 13.101 3.628 -4.240 1.00 0.00 C ATOM 1805 O ILE A 110 11.935 4.041 -4.167 1.00 0.00 O ATOM 1806 CB ILE A 110 12.965 1.009 -4.271 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.626 -0.284 -3.716 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.150 1.038 -5.819 1.00 0.00 C ATOM 1809 CD1 ILE A 110 12.939 -1.583 -4.146 1.00 0.00 C ATOM 0 H ILE A 110 12.249 2.151 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 110 14.616 2.198 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 110 11.897 1.007 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.666 -0.313 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.633 -0.235 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 110 12.736 0.128 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.632 1.904 -6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.212 1.103 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.466 -2.434 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.906 -1.581 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.955 -1.661 -5.233 1.00 0.00 H new ATOM 1821 N GLU A 111 14.051 4.213 -4.987 1.00 0.00 N ATOM 1822 CA GLU A 111 13.777 5.233 -6.035 1.00 0.00 C ATOM 1823 C GLU A 111 14.114 4.613 -7.434 1.00 0.00 C ATOM 1824 O GLU A 111 15.282 4.530 -7.829 1.00 0.00 O ATOM 1825 CB GLU A 111 14.613 6.511 -5.737 1.00 0.00 C ATOM 1826 CG GLU A 111 14.017 7.418 -4.636 1.00 0.00 C ATOM 1827 CD GLU A 111 14.833 8.668 -4.315 1.00 0.00 C ATOM 1828 OE1 GLU A 111 15.423 8.844 -3.254 1.00 0.00 O ATOM 1829 OE2 GLU A 111 14.803 9.584 -5.324 1.00 0.00 O ATOM 0 H GLU A 111 15.042 3.995 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 111 12.727 5.524 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.619 6.212 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.710 7.090 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.017 7.725 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.906 6.831 -3.724 1.00 0.00 H new ATOM 1837 N GLY A 112 13.089 4.151 -8.179 1.00 0.00 N ATOM 1838 CA GLY A 112 13.274 3.533 -9.526 1.00 0.00 C ATOM 1839 C GLY A 112 13.943 2.137 -9.531 1.00 0.00 C ATOM 1840 O GLY A 112 13.327 1.149 -9.127 1.00 0.00 O ATOM 0 H GLY A 112 12.116 4.191 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.299 3.451 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.875 4.207 -10.137 1.00 0.00 H new ATOM 1844 N ASP A 113 15.213 2.076 -9.959 1.00 0.00 N ATOM 1845 CA ASP A 113 16.108 0.906 -9.683 1.00 0.00 C ATOM 1846 C ASP A 113 17.311 1.210 -8.714 1.00 0.00 C ATOM 1847 O ASP A 113 18.387 0.618 -8.872 1.00 0.00 O ATOM 1848 CB ASP A 113 16.529 0.257 -11.036 1.00 0.00 C ATOM 1849 CG ASP A 113 17.420 1.073 -11.980 1.00 0.00 C ATOM 1850 OD1 ASP A 113 17.051 1.473 -13.080 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.661 1.293 -11.454 1.00 0.00 O ATOM 0 H ASP A 113 15.658 2.817 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 113 15.536 0.176 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.046 -0.676 -10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 113 15.620 -0.005 -11.578 1.00 0.00 H new ATOM 1857 N GLU A 114 17.135 2.103 -7.722 1.00 0.00 N ATOM 1858 CA GLU A 114 18.172 2.441 -6.713 1.00 0.00 C ATOM 1859 C GLU A 114 17.593 2.247 -5.279 1.00 0.00 C ATOM 1860 O GLU A 114 16.547 2.802 -4.933 1.00 0.00 O ATOM 1861 CB GLU A 114 18.675 3.896 -6.907 1.00 0.00 C ATOM 1862 CG GLU A 114 19.621 4.111 -8.113 1.00 0.00 C ATOM 1863 CD GLU A 114 20.151 5.540 -8.261 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.326 6.320 -7.328 1.00 0.00 O ATOM 1865 OE2 GLU A 114 20.425 5.851 -9.557 1.00 0.00 O ATOM 0 H GLU A 114 16.264 2.618 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 114 19.023 1.772 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.811 4.550 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.192 4.209 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.468 3.431 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.092 3.837 -9.026 1.00 0.00 H new ATOM 1873 N LEU A 115 18.307 1.478 -4.446 1.00 0.00 N ATOM 1874 CA LEU A 115 17.985 1.301 -3.007 1.00 0.00 C ATOM 1875 C LEU A 115 18.788 2.343 -2.163 1.00 0.00 C ATOM 1876 O LEU A 115 20.022 2.339 -2.117 1.00 0.00 O ATOM 1877 CB LEU A 115 18.298 -0.176 -2.658 1.00 0.00 C ATOM 1878 CG LEU A 115 17.987 -0.677 -1.227 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.482 -0.944 -1.042 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.777 -1.967 -0.955 1.00 0.00 C ATOM 0 H LEU A 115 19.130 0.955 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 115 16.936 1.489 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.748 -0.806 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.359 -0.344 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 115 18.283 0.099 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.297 -1.295 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.925 -0.023 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.157 -1.704 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.559 -2.321 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.488 -2.730 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.844 -1.766 -1.046 1.00 0.00 H new ATOM 1892 N HIS A 116 18.057 3.249 -1.512 1.00 0.00 N ATOM 1893 CA HIS A 116 18.627 4.365 -0.718 1.00 0.00 C ATOM 1894 C HIS A 116 18.530 4.008 0.795 1.00 0.00 C ATOM 1895 O HIS A 116 17.448 3.710 1.312 1.00 0.00 O ATOM 1896 CB HIS A 116 17.831 5.655 -1.058 1.00 0.00 C ATOM 1897 CG HIS A 116 18.179 6.320 -2.391 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.828 5.810 -3.635 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.904 7.515 -2.533 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.411 6.759 -4.433 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.072 7.817 -3.872 1.00 0.00 N ATOM 0 H HIS A 116 17.037 3.238 -1.515 1.00 0.00 H new ATOM 0 HA HIS A 116 19.678 4.531 -0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.768 5.413 -1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.991 6.379 -0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.277 8.112 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.348 6.671 -5.508 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.551 8.602 -4.314 1.00 0.00 H new ATOM 1909 N LEU A 117 19.673 4.024 1.493 1.00 0.00 N ATOM 1910 CA LEU A 117 19.781 3.561 2.901 1.00 0.00 C ATOM 1911 C LEU A 117 20.379 4.698 3.782 1.00 0.00 C ATOM 1912 O LEU A 117 21.525 5.112 3.584 1.00 0.00 O ATOM 1913 CB LEU A 117 20.652 2.272 2.887 1.00 0.00 C ATOM 1914 CG LEU A 117 20.916 1.601 4.260 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.655 0.958 4.862 1.00 0.00 C ATOM 1916 CD2 LEU A 117 22.017 0.538 4.124 1.00 0.00 C ATOM 0 H LEU A 117 20.556 4.357 1.105 1.00 0.00 H new ATOM 0 HA LEU A 117 18.810 3.324 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 117 20.170 1.542 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.614 2.515 2.435 1.00 0.00 H new ATOM 0 HG LEU A 117 21.235 2.391 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.901 0.504 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.891 1.722 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 117 19.278 0.192 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 117 22.195 0.073 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.703 -0.222 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.936 1.008 3.773 1.00 0.00 H new ATOM 1928 N GLU A 118 19.619 5.173 4.782 1.00 0.00 N ATOM 1929 CA GLU A 118 20.127 6.164 5.775 1.00 0.00 C ATOM 1930 C GLU A 118 20.187 5.511 7.187 1.00 0.00 C ATOM 1931 O GLU A 118 19.146 5.214 7.778 1.00 0.00 O ATOM 1932 CB GLU A 118 19.276 7.461 5.743 1.00 0.00 C ATOM 1933 CG GLU A 118 19.412 8.285 4.435 1.00 0.00 C ATOM 1934 CD GLU A 118 18.851 9.709 4.479 1.00 0.00 C ATOM 1935 OE1 GLU A 118 18.306 10.214 5.458 1.00 0.00 O ATOM 1936 OE2 GLU A 118 19.042 10.358 3.292 1.00 0.00 O ATOM 0 H GLU A 118 18.650 4.894 4.934 1.00 0.00 H new ATOM 0 HA GLU A 118 21.142 6.460 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 118 18.228 7.197 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.563 8.090 6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.468 8.340 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.911 7.743 3.633 1.00 0.00 H new ATOM 1944 N MET A 119 21.403 5.275 7.711 1.00 0.00 N ATOM 1945 CA MET A 119 21.621 4.556 9.000 1.00 0.00 C ATOM 1946 C MET A 119 22.032 5.552 10.125 1.00 0.00 C ATOM 1947 O MET A 119 23.015 6.281 9.973 1.00 0.00 O ATOM 1948 CB MET A 119 22.721 3.470 8.851 1.00 0.00 C ATOM 1949 CG MET A 119 22.551 2.402 7.753 1.00 0.00 C ATOM 1950 SD MET A 119 23.894 1.196 7.823 1.00 0.00 S ATOM 1951 CE MET A 119 25.282 2.177 7.216 1.00 0.00 C ATOM 0 H MET A 119 22.268 5.573 7.261 1.00 0.00 H new ATOM 0 HA MET A 119 20.681 4.076 9.271 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.669 3.979 8.675 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.809 2.953 9.807 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.594 1.895 7.876 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.535 2.880 6.773 1.00 0.00 H new ATOM 0 HE1 MET A 119 26.107 1.515 6.951 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.972 2.741 6.336 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.607 2.868 7.994 1.00 0.00 H new ATOM 1961 N ARG A 120 21.311 5.571 11.257 1.00 0.00 N ATOM 1962 CA ARG A 120 21.588 6.514 12.381 1.00 0.00 C ATOM 1963 C ARG A 120 22.137 5.785 13.644 1.00 0.00 C ATOM 1964 O ARG A 120 21.678 4.691 13.987 1.00 0.00 O ATOM 1965 CB ARG A 120 20.311 7.316 12.754 1.00 0.00 C ATOM 1966 CG ARG A 120 19.701 8.168 11.610 1.00 0.00 C ATOM 1967 CD ARG A 120 18.731 9.268 12.076 1.00 0.00 C ATOM 1968 NE ARG A 120 19.464 10.462 12.579 1.00 0.00 N ATOM 1969 CZ ARG A 120 18.888 11.557 13.068 1.00 0.00 C ATOM 1970 NH1 ARG A 120 17.593 11.696 13.254 1.00 0.00 N ATOM 1971 NH2 ARG A 120 19.656 12.562 13.384 1.00 0.00 N ATOM 0 H ARG A 120 20.525 4.945 11.430 1.00 0.00 H new ATOM 0 HA ARG A 120 22.359 7.200 12.031 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.553 6.616 13.106 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.548 7.976 13.589 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.512 8.631 11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.175 7.506 10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 120 18.084 9.559 11.249 1.00 0.00 H new ATOM 0 HD3 ARG A 120 18.086 8.877 12.863 1.00 0.00 H new ATOM 0 HE ARG A 120 20.483 10.439 12.546 1.00 0.00 H new ATOM 0 HH11 ARG A 120 16.959 10.933 13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 120 17.223 12.567 13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 120 20.665 12.493 13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 120 19.248 13.417 13.762 1.00 0.00 H new ATOM 1985 N ALA A 121 23.081 6.417 14.366 1.00 0.00 N ATOM 1986 CA ALA A 121 23.410 6.051 15.773 1.00 0.00 C ATOM 1987 C ALA A 121 24.060 7.252 16.522 1.00 0.00 C ATOM 1988 O ALA A 121 24.948 7.924 15.991 1.00 0.00 O ATOM 1989 CB ALA A 121 24.315 4.810 15.835 1.00 0.00 C ATOM 0 H ALA A 121 23.638 7.190 14.002 1.00 0.00 H new ATOM 0 HA ALA A 121 22.476 5.802 16.276 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.535 4.572 16.876 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.807 3.966 15.369 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.246 5.011 15.305 1.00 0.00 H new ATOM 1995 N GLU A 122 23.598 7.554 17.752 1.00 0.00 N ATOM 1996 CA GLU A 122 23.943 8.830 18.479 1.00 0.00 C ATOM 1997 C GLU A 122 23.500 10.161 17.755 1.00 0.00 C ATOM 1998 O GLU A 122 24.213 11.169 17.778 1.00 0.00 O ATOM 1999 CB GLU A 122 25.426 8.869 18.967 1.00 0.00 C ATOM 2000 CG GLU A 122 25.956 7.598 19.673 1.00 0.00 C ATOM 2001 CD GLU A 122 27.257 7.794 20.450 1.00 0.00 C ATOM 2002 OE1 GLU A 122 28.267 8.310 19.985 1.00 0.00 O ATOM 2003 OE2 GLU A 122 27.173 7.314 21.722 1.00 0.00 O ATOM 0 H GLU A 122 22.980 6.938 18.280 1.00 0.00 H new ATOM 0 HA GLU A 122 23.318 8.798 19.371 1.00 0.00 H new ATOM 0 HB2 GLU A 122 26.063 9.071 18.106 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.538 9.710 19.651 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.191 7.234 20.359 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.109 6.821 18.925 1.00 0.00 H new ATOM 2011 N GLY A 123 22.348 10.150 17.057 1.00 0.00 N ATOM 2012 CA GLY A 123 22.042 11.159 15.998 1.00 0.00 C ATOM 2013 C GLY A 123 22.868 11.175 14.674 1.00 0.00 C ATOM 2014 O GLY A 123 22.590 12.020 13.822 1.00 0.00 O ATOM 0 H GLY A 123 21.610 9.460 17.199 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.994 11.035 15.725 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.138 12.145 16.452 1.00 0.00 H new ATOM 2018 N VAL A 124 23.869 10.299 14.476 1.00 0.00 N ATOM 2019 CA VAL A 124 24.866 10.435 13.372 1.00 0.00 C ATOM 2020 C VAL A 124 24.412 9.575 12.154 1.00 0.00 C ATOM 2021 O VAL A 124 24.407 8.343 12.213 1.00 0.00 O ATOM 2022 CB VAL A 124 26.300 10.041 13.859 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.363 10.148 12.749 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.818 10.869 15.061 1.00 0.00 C ATOM 0 H VAL A 124 24.019 9.480 15.065 1.00 0.00 H new ATOM 0 HA VAL A 124 24.915 11.478 13.059 1.00 0.00 H new ATOM 0 HB VAL A 124 26.169 9.004 14.169 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.336 9.862 13.148 1.00 0.00 H new ATOM 0 HG12 VAL A 124 27.099 9.483 11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.407 11.175 12.386 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.818 10.530 15.333 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.854 11.924 14.788 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.147 10.737 15.910 1.00 0.00 H new ATOM 2034 N THR A 125 24.081 10.247 11.045 1.00 0.00 N ATOM 2035 CA THR A 125 23.489 9.593 9.843 1.00 0.00 C ATOM 2036 C THR A 125 24.592 9.223 8.796 1.00 0.00 C ATOM 2037 O THR A 125 25.252 10.104 8.234 1.00 0.00 O ATOM 2038 CB THR A 125 22.371 10.495 9.228 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.431 10.896 10.220 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.534 9.795 8.142 1.00 0.00 C ATOM 0 H THR A 125 24.210 11.254 10.943 1.00 0.00 H new ATOM 0 HA THR A 125 23.025 8.656 10.151 1.00 0.00 H new ATOM 0 HB THR A 125 22.917 11.334 8.798 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.743 11.461 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.779 10.484 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.185 9.485 7.324 1.00 0.00 H new ATOM 0 HG23 THR A 125 21.044 8.919 8.568 1.00 0.00 H new ATOM 2048 N CYS A 126 24.739 7.922 8.493 1.00 0.00 N ATOM 2049 CA CYS A 126 25.448 7.442 7.278 1.00 0.00 C ATOM 2050 C CYS A 126 24.462 7.253 6.087 1.00 0.00 C ATOM 2051 O CYS A 126 23.474 6.519 6.192 1.00 0.00 O ATOM 2052 CB CYS A 126 26.154 6.118 7.625 1.00 0.00 C ATOM 2053 SG CYS A 126 26.802 5.285 6.132 1.00 0.00 S ATOM 0 H CYS A 126 24.374 7.170 9.077 1.00 0.00 H new ATOM 0 HA CYS A 126 26.182 8.184 6.964 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.973 6.313 8.317 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.455 5.456 8.136 1.00 0.00 H new ATOM 0 HG CYS A 126 27.676 4.388 6.480 1.00 0.00 H new ATOM 2059 N LYS A 127 24.745 7.905 4.950 1.00 0.00 N ATOM 2060 CA LYS A 127 23.849 7.895 3.759 1.00 0.00 C ATOM 2061 C LYS A 127 24.492 7.035 2.625 1.00 0.00 C ATOM 2062 O LYS A 127 25.566 7.369 2.113 1.00 0.00 O ATOM 2063 CB LYS A 127 23.563 9.357 3.311 1.00 0.00 C ATOM 2064 CG LYS A 127 22.890 10.272 4.366 1.00 0.00 C ATOM 2065 CD LYS A 127 22.461 11.638 3.802 1.00 0.00 C ATOM 2066 CE LYS A 127 21.790 12.509 4.875 1.00 0.00 C ATOM 2067 NZ LYS A 127 21.409 13.812 4.297 1.00 0.00 N ATOM 0 H LYS A 127 25.594 8.455 4.819 1.00 0.00 H new ATOM 0 HA LYS A 127 22.891 7.438 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.505 9.815 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.927 9.327 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 127 22.016 9.764 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.581 10.429 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 127 23.333 12.158 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.772 11.489 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.908 12.003 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 127 22.471 12.658 5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 20.956 14.397 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 22.259 14.297 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.744 13.662 3.512 1.00 0.00 H new ATOM 2080 N GLN A 128 23.850 5.914 2.250 1.00 0.00 N ATOM 2081 CA GLN A 128 24.411 4.935 1.272 1.00 0.00 C ATOM 2082 C GLN A 128 23.441 4.691 0.072 1.00 0.00 C ATOM 2083 O GLN A 128 22.235 4.491 0.253 1.00 0.00 O ATOM 2084 CB GLN A 128 24.756 3.601 1.989 1.00 0.00 C ATOM 2085 CG GLN A 128 25.886 3.696 3.049 1.00 0.00 C ATOM 2086 CD GLN A 128 26.592 2.389 3.421 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.796 2.244 3.262 1.00 0.00 O ATOM 2088 NE2 GLN A 128 25.903 1.402 3.939 1.00 0.00 N ATOM 0 H GLN A 128 22.932 5.652 2.608 1.00 0.00 H new ATOM 0 HA GLN A 128 25.326 5.360 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.855 3.224 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 128 25.045 2.867 1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.637 4.396 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.465 4.126 3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.898 1.501 4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 128 26.372 0.535 4.201 1.00 0.00 H new ATOM 2097 N VAL A 129 23.989 4.677 -1.158 1.00 0.00 N ATOM 2098 CA VAL A 129 23.196 4.441 -2.406 1.00 0.00 C ATOM 2099 C VAL A 129 23.634 3.073 -3.024 1.00 0.00 C ATOM 2100 O VAL A 129 24.822 2.791 -3.208 1.00 0.00 O ATOM 2101 CB VAL A 129 23.320 5.634 -3.418 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.510 5.427 -4.723 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.841 6.981 -2.832 1.00 0.00 C ATOM 0 H VAL A 129 24.984 4.826 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 129 22.135 4.390 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 129 24.389 5.660 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.643 6.291 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.863 4.530 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.453 5.314 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.953 7.764 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.793 6.901 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.439 7.230 -1.955 1.00 0.00 H new ATOM 2113 N PHE A 130 22.638 2.250 -3.367 1.00 0.00 N ATOM 2114 CA PHE A 130 22.818 0.911 -3.986 1.00 0.00 C ATOM 2115 C PHE A 130 22.001 0.829 -5.316 1.00 0.00 C ATOM 2116 O PHE A 130 20.897 1.367 -5.397 1.00 0.00 O ATOM 2117 CB PHE A 130 22.308 -0.162 -2.983 1.00 0.00 C ATOM 2118 CG PHE A 130 23.253 -0.589 -1.854 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.440 0.218 -0.727 1.00 0.00 C ATOM 2120 CD2 PHE A 130 23.874 -1.838 -1.914 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.241 -0.222 0.325 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.669 -2.283 -0.861 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.851 -1.474 0.259 1.00 0.00 C ATOM 0 H PHE A 130 21.658 2.492 -3.223 1.00 0.00 H new ATOM 0 HA PHE A 130 23.870 0.739 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.391 0.213 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.041 -1.053 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.962 1.185 -0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.737 -2.464 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.389 0.406 1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.143 -3.252 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.466 -1.818 1.078 1.00 0.00 H new ATOM 2133 N LYS A 131 22.495 0.119 -6.346 1.00 0.00 N ATOM 2134 CA LYS A 131 21.773 -0.029 -7.650 1.00 0.00 C ATOM 2135 C LYS A 131 21.456 -1.515 -8.000 1.00 0.00 C ATOM 2136 O LYS A 131 22.284 -2.409 -7.792 1.00 0.00 O ATOM 2137 CB LYS A 131 22.597 0.710 -8.731 1.00 0.00 C ATOM 2138 CG LYS A 131 21.963 0.742 -10.145 1.00 0.00 C ATOM 2139 CD LYS A 131 22.597 1.759 -11.114 1.00 0.00 C ATOM 2140 CE LYS A 131 22.048 3.185 -10.937 1.00 0.00 C ATOM 2141 NZ LYS A 131 22.705 4.104 -11.886 1.00 0.00 N ATOM 0 H LYS A 131 23.391 -0.367 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 131 20.786 0.429 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 131 22.760 1.736 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.577 0.239 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 131 22.038 -0.253 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 131 20.901 0.968 -10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.677 1.771 -10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.421 1.433 -12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 131 20.970 3.191 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.217 3.524 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.327 5.064 -11.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.730 4.109 -11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 22.522 3.787 -12.859 1.00 0.00 H new ATOM 2154 N LYS A 132 20.255 -1.766 -8.564 1.00 0.00 N ATOM 2155 CA LYS A 132 19.792 -3.142 -8.893 1.00 0.00 C ATOM 2156 C LYS A 132 20.491 -3.734 -10.156 1.00 0.00 C ATOM 2157 O LYS A 132 20.312 -3.235 -11.271 1.00 0.00 O ATOM 2158 CB LYS A 132 18.243 -3.140 -9.057 1.00 0.00 C ATOM 2159 CG LYS A 132 17.596 -4.492 -8.680 1.00 0.00 C ATOM 2160 CD LYS A 132 16.055 -4.464 -8.709 1.00 0.00 C ATOM 2161 CE LYS A 132 15.466 -5.728 -8.068 1.00 0.00 C ATOM 2162 NZ LYS A 132 13.993 -5.687 -8.037 1.00 0.00 N ATOM 0 H LYS A 132 19.584 -1.036 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 132 20.073 -3.793 -8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.818 -2.353 -8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 132 17.992 -2.899 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 132 17.951 -5.260 -9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.928 -4.779 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.694 -3.582 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.709 -4.380 -9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.794 -6.605 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.849 -5.834 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.634 -6.507 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.680 -4.811 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.624 -5.714 -9.009 1.00 0.00 H new ATOM 2175 N VAL A 133 21.265 -4.814 -9.969 1.00 0.00 N ATOM 2176 CA VAL A 133 21.907 -5.567 -11.096 1.00 0.00 C ATOM 2177 C VAL A 133 21.096 -6.836 -11.539 1.00 0.00 C ATOM 2178 O VAL A 133 20.971 -7.074 -12.742 1.00 0.00 O ATOM 2179 CB VAL A 133 23.433 -5.826 -10.851 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.252 -4.520 -10.732 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.780 -6.726 -9.648 1.00 0.00 C ATOM 0 H VAL A 133 21.472 -5.200 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 133 21.867 -4.911 -11.966 1.00 0.00 H new ATOM 0 HB VAL A 133 23.714 -6.373 -11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.301 -4.763 -10.563 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.156 -3.945 -11.653 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.877 -3.930 -9.896 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.862 -6.835 -9.576 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.399 -6.273 -8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.324 -7.707 -9.784 1.00 0.00 H new ATOM 2191 N HIS A 134 20.526 -7.625 -10.602 1.00 0.00 N ATOM 2192 CA HIS A 134 19.483 -8.635 -10.918 1.00 0.00 C ATOM 2193 C HIS A 134 18.137 -8.108 -10.361 1.00 0.00 C ATOM 2194 O HIS A 134 17.933 -8.119 -9.125 1.00 0.00 O ATOM 2195 CB HIS A 134 19.920 -10.009 -10.347 1.00 0.00 C ATOM 2196 CG HIS A 134 18.980 -11.169 -10.670 1.00 0.00 C ATOM 2197 ND1 HIS A 134 18.935 -11.819 -11.886 1.00 0.00 N ATOM 2198 CD2 HIS A 134 18.015 -11.711 -9.803 1.00 0.00 C ATOM 2199 CE1 HIS A 134 17.924 -12.712 -11.643 1.00 0.00 C ATOM 2200 NE2 HIS A 134 17.302 -12.730 -10.420 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.281 -7.680 -11.166 1.00 0.00 O ATOM 0 H HIS A 134 20.771 -7.583 -9.613 1.00 0.00 H new ATOM 0 HA HIS A 134 19.352 -8.788 -11.989 1.00 0.00 H new ATOM 0 HB2 HIS A 134 20.912 -10.247 -10.731 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.010 -9.924 -9.264 1.00 0.00 H new ATOM 0 HD2 HIS A 134 17.850 -11.378 -8.789 1.00 0.00 H new ATOM 0 HE1 HIS A 134 17.617 -13.402 -12.415 1.00 0.00 H new ATOM 0 HE2 HIS A 134 16.544 -13.316 -10.070 1.00 0.00 H new TER 2209 HIS A 134