USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 628 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 44 HIS :FLIP no HD1:sc= -0.116 F(o=-1.1,f=-0.038) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= 0.0785 X(o=-0.17,f=-0.038) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0685 (180deg=-0.414) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.00232 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=-0.22) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.362 K(o=0.36,f=-6.5!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-1.8e-05) USER MOD Single : A 11 MET CE :methyl -164:sc= -0.0473 (180deg=-0.388) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -160:sc=-0.00531 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.526 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 70:sc= 1.47 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.234 K(o=0.23,f=-5!) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.913 USER MOD Single : A 29 GLN : amide:sc=-0.00632 K(o=-0.0063,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 0.894 (180deg=0.606) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0123 (180deg=-0.139) USER MOD Single : A 50 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0519 (180deg=-0.289) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00503 X(o=-0.005,f=-0.29) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -34:sc= 0.19 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= -0.847 (180deg=-2.84!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.129 -1.262 -4.139 1.00 0.00 N ATOM 2 CA MET A 1 0.730 -1.174 -4.583 1.00 0.00 C ATOM 3 C MET A 1 0.667 -0.913 -6.076 1.00 0.00 C ATOM 4 O MET A 1 1.363 -0.033 -6.588 1.00 0.00 O ATOM 5 CB MET A 1 -0.008 -0.064 -3.818 1.00 0.00 C ATOM 6 CG MET A 1 -1.470 0.114 -4.230 1.00 0.00 C ATOM 7 SD MET A 1 -2.475 -1.361 -3.925 1.00 0.00 S ATOM 8 CE MET A 1 -2.394 -1.477 -2.137 1.00 0.00 C ATOM 0 H1 MET A 1 2.207 -0.905 -3.165 1.00 0.00 H new ATOM 0 H2 MET A 1 2.442 -2.253 -4.171 1.00 0.00 H new ATOM 0 H3 MET A 1 2.729 -0.690 -4.767 1.00 0.00 H new ATOM 0 HA MET A 1 0.240 -2.125 -4.373 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.033 -0.284 -2.751 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.518 0.878 -3.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.896 0.956 -3.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.515 0.365 -5.290 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.177 -2.146 -1.780 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.420 -1.867 -1.841 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.536 -0.488 -1.701 1.00 0.00 H new ATOM 20 N GLY A 2 -0.149 -1.688 -6.775 1.00 0.00 N ATOM 21 CA GLY A 2 -0.306 -1.502 -8.200 1.00 0.00 C ATOM 22 C GLY A 2 -1.127 -0.270 -8.518 1.00 0.00 C ATOM 23 O GLY A 2 -2.343 -0.354 -8.712 1.00 0.00 O ATOM 0 H GLY A 2 -0.706 -2.444 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.676 -1.415 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.787 -2.380 -8.631 1.00 0.00 H new ATOM 27 N HIS A 3 -0.463 0.873 -8.559 1.00 0.00 N ATOM 28 CA HIS A 3 -1.121 2.138 -8.837 1.00 0.00 C ATOM 29 C HIS A 3 -1.480 2.255 -10.313 1.00 0.00 C ATOM 30 O HIS A 3 -0.858 1.610 -11.168 1.00 0.00 O ATOM 31 CB HIS A 3 -0.231 3.320 -8.399 1.00 0.00 C ATOM 32 CG HIS A 3 1.047 3.472 -9.182 1.00 0.00 C ATOM 33 ND1 HIS A 3 2.215 2.813 -8.858 1.00 0.00 N ATOM 34 CD2 HIS A 3 1.333 4.222 -10.274 1.00 0.00 C ATOM 35 CE1 HIS A 3 3.164 3.154 -9.716 1.00 0.00 C ATOM 36 NE2 HIS A 3 2.654 4.005 -10.584 1.00 0.00 N ATOM 0 H HIS A 3 0.542 0.950 -8.401 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.046 2.171 -8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.806 4.242 -8.487 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.018 3.198 -7.345 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.649 4.870 -10.803 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.183 2.796 -9.706 1.00 0.00 H new ATOM 0 HE2 HIS A 3 3.158 4.433 -11.360 1.00 0.00 H new ATOM 44 N HIS A 4 -2.468 3.076 -10.605 1.00 0.00 N ATOM 45 CA HIS A 4 -2.934 3.271 -11.970 1.00 0.00 C ATOM 46 C HIS A 4 -1.983 4.162 -12.748 1.00 0.00 C ATOM 47 O HIS A 4 -1.264 4.980 -12.169 1.00 0.00 O ATOM 48 CB HIS A 4 -4.347 3.861 -11.993 1.00 0.00 C ATOM 49 CG HIS A 4 -5.405 2.925 -11.495 1.00 0.00 C ATOM 50 ND1 HIS A 4 -6.066 2.031 -12.312 1.00 0.00 N ATOM 51 CD2 HIS A 4 -5.912 2.736 -10.254 1.00 0.00 C ATOM 52 CE1 HIS A 4 -6.931 1.337 -11.597 1.00 0.00 C ATOM 53 NE2 HIS A 4 -6.859 1.743 -10.348 1.00 0.00 N ATOM 0 H HIS A 4 -2.971 3.626 -9.909 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.962 2.292 -12.449 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.362 4.766 -11.386 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.589 4.158 -13.013 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.626 3.266 -9.357 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.587 0.566 -11.974 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.416 1.380 -9.574 1.00 0.00 H new ATOM 61 N HIS A 5 -1.974 3.996 -14.054 1.00 0.00 N ATOM 62 CA HIS A 5 -1.098 4.772 -14.920 1.00 0.00 C ATOM 63 C HIS A 5 -1.898 5.768 -15.731 1.00 0.00 C ATOM 64 O HIS A 5 -2.967 5.443 -16.255 1.00 0.00 O ATOM 65 CB HIS A 5 -0.301 3.856 -15.854 1.00 0.00 C ATOM 66 CG HIS A 5 0.615 2.915 -15.139 1.00 0.00 C ATOM 67 ND1 HIS A 5 1.846 3.288 -14.641 1.00 0.00 N ATOM 68 CD2 HIS A 5 0.471 1.606 -14.827 1.00 0.00 C ATOM 69 CE1 HIS A 5 2.416 2.251 -14.057 1.00 0.00 C ATOM 70 NE2 HIS A 5 1.603 1.223 -14.157 1.00 0.00 N ATOM 0 H HIS A 5 -2.566 3.327 -14.546 1.00 0.00 H new ATOM 0 HA HIS A 5 -0.397 5.315 -14.287 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -0.997 3.279 -16.462 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.285 4.471 -16.537 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.377 0.980 -15.062 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.384 2.248 -13.579 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.786 0.288 -13.793 1.00 0.00 H new ATOM 78 N HIS A 6 -1.382 6.982 -15.825 1.00 0.00 N ATOM 79 CA HIS A 6 -2.043 8.044 -16.568 1.00 0.00 C ATOM 80 C HIS A 6 -2.026 7.748 -18.059 1.00 0.00 C ATOM 81 O HIS A 6 -2.997 8.014 -18.767 1.00 0.00 O ATOM 82 CB HIS A 6 -1.384 9.399 -16.289 1.00 0.00 C ATOM 83 CG HIS A 6 -1.513 9.853 -14.868 1.00 0.00 C ATOM 84 ND1 HIS A 6 -0.504 9.711 -13.940 1.00 0.00 N ATOM 85 CD2 HIS A 6 -2.539 10.447 -14.213 1.00 0.00 C ATOM 86 CE1 HIS A 6 -0.903 10.195 -12.778 1.00 0.00 C ATOM 87 NE2 HIS A 6 -2.129 10.647 -12.918 1.00 0.00 N ATOM 0 H HIS A 6 -0.501 7.259 -15.393 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.080 8.091 -16.235 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.327 9.338 -16.546 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.828 10.150 -16.942 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.499 10.713 -14.631 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.321 10.216 -11.868 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.687 11.078 -12.181 1.00 0.00 H new ATOM 95 N HIS A 7 -0.924 7.186 -18.529 1.00 0.00 N ATOM 96 CA HIS A 7 -0.773 6.868 -19.939 1.00 0.00 C ATOM 97 C HIS A 7 0.048 5.587 -20.090 1.00 0.00 C ATOM 98 O HIS A 7 0.607 5.088 -19.117 1.00 0.00 O ATOM 99 CB HIS A 7 -0.080 8.028 -20.672 1.00 0.00 C ATOM 100 CG HIS A 7 -0.409 8.114 -22.137 1.00 0.00 C ATOM 101 ND1 HIS A 7 0.164 7.301 -23.099 1.00 0.00 N ATOM 102 CD2 HIS A 7 -1.263 8.924 -22.800 1.00 0.00 C ATOM 103 CE1 HIS A 7 -0.330 7.616 -24.286 1.00 0.00 C ATOM 104 NE2 HIS A 7 -1.193 8.594 -24.129 1.00 0.00 N ATOM 0 H HIS A 7 -0.119 6.940 -17.953 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.759 6.717 -20.379 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.360 8.966 -20.192 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.999 7.922 -20.559 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.886 9.690 -22.364 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -0.068 7.149 -25.224 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -1.726 9.037 -24.877 1.00 0.00 H new ATOM 112 N HIS A 8 0.101 5.059 -21.302 1.00 0.00 N ATOM 113 CA HIS A 8 0.874 3.853 -21.588 1.00 0.00 C ATOM 114 C HIS A 8 2.351 4.189 -21.743 1.00 0.00 C ATOM 115 O HIS A 8 3.220 3.351 -21.492 1.00 0.00 O ATOM 116 CB HIS A 8 0.359 3.167 -22.857 1.00 0.00 C ATOM 117 CG HIS A 8 -1.039 2.647 -22.741 1.00 0.00 C ATOM 118 ND1 HIS A 8 -2.151 3.407 -23.041 1.00 0.00 N ATOM 119 CD2 HIS A 8 -1.507 1.437 -22.355 1.00 0.00 C ATOM 120 CE1 HIS A 8 -3.238 2.687 -22.843 1.00 0.00 C ATOM 121 NE2 HIS A 8 -2.874 1.491 -22.427 1.00 0.00 N ATOM 0 H HIS A 8 -0.384 5.447 -22.111 1.00 0.00 H new ATOM 0 HA HIS A 8 0.754 3.169 -20.748 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.405 3.875 -23.685 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.024 2.340 -23.107 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.914 0.588 -22.048 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.254 3.021 -22.996 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.509 0.727 -22.195 1.00 0.00 H new ATOM 129 N SER A 9 2.627 5.412 -22.169 1.00 0.00 N ATOM 130 CA SER A 9 3.984 5.862 -22.380 1.00 0.00 C ATOM 131 C SER A 9 4.057 7.382 -22.239 1.00 0.00 C ATOM 132 O SER A 9 3.035 8.069 -22.301 1.00 0.00 O ATOM 133 CB SER A 9 4.471 5.423 -23.771 1.00 0.00 C ATOM 134 OG SER A 9 5.839 5.749 -23.973 1.00 0.00 O ATOM 0 H SER A 9 1.916 6.114 -22.376 1.00 0.00 H new ATOM 0 HA SER A 9 4.633 5.413 -21.628 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.332 4.348 -23.883 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.865 5.904 -24.538 1.00 0.00 H new ATOM 0 HG SER A 9 6.117 5.455 -24.866 1.00 0.00 H new ATOM 140 N HIS A 10 5.256 7.901 -22.043 1.00 0.00 N ATOM 141 CA HIS A 10 5.451 9.332 -21.909 1.00 0.00 C ATOM 142 C HIS A 10 5.761 9.946 -23.266 1.00 0.00 C ATOM 143 O HIS A 10 6.708 9.531 -23.946 1.00 0.00 O ATOM 144 CB HIS A 10 6.587 9.638 -20.919 1.00 0.00 C ATOM 145 CG HIS A 10 6.804 11.107 -20.670 1.00 0.00 C ATOM 146 ND1 HIS A 10 7.843 11.822 -21.232 1.00 0.00 N ATOM 147 CD2 HIS A 10 6.112 11.996 -19.917 1.00 0.00 C ATOM 148 CE1 HIS A 10 7.779 13.082 -20.833 1.00 0.00 C ATOM 149 NE2 HIS A 10 6.742 13.211 -20.039 1.00 0.00 N ATOM 0 H HIS A 10 6.111 7.350 -21.973 1.00 0.00 H new ATOM 0 HA HIS A 10 4.531 9.769 -21.521 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.370 9.147 -19.970 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.512 9.204 -21.298 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.229 11.788 -19.330 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.463 13.869 -21.113 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.450 14.076 -19.584 1.00 0.00 H new ATOM 157 N MET A 11 4.963 10.918 -23.657 1.00 0.00 N ATOM 158 CA MET A 11 5.149 11.592 -24.928 1.00 0.00 C ATOM 159 C MET A 11 6.146 12.726 -24.797 1.00 0.00 C ATOM 160 O MET A 11 6.026 13.575 -23.912 1.00 0.00 O ATOM 161 CB MET A 11 3.813 12.121 -25.455 1.00 0.00 C ATOM 162 CG MET A 11 2.829 11.032 -25.847 1.00 0.00 C ATOM 163 SD MET A 11 3.460 9.981 -27.170 1.00 0.00 S ATOM 164 CE MET A 11 3.503 11.149 -28.533 1.00 0.00 C ATOM 0 H MET A 11 4.174 11.262 -23.110 1.00 0.00 H new ATOM 0 HA MET A 11 5.544 10.867 -25.640 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.357 12.751 -24.692 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.001 12.755 -26.321 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.604 10.418 -24.975 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.892 11.490 -26.165 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.594 10.607 -29.474 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.584 11.735 -28.539 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.357 11.815 -28.414 1.00 0.00 H new ATOM 174 N VAL A 12 7.129 12.735 -25.670 1.00 0.00 N ATOM 175 CA VAL A 12 8.136 13.781 -25.665 1.00 0.00 C ATOM 176 C VAL A 12 7.696 14.920 -26.566 1.00 0.00 C ATOM 177 O VAL A 12 7.802 14.836 -27.788 1.00 0.00 O ATOM 178 CB VAL A 12 9.520 13.253 -26.131 1.00 0.00 C ATOM 179 CG1 VAL A 12 10.598 14.310 -25.932 1.00 0.00 C ATOM 180 CG2 VAL A 12 9.884 11.968 -25.395 1.00 0.00 C ATOM 0 H VAL A 12 7.255 12.029 -26.395 1.00 0.00 H new ATOM 0 HA VAL A 12 8.241 14.135 -24.640 1.00 0.00 H new ATOM 0 HB VAL A 12 9.455 13.030 -27.196 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.559 13.917 -26.265 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.348 15.198 -26.512 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.660 14.572 -24.876 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.857 11.616 -25.737 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.924 12.162 -24.323 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.131 11.207 -25.598 1.00 0.00 H new ATOM 190 N LYS A 13 7.184 15.976 -25.964 1.00 0.00 N ATOM 191 CA LYS A 13 6.700 17.106 -26.720 1.00 0.00 C ATOM 192 C LYS A 13 7.307 18.387 -26.211 1.00 0.00 C ATOM 193 O LYS A 13 6.835 18.958 -25.218 1.00 0.00 O ATOM 194 CB LYS A 13 5.183 17.183 -26.649 1.00 0.00 C ATOM 195 CG LYS A 13 4.482 16.010 -27.304 1.00 0.00 C ATOM 196 CD LYS A 13 2.974 16.162 -27.214 1.00 0.00 C ATOM 197 CE LYS A 13 2.250 15.021 -27.909 1.00 0.00 C ATOM 198 NZ LYS A 13 0.777 15.178 -27.825 1.00 0.00 N ATOM 0 H LYS A 13 7.094 16.071 -24.952 1.00 0.00 H new ATOM 0 HA LYS A 13 6.997 16.971 -27.760 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.879 17.239 -25.604 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.852 18.105 -27.126 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.783 15.939 -28.349 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.788 15.082 -26.820 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.674 16.199 -26.167 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.677 17.109 -27.664 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.553 14.980 -28.955 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.542 14.074 -27.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.315 14.382 -28.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.486 15.192 -26.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.496 16.070 -28.280 1.00 0.00 H new ATOM 212 N GLU A 14 8.361 18.828 -26.890 1.00 0.00 N ATOM 213 CA GLU A 14 9.072 20.043 -26.534 1.00 0.00 C ATOM 214 C GLU A 14 9.475 20.030 -25.068 1.00 0.00 C ATOM 215 O GLU A 14 8.875 20.714 -24.231 1.00 0.00 O ATOM 216 CB GLU A 14 8.235 21.277 -26.848 1.00 0.00 C ATOM 217 CG GLU A 14 8.942 22.583 -26.564 1.00 0.00 C ATOM 218 CD GLU A 14 8.075 23.771 -26.876 1.00 0.00 C ATOM 219 OE1 GLU A 14 7.227 24.126 -26.038 1.00 0.00 O ATOM 220 OE2 GLU A 14 8.223 24.348 -27.973 1.00 0.00 O ATOM 0 H GLU A 14 8.744 18.349 -27.705 1.00 0.00 H new ATOM 0 HA GLU A 14 9.980 20.085 -27.136 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.947 21.252 -27.899 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.315 21.238 -26.265 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.237 22.615 -25.515 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.857 22.636 -27.155 1.00 0.00 H new ATOM 227 N THR A 15 10.440 19.218 -24.748 1.00 0.00 N ATOM 228 CA THR A 15 10.908 19.143 -23.425 1.00 0.00 C ATOM 229 C THR A 15 11.983 20.189 -23.196 1.00 0.00 C ATOM 230 O THR A 15 12.973 20.252 -23.930 1.00 0.00 O ATOM 231 CB THR A 15 11.464 17.770 -23.149 1.00 0.00 C ATOM 232 OG1 THR A 15 10.531 16.773 -23.598 1.00 0.00 O ATOM 233 CG2 THR A 15 11.710 17.592 -21.683 1.00 0.00 C ATOM 0 H THR A 15 10.913 18.598 -25.405 1.00 0.00 H new ATOM 0 HA THR A 15 10.076 19.331 -22.746 1.00 0.00 H new ATOM 0 HB THR A 15 12.408 17.661 -23.684 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.722 15.922 -23.152 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.111 16.595 -21.500 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.425 18.340 -21.341 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.773 17.711 -21.140 1.00 0.00 H new ATOM 241 N THR A 16 11.779 21.018 -22.208 1.00 0.00 N ATOM 242 CA THR A 16 12.733 22.048 -21.895 1.00 0.00 C ATOM 243 C THR A 16 13.736 21.563 -20.905 1.00 0.00 C ATOM 244 O THR A 16 13.550 20.525 -20.300 1.00 0.00 O ATOM 245 CB THR A 16 12.072 23.312 -21.337 1.00 0.00 C ATOM 246 OG1 THR A 16 11.341 23.006 -20.143 1.00 0.00 O ATOM 247 CG2 THR A 16 11.156 23.916 -22.345 1.00 0.00 C ATOM 0 H THR A 16 10.957 21.000 -21.604 1.00 0.00 H new ATOM 0 HA THR A 16 13.222 22.299 -22.836 1.00 0.00 H new ATOM 0 HB THR A 16 12.858 24.030 -21.102 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.925 23.823 -19.796 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.697 24.813 -21.928 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.722 24.180 -23.239 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.378 23.198 -22.606 1.00 0.00 H new ATOM 255 N TYR A 17 14.784 22.337 -20.716 1.00 0.00 N ATOM 256 CA TYR A 17 15.803 22.009 -19.731 1.00 0.00 C ATOM 257 C TYR A 17 15.148 21.877 -18.361 1.00 0.00 C ATOM 258 O TYR A 17 15.529 21.039 -17.556 1.00 0.00 O ATOM 259 CB TYR A 17 16.884 23.109 -19.687 1.00 0.00 C ATOM 260 CG TYR A 17 17.654 23.300 -20.985 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.438 22.282 -21.513 1.00 0.00 C ATOM 262 CD2 TYR A 17 17.593 24.505 -21.681 1.00 0.00 C ATOM 263 CE1 TYR A 17 19.142 22.458 -22.693 1.00 0.00 C ATOM 264 CE2 TYR A 17 18.291 24.687 -22.862 1.00 0.00 C ATOM 265 CZ TYR A 17 19.064 23.662 -23.360 1.00 0.00 C ATOM 266 OH TYR A 17 19.760 23.841 -24.535 1.00 0.00 O ATOM 0 H TYR A 17 14.956 23.200 -21.231 1.00 0.00 H new ATOM 0 HA TYR A 17 16.278 21.068 -20.008 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.410 24.054 -19.420 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.592 22.871 -18.893 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.500 21.337 -20.994 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.990 25.312 -21.292 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.749 21.657 -23.088 1.00 0.00 H new ATOM 0 HE2 TYR A 17 18.230 25.627 -23.390 1.00 0.00 H new ATOM 0 HH TYR A 17 19.596 24.744 -24.878 1.00 0.00 H new ATOM 276 N TYR A 18 14.138 22.697 -18.123 1.00 0.00 N ATOM 277 CA TYR A 18 13.427 22.687 -16.887 1.00 0.00 C ATOM 278 C TYR A 18 12.498 21.482 -16.829 1.00 0.00 C ATOM 279 O TYR A 18 12.355 20.847 -15.788 1.00 0.00 O ATOM 280 CB TYR A 18 12.655 23.982 -16.760 1.00 0.00 C ATOM 281 CG TYR A 18 13.543 25.204 -16.592 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.423 25.606 -17.601 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.489 25.965 -15.435 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.217 26.721 -17.451 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.285 27.083 -15.281 1.00 0.00 C ATOM 286 CZ TYR A 18 15.144 27.456 -16.291 1.00 0.00 C ATOM 287 OH TYR A 18 15.933 28.565 -16.137 1.00 0.00 O ATOM 0 H TYR A 18 13.798 23.386 -18.794 1.00 0.00 H new ATOM 0 HA TYR A 18 14.124 22.607 -16.053 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.034 24.113 -17.646 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.982 23.912 -15.906 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.481 25.032 -18.514 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.814 25.679 -14.642 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.893 27.017 -18.240 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.234 27.663 -14.371 1.00 0.00 H new ATOM 0 HH TYR A 18 15.624 29.273 -16.741 1.00 0.00 H new ATOM 297 N ASP A 19 11.878 21.173 -17.968 1.00 0.00 N ATOM 298 CA ASP A 19 10.976 20.024 -18.080 1.00 0.00 C ATOM 299 C ASP A 19 11.739 18.710 -17.872 1.00 0.00 C ATOM 300 O ASP A 19 11.229 17.768 -17.274 1.00 0.00 O ATOM 301 CB ASP A 19 10.264 20.026 -19.446 1.00 0.00 C ATOM 302 CG ASP A 19 9.095 19.042 -19.496 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.137 19.210 -18.709 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.116 18.118 -20.320 1.00 0.00 O ATOM 0 H ASP A 19 11.984 21.705 -18.832 1.00 0.00 H new ATOM 0 HA ASP A 19 10.221 20.107 -17.298 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.899 21.030 -19.661 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.981 19.774 -20.227 1.00 0.00 H new ATOM 309 N VAL A 20 12.968 18.667 -18.378 1.00 0.00 N ATOM 310 CA VAL A 20 13.861 17.511 -18.215 1.00 0.00 C ATOM 311 C VAL A 20 14.144 17.277 -16.732 1.00 0.00 C ATOM 312 O VAL A 20 14.129 16.144 -16.246 1.00 0.00 O ATOM 313 CB VAL A 20 15.203 17.737 -18.961 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.129 16.558 -18.816 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.961 18.023 -20.416 1.00 0.00 C ATOM 0 H VAL A 20 13.379 19.431 -18.914 1.00 0.00 H new ATOM 0 HA VAL A 20 13.365 16.638 -18.640 1.00 0.00 H new ATOM 0 HB VAL A 20 15.684 18.601 -18.503 1.00 0.00 H new ATOM 0 HG11 VAL A 20 17.057 16.756 -19.352 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.348 16.395 -17.761 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.653 15.669 -19.230 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.915 18.178 -20.920 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.443 17.179 -20.872 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.349 18.920 -20.514 1.00 0.00 H new ATOM 325 N LEU A 21 14.378 18.373 -16.023 1.00 0.00 N ATOM 326 CA LEU A 21 14.693 18.332 -14.586 1.00 0.00 C ATOM 327 C LEU A 21 13.421 18.260 -13.752 1.00 0.00 C ATOM 328 O LEU A 21 13.478 18.090 -12.534 1.00 0.00 O ATOM 329 CB LEU A 21 15.522 19.566 -14.165 1.00 0.00 C ATOM 330 CG LEU A 21 17.052 19.512 -14.410 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.719 18.496 -13.516 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.380 19.209 -15.844 1.00 0.00 C ATOM 0 H LEU A 21 14.357 19.314 -16.417 1.00 0.00 H new ATOM 0 HA LEU A 21 15.284 17.434 -14.406 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.126 20.434 -14.692 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.357 19.737 -13.101 1.00 0.00 H new ATOM 0 HG LEU A 21 17.437 20.503 -14.169 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.791 18.485 -13.714 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.546 18.760 -12.473 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.303 17.508 -13.714 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.462 19.180 -15.972 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.957 18.243 -16.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.959 19.984 -16.485 1.00 0.00 H new ATOM 344 N GLY A 22 12.279 18.363 -14.413 1.00 0.00 N ATOM 345 CA GLY A 22 11.020 18.290 -13.716 1.00 0.00 C ATOM 346 C GLY A 22 10.883 19.382 -12.678 1.00 0.00 C ATOM 347 O GLY A 22 10.395 19.142 -11.570 1.00 0.00 O ATOM 0 H GLY A 22 12.205 18.496 -15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.203 18.367 -14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.929 17.317 -13.233 1.00 0.00 H new ATOM 351 N VAL A 23 11.314 20.572 -13.030 1.00 0.00 N ATOM 352 CA VAL A 23 11.295 21.680 -12.107 1.00 0.00 C ATOM 353 C VAL A 23 10.549 22.853 -12.738 1.00 0.00 C ATOM 354 O VAL A 23 10.360 22.894 -13.958 1.00 0.00 O ATOM 355 CB VAL A 23 12.745 22.108 -11.733 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.325 23.087 -12.733 1.00 0.00 C ATOM 357 CG2 VAL A 23 12.830 22.629 -10.309 1.00 0.00 C ATOM 0 H VAL A 23 11.683 20.796 -13.954 1.00 0.00 H new ATOM 0 HA VAL A 23 10.784 21.372 -11.195 1.00 0.00 H new ATOM 0 HB VAL A 23 13.363 21.211 -11.780 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.337 23.358 -12.432 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.351 22.626 -13.720 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.705 23.983 -12.767 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.858 22.917 -10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.179 23.496 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.515 21.848 -9.617 1.00 0.00 H new ATOM 367 N LYS A 24 10.115 23.787 -11.918 1.00 0.00 N ATOM 368 CA LYS A 24 9.389 24.938 -12.407 1.00 0.00 C ATOM 369 C LYS A 24 10.356 26.008 -12.915 1.00 0.00 C ATOM 370 O LYS A 24 11.518 26.040 -12.529 1.00 0.00 O ATOM 371 CB LYS A 24 8.494 25.510 -11.313 1.00 0.00 C ATOM 372 CG LYS A 24 7.351 24.598 -10.891 1.00 0.00 C ATOM 373 CD LYS A 24 6.475 25.277 -9.856 1.00 0.00 C ATOM 374 CE LYS A 24 5.347 24.370 -9.389 1.00 0.00 C ATOM 375 NZ LYS A 24 4.492 25.035 -8.373 1.00 0.00 N ATOM 0 H LYS A 24 10.253 23.771 -10.908 1.00 0.00 H new ATOM 0 HA LYS A 24 8.760 24.618 -13.238 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.107 25.732 -10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.078 26.456 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.752 24.331 -11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.752 23.670 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.084 25.570 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.056 26.191 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.737 24.079 -10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.766 23.455 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.734 24.386 -8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.070 25.290 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.073 25.895 -8.781 1.00 0.00 H new ATOM 389 N PRO A 25 9.876 26.900 -13.782 1.00 0.00 N ATOM 390 CA PRO A 25 10.691 27.967 -14.362 1.00 0.00 C ATOM 391 C PRO A 25 11.138 29.011 -13.332 1.00 0.00 C ATOM 392 O PRO A 25 12.059 29.783 -13.585 1.00 0.00 O ATOM 393 CB PRO A 25 9.778 28.608 -15.420 1.00 0.00 C ATOM 394 CG PRO A 25 8.606 27.693 -15.556 1.00 0.00 C ATOM 395 CD PRO A 25 8.497 26.942 -14.266 1.00 0.00 C ATOM 0 HA PRO A 25 11.619 27.569 -14.773 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.462 29.605 -15.111 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.300 28.719 -16.371 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.695 28.258 -15.754 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.744 27.008 -16.392 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.839 27.449 -13.560 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.093 25.941 -14.417 1.00 0.00 H new ATOM 403 N ASN A 26 10.502 29.016 -12.165 1.00 0.00 N ATOM 404 CA ASN A 26 10.806 29.996 -11.142 1.00 0.00 C ATOM 405 C ASN A 26 11.575 29.344 -10.020 1.00 0.00 C ATOM 406 O ASN A 26 11.788 29.947 -8.957 1.00 0.00 O ATOM 407 CB ASN A 26 9.527 30.648 -10.595 1.00 0.00 C ATOM 408 CG ASN A 26 8.589 29.668 -9.903 1.00 0.00 C ATOM 409 OD1 ASN A 26 8.520 28.491 -10.256 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.868 30.152 -8.910 1.00 0.00 N ATOM 0 H ASN A 26 9.773 28.350 -11.909 1.00 0.00 H new ATOM 0 HA ASN A 26 11.416 30.779 -11.593 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.802 31.433 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.995 31.129 -11.416 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.224 29.544 -8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.955 31.134 -8.648 1.00 0.00 H new ATOM 417 N ALA A 27 11.998 28.113 -10.263 1.00 0.00 N ATOM 418 CA ALA A 27 12.751 27.357 -9.306 1.00 0.00 C ATOM 419 C ALA A 27 14.085 28.007 -9.041 1.00 0.00 C ATOM 420 O ALA A 27 14.662 28.663 -9.914 1.00 0.00 O ATOM 421 CB ALA A 27 12.932 25.957 -9.814 1.00 0.00 C ATOM 0 H ALA A 27 11.822 27.618 -11.137 1.00 0.00 H new ATOM 0 HA ALA A 27 12.206 27.328 -8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.504 25.378 -9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.956 25.494 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.467 25.981 -10.763 1.00 0.00 H new ATOM 427 N THR A 28 14.563 27.840 -7.838 1.00 0.00 N ATOM 428 CA THR A 28 15.804 28.435 -7.430 1.00 0.00 C ATOM 429 C THR A 28 16.956 27.626 -7.887 1.00 0.00 C ATOM 430 O THR A 28 16.800 26.483 -8.300 1.00 0.00 O ATOM 431 CB THR A 28 15.871 28.563 -5.911 1.00 0.00 C ATOM 432 OG1 THR A 28 15.903 27.267 -5.313 1.00 0.00 O ATOM 433 CG2 THR A 28 14.662 29.275 -5.434 1.00 0.00 C ATOM 0 H THR A 28 14.103 27.288 -7.114 1.00 0.00 H new ATOM 0 HA THR A 28 15.852 29.425 -7.884 1.00 0.00 H new ATOM 0 HB THR A 28 16.771 29.113 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.630 27.333 -4.374 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.701 29.371 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.622 30.266 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.773 28.712 -5.717 1.00 0.00 H new ATOM 441 N GLN A 29 18.114 28.219 -7.823 1.00 0.00 N ATOM 442 CA GLN A 29 19.334 27.522 -8.146 1.00 0.00 C ATOM 443 C GLN A 29 19.460 26.285 -7.255 1.00 0.00 C ATOM 444 O GLN A 29 19.950 25.237 -7.676 1.00 0.00 O ATOM 445 CB GLN A 29 20.522 28.445 -7.965 1.00 0.00 C ATOM 446 CG GLN A 29 21.796 27.945 -8.618 1.00 0.00 C ATOM 447 CD GLN A 29 22.954 28.894 -8.424 1.00 0.00 C ATOM 448 OE1 GLN A 29 22.765 30.090 -8.219 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.160 28.381 -8.523 1.00 0.00 N ATOM 0 H GLN A 29 18.243 29.193 -7.548 1.00 0.00 H new ATOM 0 HA GLN A 29 19.311 27.203 -9.188 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.275 29.424 -8.376 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.702 28.584 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.055 26.971 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 29 21.622 27.802 -9.684 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.277 27.382 -8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 29 24.979 28.982 -8.429 1.00 0.00 H new ATOM 458 N GLU A 30 18.977 26.426 -6.024 1.00 0.00 N ATOM 459 CA GLU A 30 18.974 25.347 -5.061 1.00 0.00 C ATOM 460 C GLU A 30 17.972 24.281 -5.495 1.00 0.00 C ATOM 461 O GLU A 30 18.253 23.082 -5.448 1.00 0.00 O ATOM 462 CB GLU A 30 18.572 25.886 -3.689 1.00 0.00 C ATOM 463 CG GLU A 30 18.645 24.859 -2.577 1.00 0.00 C ATOM 464 CD GLU A 30 18.108 25.385 -1.266 1.00 0.00 C ATOM 465 OE1 GLU A 30 16.876 25.322 -1.055 1.00 0.00 O ATOM 466 OE2 GLU A 30 18.904 25.858 -0.435 1.00 0.00 O ATOM 0 H GLU A 30 18.578 27.296 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 30 19.972 24.912 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.219 26.726 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.555 26.273 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.080 23.973 -2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.681 24.547 -2.443 1.00 0.00 H new ATOM 473 N GLU A 31 16.804 24.743 -5.936 1.00 0.00 N ATOM 474 CA GLU A 31 15.738 23.888 -6.370 1.00 0.00 C ATOM 475 C GLU A 31 16.140 23.117 -7.625 1.00 0.00 C ATOM 476 O GLU A 31 15.793 21.948 -7.784 1.00 0.00 O ATOM 477 CB GLU A 31 14.469 24.727 -6.592 1.00 0.00 C ATOM 478 CG GLU A 31 13.246 23.900 -6.908 1.00 0.00 C ATOM 479 CD GLU A 31 11.955 24.554 -6.438 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.356 25.328 -7.203 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.538 24.293 -5.284 1.00 0.00 O ATOM 0 H GLU A 31 16.583 25.737 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 31 15.527 23.147 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.275 25.321 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.645 25.427 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.193 23.734 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.344 22.921 -6.439 1.00 0.00 H new ATOM 488 N LEU A 32 16.889 23.774 -8.494 1.00 0.00 N ATOM 489 CA LEU A 32 17.396 23.145 -9.705 1.00 0.00 C ATOM 490 C LEU A 32 18.309 21.966 -9.365 1.00 0.00 C ATOM 491 O LEU A 32 18.206 20.891 -9.959 1.00 0.00 O ATOM 492 CB LEU A 32 18.155 24.165 -10.544 1.00 0.00 C ATOM 493 CG LEU A 32 17.310 25.075 -11.440 1.00 0.00 C ATOM 494 CD1 LEU A 32 15.862 25.126 -10.984 1.00 0.00 C ATOM 495 CD2 LEU A 32 17.876 26.469 -11.463 1.00 0.00 C ATOM 0 H LEU A 32 17.162 24.751 -8.383 1.00 0.00 H new ATOM 0 HA LEU A 32 16.548 22.769 -10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.738 24.794 -9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.864 23.629 -11.174 1.00 0.00 H new ATOM 0 HG LEU A 32 17.339 24.653 -12.444 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.295 25.782 -11.645 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.435 24.123 -11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.815 25.509 -9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.262 27.101 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.882 26.876 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.895 26.442 -11.849 1.00 0.00 H new ATOM 507 N LYS A 33 19.193 22.178 -8.395 1.00 0.00 N ATOM 508 CA LYS A 33 20.101 21.138 -7.929 1.00 0.00 C ATOM 509 C LYS A 33 19.320 19.987 -7.295 1.00 0.00 C ATOM 510 O LYS A 33 19.590 18.810 -7.556 1.00 0.00 O ATOM 511 CB LYS A 33 21.097 21.717 -6.922 1.00 0.00 C ATOM 512 CG LYS A 33 22.138 20.720 -6.435 1.00 0.00 C ATOM 513 CD LYS A 33 23.075 21.346 -5.410 1.00 0.00 C ATOM 514 CE LYS A 33 23.993 22.390 -6.039 1.00 0.00 C ATOM 515 NZ LYS A 33 24.867 23.036 -5.028 1.00 0.00 N ATOM 0 H LYS A 33 19.299 23.071 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 33 20.651 20.752 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.607 22.565 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.547 22.101 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.639 19.857 -5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.717 20.354 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.488 21.810 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.678 20.566 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.609 21.918 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.391 23.150 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.476 23.739 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.279 23.508 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.459 22.315 -4.569 1.00 0.00 H new ATOM 529 N LYS A 34 18.349 20.345 -6.470 1.00 0.00 N ATOM 530 CA LYS A 34 17.521 19.376 -5.774 1.00 0.00 C ATOM 531 C LYS A 34 16.705 18.523 -6.747 1.00 0.00 C ATOM 532 O LYS A 34 16.515 17.322 -6.519 1.00 0.00 O ATOM 533 CB LYS A 34 16.646 20.080 -4.729 1.00 0.00 C ATOM 534 CG LYS A 34 17.460 20.595 -3.543 1.00 0.00 C ATOM 535 CD LYS A 34 16.615 21.361 -2.536 1.00 0.00 C ATOM 536 CE LYS A 34 17.455 21.769 -1.328 1.00 0.00 C ATOM 537 NZ LYS A 34 16.689 22.572 -0.343 1.00 0.00 N ATOM 0 H LYS A 34 18.114 21.316 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 34 18.173 18.682 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.124 20.914 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.884 19.388 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.938 19.753 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.257 21.242 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.192 22.248 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.778 20.743 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.841 20.874 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.317 22.343 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.210 22.607 0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.561 23.538 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.758 22.135 -0.187 1.00 0.00 H new ATOM 551 N ALA A 35 16.221 19.139 -7.833 1.00 0.00 N ATOM 552 CA ALA A 35 15.501 18.396 -8.872 1.00 0.00 C ATOM 553 C ALA A 35 16.402 17.323 -9.451 1.00 0.00 C ATOM 554 O ALA A 35 16.001 16.164 -9.576 1.00 0.00 O ATOM 555 CB ALA A 35 15.033 19.330 -9.985 1.00 0.00 C ATOM 0 H ALA A 35 16.314 20.139 -8.013 1.00 0.00 H new ATOM 0 HA ALA A 35 14.624 17.933 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.502 18.755 -10.743 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.366 20.086 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.896 19.817 -10.438 1.00 0.00 H new ATOM 561 N TYR A 36 17.637 17.707 -9.769 1.00 0.00 N ATOM 562 CA TYR A 36 18.613 16.776 -10.324 1.00 0.00 C ATOM 563 C TYR A 36 18.865 15.635 -9.371 1.00 0.00 C ATOM 564 O TYR A 36 18.901 14.481 -9.777 1.00 0.00 O ATOM 565 CB TYR A 36 19.932 17.478 -10.635 1.00 0.00 C ATOM 566 CG TYR A 36 21.054 16.516 -10.994 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.093 15.892 -12.229 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.063 16.227 -10.081 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.104 15.003 -12.550 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.076 15.344 -10.395 1.00 0.00 C ATOM 571 CZ TYR A 36 23.094 14.734 -11.628 1.00 0.00 C ATOM 572 OH TYR A 36 24.102 13.846 -11.940 1.00 0.00 O ATOM 0 H TYR A 36 17.984 18.659 -9.651 1.00 0.00 H new ATOM 0 HA TYR A 36 18.197 16.384 -11.252 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.780 18.173 -11.461 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.233 18.071 -9.771 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.321 16.102 -12.955 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.053 16.701 -9.111 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.118 14.523 -13.517 1.00 0.00 H new ATOM 0 HE2 TYR A 36 23.852 15.132 -9.675 1.00 0.00 H new ATOM 0 HH TYR A 36 24.718 13.771 -11.182 1.00 0.00 H new ATOM 582 N ARG A 37 19.035 15.967 -8.107 1.00 0.00 N ATOM 583 CA ARG A 37 19.325 14.977 -7.086 1.00 0.00 C ATOM 584 C ARG A 37 18.220 13.917 -7.041 1.00 0.00 C ATOM 585 O ARG A 37 18.499 12.713 -6.978 1.00 0.00 O ATOM 586 CB ARG A 37 19.469 15.671 -5.725 1.00 0.00 C ATOM 587 CG ARG A 37 19.874 14.755 -4.581 1.00 0.00 C ATOM 588 CD ARG A 37 19.966 15.532 -3.276 1.00 0.00 C ATOM 589 NE ARG A 37 20.511 14.723 -2.186 1.00 0.00 N ATOM 590 CZ ARG A 37 20.393 15.027 -0.892 1.00 0.00 C ATOM 591 NH1 ARG A 37 19.708 16.099 -0.513 1.00 0.00 N ATOM 592 NH2 ARG A 37 20.963 14.254 0.019 1.00 0.00 N ATOM 0 H ARG A 37 18.977 16.924 -7.759 1.00 0.00 H new ATOM 0 HA ARG A 37 20.262 14.476 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.210 16.466 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.521 16.146 -5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.147 13.949 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.835 14.292 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.594 16.411 -3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.975 15.891 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 37 21.014 13.870 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.268 16.696 -1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.622 16.325 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.490 13.430 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.875 14.483 1.009 1.00 0.00 H new ATOM 606 N LYS A 38 16.973 14.371 -7.109 1.00 0.00 N ATOM 607 CA LYS A 38 15.826 13.471 -7.091 1.00 0.00 C ATOM 608 C LYS A 38 15.828 12.546 -8.322 1.00 0.00 C ATOM 609 O LYS A 38 15.675 11.323 -8.207 1.00 0.00 O ATOM 610 CB LYS A 38 14.528 14.289 -7.068 1.00 0.00 C ATOM 611 CG LYS A 38 13.267 13.444 -6.972 1.00 0.00 C ATOM 612 CD LYS A 38 12.016 14.304 -6.999 1.00 0.00 C ATOM 613 CE LYS A 38 10.758 13.456 -6.877 1.00 0.00 C ATOM 614 NZ LYS A 38 9.524 14.279 -6.929 1.00 0.00 N ATOM 0 H LYS A 38 16.731 15.359 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 38 15.891 12.853 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.558 14.976 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.478 14.897 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.240 12.735 -7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.288 12.860 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.051 15.026 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.984 14.874 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.737 12.721 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.784 12.901 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.691 13.662 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.530 14.964 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.485 14.789 -7.835 1.00 0.00 H new ATOM 628 N LEU A 39 16.014 13.144 -9.492 1.00 0.00 N ATOM 629 CA LEU A 39 15.988 12.415 -10.761 1.00 0.00 C ATOM 630 C LEU A 39 17.140 11.451 -10.868 1.00 0.00 C ATOM 631 O LEU A 39 16.987 10.340 -11.373 1.00 0.00 O ATOM 632 CB LEU A 39 16.053 13.374 -11.907 1.00 0.00 C ATOM 633 CG LEU A 39 15.070 14.506 -11.845 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.229 15.406 -13.046 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.639 13.997 -11.724 1.00 0.00 C ATOM 0 H LEU A 39 16.187 14.144 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 39 15.055 11.852 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.060 13.789 -11.957 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.890 12.822 -12.833 1.00 0.00 H new ATOM 0 HG LEU A 39 15.282 15.088 -10.948 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.509 16.222 -12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.240 15.814 -13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.053 14.833 -13.956 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.954 14.844 -11.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.398 13.379 -12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.539 13.404 -10.815 1.00 0.00 H new ATOM 647 N ALA A 40 18.297 11.889 -10.404 1.00 0.00 N ATOM 648 CA ALA A 40 19.507 11.073 -10.448 1.00 0.00 C ATOM 649 C ALA A 40 19.302 9.764 -9.724 1.00 0.00 C ATOM 650 O ALA A 40 19.754 8.713 -10.173 1.00 0.00 O ATOM 651 CB ALA A 40 20.686 11.830 -9.860 1.00 0.00 C ATOM 0 H ALA A 40 18.429 12.811 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 40 19.727 10.852 -11.492 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.578 11.204 -9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.855 12.742 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.472 12.087 -8.823 1.00 0.00 H new ATOM 657 N LEU A 41 18.618 9.835 -8.614 1.00 0.00 N ATOM 658 CA LEU A 41 18.298 8.674 -7.840 1.00 0.00 C ATOM 659 C LEU A 41 17.354 7.740 -8.607 1.00 0.00 C ATOM 660 O LEU A 41 17.467 6.518 -8.520 1.00 0.00 O ATOM 661 CB LEU A 41 17.671 9.100 -6.523 1.00 0.00 C ATOM 662 CG LEU A 41 18.591 9.870 -5.571 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.826 10.323 -4.347 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.789 9.022 -5.172 1.00 0.00 C ATOM 0 H LEU A 41 18.266 10.708 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 41 19.217 8.123 -7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.801 9.720 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.309 8.210 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 41 18.961 10.753 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.495 10.868 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.006 10.974 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.425 9.454 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.428 9.590 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.444 8.118 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.355 8.750 -6.063 1.00 0.00 H new ATOM 676 N LYS A 42 16.408 8.324 -9.336 1.00 0.00 N ATOM 677 CA LYS A 42 15.434 7.555 -10.078 1.00 0.00 C ATOM 678 C LYS A 42 16.014 6.917 -11.354 1.00 0.00 C ATOM 679 O LYS A 42 15.860 5.717 -11.587 1.00 0.00 O ATOM 680 CB LYS A 42 14.276 8.443 -10.456 1.00 0.00 C ATOM 681 CG LYS A 42 13.588 9.078 -9.278 1.00 0.00 C ATOM 682 CD LYS A 42 13.089 8.049 -8.281 1.00 0.00 C ATOM 683 CE LYS A 42 12.398 8.726 -7.113 1.00 0.00 C ATOM 684 NZ LYS A 42 11.949 7.754 -6.090 1.00 0.00 N ATOM 0 H LYS A 42 16.301 9.335 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 42 15.110 6.743 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.634 9.228 -11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.548 7.856 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.279 9.759 -8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.748 9.677 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.397 7.365 -8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.925 7.451 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.080 9.443 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.539 9.290 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.483 8.261 -5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.278 7.084 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.770 7.233 -5.722 1.00 0.00 H new ATOM 698 N TYR A 43 16.693 7.722 -12.159 1.00 0.00 N ATOM 699 CA TYR A 43 17.202 7.272 -13.474 1.00 0.00 C ATOM 700 C TYR A 43 18.703 7.061 -13.470 1.00 0.00 C ATOM 701 O TYR A 43 19.353 7.242 -14.494 1.00 0.00 O ATOM 702 CB TYR A 43 16.816 8.272 -14.584 1.00 0.00 C ATOM 703 CG TYR A 43 15.324 8.449 -14.757 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.596 7.584 -15.561 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.644 9.478 -14.118 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.236 7.734 -15.726 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.280 9.634 -14.275 1.00 0.00 C ATOM 708 CZ TYR A 43 12.583 8.759 -15.080 1.00 0.00 C ATOM 709 OH TYR A 43 11.224 8.908 -15.238 1.00 0.00 O ATOM 0 H TYR A 43 16.911 8.693 -11.936 1.00 0.00 H new ATOM 0 HA TYR A 43 16.733 6.309 -13.677 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.263 9.240 -14.359 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.244 7.935 -15.528 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.105 6.777 -16.068 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.189 10.166 -13.489 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.686 7.052 -16.358 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.763 10.437 -13.770 1.00 0.00 H new ATOM 0 HH TYR A 43 10.916 9.678 -14.715 1.00 0.00 H new ATOM 719 N HIS A 44 19.250 6.685 -12.316 1.00 0.00 N ATOM 720 CA HIS A 44 20.675 6.384 -12.179 1.00 0.00 C ATOM 721 C HIS A 44 21.191 5.484 -13.323 1.00 0.00 C ATOM 722 O HIS A 44 20.892 4.288 -13.368 1.00 0.00 O ATOM 723 CB HIS A 44 20.956 5.733 -10.808 1.00 0.00 C ATOM 724 CG HIS A 44 19.923 4.716 -10.345 1.00 0.00 C ATOM 725 ND1 HIS A 44 19.091 3.893 -11.035 1.00 0.00 N flip ATOM 726 CD2 HIS A 44 19.661 4.475 -9.014 1.00 0.00 C flip ATOM 727 CE1 HIS A 44 18.354 3.189 -10.119 1.00 0.00 C flip ATOM 728 NE2 HIS A 44 18.716 3.557 -8.908 1.00 0.00 N flip ATOM 0 H HIS A 44 18.720 6.580 -11.451 1.00 0.00 H new ATOM 0 HA HIS A 44 21.216 7.328 -12.243 1.00 0.00 H new ATOM 0 HB2 HIS A 44 21.929 5.244 -10.850 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.027 6.521 -10.058 1.00 0.00 H new ATOM 0 HD2 HIS A 44 20.152 4.962 -8.184 1.00 0.00 H new ATOM 0 HE1 HIS A 44 17.599 2.452 -10.352 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.332 3.195 -8.035 1.00 0.00 H new ATOM 736 N PRO A 45 21.993 6.055 -14.252 1.00 0.00 N ATOM 737 CA PRO A 45 22.511 5.326 -15.417 1.00 0.00 C ATOM 738 C PRO A 45 23.500 4.251 -15.019 1.00 0.00 C ATOM 739 O PRO A 45 23.808 3.352 -15.799 1.00 0.00 O ATOM 740 CB PRO A 45 23.192 6.407 -16.249 1.00 0.00 C ATOM 741 CG PRO A 45 23.542 7.458 -15.274 1.00 0.00 C ATOM 742 CD PRO A 45 22.461 7.449 -14.234 1.00 0.00 C ATOM 0 HA PRO A 45 21.721 4.803 -15.956 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.079 6.021 -16.752 1.00 0.00 H new ATOM 0 HB3 PRO A 45 22.527 6.790 -17.023 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.515 7.262 -14.824 1.00 0.00 H new ATOM 0 HG3 PRO A 45 23.606 8.432 -15.759 1.00 0.00 H new ATOM 0 HD2 PRO A 45 22.843 7.734 -13.253 1.00 0.00 H new ATOM 0 HD3 PRO A 45 21.660 8.146 -14.479 1.00 0.00 H new ATOM 750 N ASP A 46 24.004 4.361 -13.804 1.00 0.00 N ATOM 751 CA ASP A 46 24.919 3.380 -13.258 1.00 0.00 C ATOM 752 C ASP A 46 24.213 2.039 -13.097 1.00 0.00 C ATOM 753 O ASP A 46 24.807 0.979 -13.298 1.00 0.00 O ATOM 754 CB ASP A 46 25.465 3.856 -11.910 1.00 0.00 C ATOM 755 CG ASP A 46 26.482 2.898 -11.323 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.657 2.945 -11.742 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.116 2.102 -10.434 1.00 0.00 O ATOM 0 H ASP A 46 23.790 5.131 -13.170 1.00 0.00 H new ATOM 0 HA ASP A 46 25.754 3.257 -13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 46 25.924 4.837 -12.034 1.00 0.00 H new ATOM 0 HB3 ASP A 46 24.639 3.977 -11.210 1.00 0.00 H new ATOM 762 N LYS A 47 22.929 2.095 -12.751 1.00 0.00 N ATOM 763 CA LYS A 47 22.147 0.884 -12.558 1.00 0.00 C ATOM 764 C LYS A 47 21.226 0.643 -13.760 1.00 0.00 C ATOM 765 O LYS A 47 20.880 -0.498 -14.069 1.00 0.00 O ATOM 766 CB LYS A 47 21.318 0.983 -11.271 1.00 0.00 C ATOM 767 CG LYS A 47 20.754 -0.351 -10.798 1.00 0.00 C ATOM 768 CD LYS A 47 20.007 -0.205 -9.484 1.00 0.00 C ATOM 769 CE LYS A 47 19.485 -1.545 -8.987 1.00 0.00 C ATOM 770 NZ LYS A 47 20.591 -2.469 -8.622 1.00 0.00 N ATOM 0 H LYS A 47 22.414 2.962 -12.600 1.00 0.00 H new ATOM 0 HA LYS A 47 22.834 0.042 -12.470 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.940 1.404 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.494 1.678 -11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.082 -0.753 -11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.566 -1.069 -10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.669 0.229 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.174 0.486 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.844 -1.386 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.868 -2.004 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.206 -3.284 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 21.065 -2.802 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 21.277 -1.969 -8.021 1.00 0.00 H new ATOM 784 N ASN A 48 20.843 1.720 -14.439 1.00 0.00 N ATOM 785 CA ASN A 48 19.989 1.617 -15.618 1.00 0.00 C ATOM 786 C ASN A 48 20.584 2.377 -16.781 1.00 0.00 C ATOM 787 O ASN A 48 20.341 3.571 -16.953 1.00 0.00 O ATOM 788 CB ASN A 48 18.564 2.116 -15.351 1.00 0.00 C ATOM 789 CG ASN A 48 17.832 1.295 -14.302 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.163 0.244 -14.741 1.00 0.00 O flip ATOM 791 ND2 ASN A 48 17.871 1.600 -13.103 1.00 0.00 N flip ATOM 0 H ASN A 48 21.110 2.673 -14.194 1.00 0.00 H new ATOM 0 HA ASN A 48 19.931 0.558 -15.868 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.604 3.156 -15.027 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.997 2.094 -16.282 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.399 2.419 -12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.376 1.032 -12.416 1.00 0.00 H new ATOM 798 N PRO A 49 21.398 1.693 -17.582 1.00 0.00 N ATOM 799 CA PRO A 49 22.029 2.260 -18.750 1.00 0.00 C ATOM 800 C PRO A 49 21.012 2.693 -19.803 1.00 0.00 C ATOM 801 O PRO A 49 21.263 3.607 -20.584 1.00 0.00 O ATOM 802 CB PRO A 49 22.887 1.119 -19.276 1.00 0.00 C ATOM 803 CG PRO A 49 22.289 -0.085 -18.711 1.00 0.00 C ATOM 804 CD PRO A 49 21.772 0.313 -17.391 1.00 0.00 C ATOM 0 HA PRO A 49 22.595 3.161 -18.513 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.882 1.090 -20.366 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.926 1.229 -18.965 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.489 -0.462 -19.348 1.00 0.00 H new ATOM 0 HG3 PRO A 49 23.026 -0.883 -18.619 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.919 -0.297 -17.093 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.529 0.205 -16.614 1.00 0.00 H new ATOM 812 N ASN A 50 19.853 2.036 -19.798 1.00 0.00 N ATOM 813 CA ASN A 50 18.772 2.366 -20.731 1.00 0.00 C ATOM 814 C ASN A 50 18.241 3.758 -20.466 1.00 0.00 C ATOM 815 O ASN A 50 17.849 4.473 -21.393 1.00 0.00 O ATOM 816 CB ASN A 50 17.620 1.347 -20.663 1.00 0.00 C ATOM 817 CG ASN A 50 17.989 -0.010 -21.234 1.00 0.00 C ATOM 818 OD1 ASN A 50 18.841 -0.116 -22.122 1.00 0.00 O ATOM 819 ND2 ASN A 50 17.345 -1.052 -20.743 1.00 0.00 N ATOM 0 H ASN A 50 19.637 1.271 -19.159 1.00 0.00 H new ATOM 0 HA ASN A 50 19.196 2.328 -21.734 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.311 1.226 -19.625 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.762 1.742 -21.207 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.544 -1.988 -21.097 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.648 -0.922 -20.010 1.00 0.00 H new ATOM 826 N GLU A 51 18.259 4.161 -19.202 1.00 0.00 N ATOM 827 CA GLU A 51 17.735 5.462 -18.829 1.00 0.00 C ATOM 828 C GLU A 51 18.812 6.534 -18.975 1.00 0.00 C ATOM 829 O GLU A 51 18.557 7.723 -18.774 1.00 0.00 O ATOM 830 CB GLU A 51 17.190 5.458 -17.396 1.00 0.00 C ATOM 831 CG GLU A 51 16.080 4.435 -17.141 1.00 0.00 C ATOM 832 CD GLU A 51 15.005 4.445 -18.203 1.00 0.00 C ATOM 833 OE1 GLU A 51 14.365 5.492 -18.404 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.787 3.384 -18.836 1.00 0.00 O ATOM 0 H GLU A 51 18.628 3.610 -18.427 1.00 0.00 H new ATOM 0 HA GLU A 51 16.910 5.690 -19.504 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.013 5.261 -16.709 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.810 6.453 -17.162 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.519 3.439 -17.087 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.625 4.636 -16.171 1.00 0.00 H new ATOM 841 N GLY A 52 20.018 6.102 -19.356 1.00 0.00 N ATOM 842 CA GLY A 52 21.122 7.019 -19.542 1.00 0.00 C ATOM 843 C GLY A 52 20.870 8.000 -20.668 1.00 0.00 C ATOM 844 O GLY A 52 21.417 9.099 -20.669 1.00 0.00 O ATOM 0 H GLY A 52 20.244 5.124 -19.539 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.295 7.568 -18.617 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.030 6.454 -19.752 1.00 0.00 H new ATOM 848 N GLU A 53 20.035 7.597 -21.624 1.00 0.00 N ATOM 849 CA GLU A 53 19.666 8.461 -22.741 1.00 0.00 C ATOM 850 C GLU A 53 18.997 9.721 -22.205 1.00 0.00 C ATOM 851 O GLU A 53 19.354 10.840 -22.569 1.00 0.00 O ATOM 852 CB GLU A 53 18.689 7.725 -23.662 1.00 0.00 C ATOM 853 CG GLU A 53 18.267 8.523 -24.882 1.00 0.00 C ATOM 854 CD GLU A 53 17.152 7.858 -25.648 1.00 0.00 C ATOM 855 OE1 GLU A 53 17.297 6.676 -26.017 1.00 0.00 O ATOM 856 OE2 GLU A 53 16.118 8.521 -25.886 1.00 0.00 O ATOM 0 H GLU A 53 19.601 6.674 -21.646 1.00 0.00 H new ATOM 0 HA GLU A 53 20.562 8.728 -23.301 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.149 6.793 -23.992 1.00 0.00 H new ATOM 0 HB3 GLU A 53 17.800 7.457 -23.091 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.947 9.517 -24.569 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.126 8.657 -25.540 1.00 0.00 H new ATOM 863 N LYS A 54 18.038 9.519 -21.317 1.00 0.00 N ATOM 864 CA LYS A 54 17.337 10.598 -20.687 1.00 0.00 C ATOM 865 C LYS A 54 18.254 11.355 -19.749 1.00 0.00 C ATOM 866 O LYS A 54 18.123 12.559 -19.561 1.00 0.00 O ATOM 867 CB LYS A 54 16.115 10.090 -19.953 1.00 0.00 C ATOM 868 CG LYS A 54 14.998 9.624 -20.873 1.00 0.00 C ATOM 869 CD LYS A 54 13.770 9.270 -20.086 1.00 0.00 C ATOM 870 CE LYS A 54 12.671 8.720 -20.982 1.00 0.00 C ATOM 871 NZ LYS A 54 12.325 9.659 -22.083 1.00 0.00 N ATOM 0 H LYS A 54 17.731 8.593 -21.019 1.00 0.00 H new ATOM 0 HA LYS A 54 17.002 11.286 -21.463 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.409 9.264 -19.306 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.735 10.882 -19.307 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.761 10.409 -21.591 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.330 8.758 -21.446 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.024 8.531 -19.326 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.405 10.154 -19.562 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.991 7.768 -21.405 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.782 8.520 -20.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.456 9.337 -22.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.175 10.611 -21.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.103 9.686 -22.773 1.00 0.00 H new ATOM 885 N PHE A 55 19.185 10.629 -19.158 1.00 0.00 N ATOM 886 CA PHE A 55 20.122 11.196 -18.209 1.00 0.00 C ATOM 887 C PHE A 55 21.051 12.209 -18.877 1.00 0.00 C ATOM 888 O PHE A 55 21.506 13.156 -18.235 1.00 0.00 O ATOM 889 CB PHE A 55 20.937 10.091 -17.532 1.00 0.00 C ATOM 890 CG PHE A 55 21.664 10.546 -16.299 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.994 10.658 -15.092 1.00 0.00 C ATOM 892 CD2 PHE A 55 23.016 10.859 -16.342 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.650 11.072 -13.953 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.680 11.276 -15.204 1.00 0.00 C ATOM 895 CZ PHE A 55 22.996 11.380 -14.008 1.00 0.00 C ATOM 0 H PHE A 55 19.312 9.630 -19.323 1.00 0.00 H new ATOM 0 HA PHE A 55 19.545 11.723 -17.449 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.270 9.270 -17.268 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.661 9.697 -18.245 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.942 10.417 -15.043 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.554 10.776 -17.275 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.113 11.156 -13.019 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.731 11.520 -15.249 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.513 11.702 -13.116 1.00 0.00 H new ATOM 905 N LYS A 56 21.335 12.007 -20.166 1.00 0.00 N ATOM 906 CA LYS A 56 22.185 12.939 -20.915 1.00 0.00 C ATOM 907 C LYS A 56 21.528 14.314 -20.898 1.00 0.00 C ATOM 908 O LYS A 56 22.181 15.335 -20.681 1.00 0.00 O ATOM 909 CB LYS A 56 22.340 12.476 -22.371 1.00 0.00 C ATOM 910 CG LYS A 56 22.968 11.096 -22.546 1.00 0.00 C ATOM 911 CD LYS A 56 24.408 11.045 -22.061 1.00 0.00 C ATOM 912 CE LYS A 56 24.996 9.654 -22.262 1.00 0.00 C ATOM 913 NZ LYS A 56 26.415 9.576 -21.834 1.00 0.00 N ATOM 0 H LYS A 56 20.993 11.215 -20.710 1.00 0.00 H new ATOM 0 HA LYS A 56 23.171 12.976 -20.453 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.357 12.474 -22.842 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.948 13.206 -22.906 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.378 10.360 -22.000 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.933 10.815 -23.599 1.00 0.00 H new ATOM 0 HD2 LYS A 56 25.005 11.779 -22.602 1.00 0.00 H new ATOM 0 HD3 LYS A 56 24.451 11.314 -21.006 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.408 8.929 -21.699 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.920 9.378 -23.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.772 8.612 -21.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 26.982 10.249 -22.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 26.486 9.813 -20.824 1.00 0.00 H new ATOM 927 N GLN A 57 20.219 14.301 -21.097 1.00 0.00 N ATOM 928 CA GLN A 57 19.389 15.472 -21.078 1.00 0.00 C ATOM 929 C GLN A 57 19.472 16.155 -19.725 1.00 0.00 C ATOM 930 O GLN A 57 19.681 17.369 -19.629 1.00 0.00 O ATOM 931 CB GLN A 57 17.970 15.003 -21.306 1.00 0.00 C ATOM 932 CG GLN A 57 17.760 14.401 -22.668 1.00 0.00 C ATOM 933 CD GLN A 57 16.418 13.712 -22.837 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.442 14.031 -22.160 1.00 0.00 O ATOM 935 NE2 GLN A 57 16.368 12.750 -23.743 1.00 0.00 N ATOM 0 H GLN A 57 19.699 13.443 -21.281 1.00 0.00 H new ATOM 0 HA GLN A 57 19.710 16.181 -21.841 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.710 14.266 -20.546 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.290 15.846 -21.179 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.851 15.186 -23.419 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.554 13.680 -22.862 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.200 12.515 -24.284 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.497 12.243 -23.901 1.00 0.00 H new ATOM 944 N ILE A 58 19.324 15.352 -18.686 1.00 0.00 N ATOM 945 CA ILE A 58 19.333 15.841 -17.325 1.00 0.00 C ATOM 946 C ILE A 58 20.671 16.462 -16.962 1.00 0.00 C ATOM 947 O ILE A 58 20.721 17.557 -16.412 1.00 0.00 O ATOM 948 CB ILE A 58 19.024 14.698 -16.326 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.652 14.098 -16.590 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.101 15.194 -14.916 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.352 12.862 -15.763 1.00 0.00 C ATOM 0 H ILE A 58 19.194 14.343 -18.766 1.00 0.00 H new ATOM 0 HA ILE A 58 18.559 16.606 -17.259 1.00 0.00 H new ATOM 0 HB ILE A 58 19.775 13.921 -16.468 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.891 14.852 -16.387 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.575 13.843 -17.647 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.881 14.376 -14.230 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.103 15.574 -14.718 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.375 15.994 -14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.356 12.493 -16.008 1.00 0.00 H new ATOM 0 HD12 ILE A 58 18.089 12.090 -15.982 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.395 13.114 -14.703 1.00 0.00 H new ATOM 963 N SER A 59 21.746 15.777 -17.300 1.00 0.00 N ATOM 964 CA SER A 59 23.077 16.222 -16.943 1.00 0.00 C ATOM 965 C SER A 59 23.418 17.589 -17.569 1.00 0.00 C ATOM 966 O SER A 59 23.965 18.467 -16.896 1.00 0.00 O ATOM 967 CB SER A 59 24.116 15.164 -17.337 1.00 0.00 C ATOM 968 OG SER A 59 25.420 15.536 -16.925 1.00 0.00 O ATOM 0 H SER A 59 21.722 14.903 -17.826 1.00 0.00 H new ATOM 0 HA SER A 59 23.102 16.353 -15.861 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.851 14.207 -16.887 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.101 15.023 -18.418 1.00 0.00 H new ATOM 0 HG SER A 59 26.058 14.840 -17.190 1.00 0.00 H new ATOM 974 N GLN A 60 23.085 17.765 -18.848 1.00 0.00 N ATOM 975 CA GLN A 60 23.370 18.995 -19.549 1.00 0.00 C ATOM 976 C GLN A 60 22.567 20.149 -18.987 1.00 0.00 C ATOM 977 O GLN A 60 23.119 21.209 -18.666 1.00 0.00 O ATOM 978 CB GLN A 60 23.065 18.815 -21.014 1.00 0.00 C ATOM 979 CG GLN A 60 23.916 17.762 -21.694 1.00 0.00 C ATOM 980 CD GLN A 60 23.616 17.625 -23.177 1.00 0.00 C ATOM 981 OE1 GLN A 60 22.721 16.884 -23.582 1.00 0.00 O ATOM 982 NE2 GLN A 60 24.367 18.341 -23.997 1.00 0.00 N ATOM 0 H GLN A 60 22.614 17.059 -19.414 1.00 0.00 H new ATOM 0 HA GLN A 60 24.426 19.232 -19.418 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.014 18.547 -21.126 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.207 19.768 -21.524 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.969 18.013 -21.563 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.755 16.801 -21.206 1.00 0.00 H new ATOM 0 HE21 GLN A 60 25.099 18.944 -23.622 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.214 18.290 -25.004 1.00 0.00 H new ATOM 991 N ALA A 61 21.271 19.941 -18.861 1.00 0.00 N ATOM 992 CA ALA A 61 20.393 20.967 -18.324 1.00 0.00 C ATOM 993 C ALA A 61 20.784 21.304 -16.898 1.00 0.00 C ATOM 994 O ALA A 61 20.822 22.466 -16.528 1.00 0.00 O ATOM 995 CB ALA A 61 18.949 20.528 -18.412 1.00 0.00 C ATOM 0 H ALA A 61 20.802 19.074 -19.122 1.00 0.00 H new ATOM 0 HA ALA A 61 20.502 21.871 -18.923 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.306 21.309 -18.005 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.686 20.348 -19.454 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.812 19.610 -17.840 1.00 0.00 H new ATOM 1001 N TYR A 62 21.106 20.284 -16.111 1.00 0.00 N ATOM 1002 CA TYR A 62 21.585 20.490 -14.752 1.00 0.00 C ATOM 1003 C TYR A 62 22.833 21.359 -14.738 1.00 0.00 C ATOM 1004 O TYR A 62 22.978 22.228 -13.884 1.00 0.00 O ATOM 1005 CB TYR A 62 21.884 19.145 -14.075 1.00 0.00 C ATOM 1006 CG TYR A 62 22.687 19.262 -12.787 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.129 19.790 -11.629 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.011 18.834 -12.740 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.870 19.888 -10.463 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.753 18.930 -11.583 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.182 19.456 -10.447 1.00 0.00 C ATOM 1012 OH TYR A 62 24.925 19.550 -9.289 1.00 0.00 O ATOM 0 H TYR A 62 21.044 19.306 -16.392 1.00 0.00 H new ATOM 0 HA TYR A 62 20.798 21.002 -14.198 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.942 18.642 -13.858 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.430 18.512 -14.774 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.103 20.129 -11.638 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.465 18.419 -13.628 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.424 20.300 -9.570 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.779 18.594 -11.568 1.00 0.00 H new ATOM 0 HH TYR A 62 25.827 19.201 -9.450 1.00 0.00 H new ATOM 1022 N GLU A 63 23.719 21.129 -15.697 1.00 0.00 N ATOM 1023 CA GLU A 63 24.975 21.850 -15.763 1.00 0.00 C ATOM 1024 C GLU A 63 24.754 23.360 -15.823 1.00 0.00 C ATOM 1025 O GLU A 63 25.403 24.123 -15.104 1.00 0.00 O ATOM 1026 CB GLU A 63 25.793 21.367 -16.949 1.00 0.00 C ATOM 1027 CG GLU A 63 27.225 21.843 -16.932 1.00 0.00 C ATOM 1028 CD GLU A 63 27.977 21.352 -15.717 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.396 20.177 -15.708 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.153 22.141 -14.763 1.00 0.00 O ATOM 0 H GLU A 63 23.587 20.445 -16.442 1.00 0.00 H new ATOM 0 HA GLU A 63 25.533 21.645 -14.849 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.782 20.277 -16.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 25.318 21.706 -17.869 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.731 21.498 -17.834 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.244 22.933 -16.953 1.00 0.00 H new ATOM 1037 N VAL A 64 23.858 23.780 -16.675 1.00 0.00 N ATOM 1038 CA VAL A 64 23.512 25.183 -16.791 1.00 0.00 C ATOM 1039 C VAL A 64 22.538 25.645 -15.677 1.00 0.00 C ATOM 1040 O VAL A 64 22.673 26.734 -15.162 1.00 0.00 O ATOM 1041 CB VAL A 64 22.983 25.503 -18.218 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.489 24.245 -18.898 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.882 26.534 -18.176 1.00 0.00 C ATOM 0 H VAL A 64 23.345 23.167 -17.309 1.00 0.00 H new ATOM 0 HA VAL A 64 24.423 25.762 -16.642 1.00 0.00 H new ATOM 0 HB VAL A 64 23.813 25.913 -18.793 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.123 24.490 -19.895 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.307 23.529 -18.978 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.680 23.808 -18.312 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.534 26.736 -19.189 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.054 26.158 -17.576 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.262 27.454 -17.733 1.00 0.00 H new ATOM 1053 N LEU A 65 21.582 24.794 -15.308 1.00 0.00 N ATOM 1054 CA LEU A 65 20.595 25.128 -14.261 1.00 0.00 C ATOM 1055 C LEU A 65 21.248 25.337 -12.893 1.00 0.00 C ATOM 1056 O LEU A 65 20.891 26.257 -12.164 1.00 0.00 O ATOM 1057 CB LEU A 65 19.471 24.075 -14.195 1.00 0.00 C ATOM 1058 CG LEU A 65 18.235 24.333 -15.104 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.631 24.665 -16.538 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.298 23.135 -15.085 1.00 0.00 C ATOM 0 H LEU A 65 21.463 23.866 -15.714 1.00 0.00 H new ATOM 0 HA LEU A 65 20.144 26.080 -14.542 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.894 23.105 -14.458 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.128 24.004 -13.163 1.00 0.00 H new ATOM 0 HG LEU A 65 17.717 25.202 -14.698 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.734 24.837 -17.133 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.249 25.563 -16.546 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.194 23.833 -16.962 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.440 23.334 -15.726 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.826 22.254 -15.449 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.956 22.957 -14.066 1.00 0.00 H new ATOM 1072 N SER A 66 22.211 24.490 -12.558 1.00 0.00 N ATOM 1073 CA SER A 66 22.897 24.582 -11.273 1.00 0.00 C ATOM 1074 C SER A 66 23.844 25.791 -11.234 1.00 0.00 C ATOM 1075 O SER A 66 24.360 26.152 -10.171 1.00 0.00 O ATOM 1076 CB SER A 66 23.667 23.289 -10.980 1.00 0.00 C ATOM 1077 OG SER A 66 24.203 23.290 -9.663 1.00 0.00 O ATOM 0 H SER A 66 22.536 23.731 -13.157 1.00 0.00 H new ATOM 0 HA SER A 66 22.141 24.721 -10.500 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.004 22.433 -11.104 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.475 23.173 -11.703 1.00 0.00 H new ATOM 0 HG SER A 66 24.457 24.203 -9.414 1.00 0.00 H new ATOM 1083 N ASP A 67 24.084 26.393 -12.389 1.00 0.00 N ATOM 1084 CA ASP A 67 24.942 27.565 -12.483 1.00 0.00 C ATOM 1085 C ASP A 67 24.121 28.773 -12.914 1.00 0.00 C ATOM 1086 O ASP A 67 23.724 28.877 -14.067 1.00 0.00 O ATOM 1087 CB ASP A 67 26.083 27.324 -13.474 1.00 0.00 C ATOM 1088 CG ASP A 67 27.135 28.411 -13.420 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.919 29.480 -14.005 1.00 0.00 O ATOM 1090 OD2 ASP A 67 28.190 28.194 -12.786 1.00 0.00 O ATOM 0 H ASP A 67 23.694 26.087 -13.280 1.00 0.00 H new ATOM 0 HA ASP A 67 25.376 27.757 -11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.548 26.361 -13.261 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.677 27.265 -14.484 1.00 0.00 H new ATOM 1095 N ALA A 68 23.879 29.689 -11.984 1.00 0.00 N ATOM 1096 CA ALA A 68 23.052 30.873 -12.252 1.00 0.00 C ATOM 1097 C ALA A 68 23.539 31.659 -13.473 1.00 0.00 C ATOM 1098 O ALA A 68 22.736 32.221 -14.213 1.00 0.00 O ATOM 1099 CB ALA A 68 22.999 31.774 -11.027 1.00 0.00 C ATOM 0 H ALA A 68 24.243 29.640 -11.032 1.00 0.00 H new ATOM 0 HA ALA A 68 22.047 30.517 -12.478 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.382 32.646 -11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.569 31.224 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.007 32.098 -10.769 1.00 0.00 H new ATOM 1105 N LYS A 69 24.847 31.682 -13.678 1.00 0.00 N ATOM 1106 CA LYS A 69 25.433 32.417 -14.788 1.00 0.00 C ATOM 1107 C LYS A 69 25.013 31.802 -16.116 1.00 0.00 C ATOM 1108 O LYS A 69 24.497 32.493 -16.996 1.00 0.00 O ATOM 1109 CB LYS A 69 26.958 32.409 -14.663 1.00 0.00 C ATOM 1110 CG LYS A 69 27.700 33.118 -15.779 1.00 0.00 C ATOM 1111 CD LYS A 69 29.200 33.008 -15.568 1.00 0.00 C ATOM 1112 CE LYS A 69 29.973 33.710 -16.666 1.00 0.00 C ATOM 1113 NZ LYS A 69 31.438 33.596 -16.467 1.00 0.00 N ATOM 0 H LYS A 69 25.524 31.199 -13.088 1.00 0.00 H new ATOM 0 HA LYS A 69 25.075 33.446 -14.757 1.00 0.00 H new ATOM 0 HB2 LYS A 69 27.231 32.872 -13.715 1.00 0.00 H new ATOM 0 HB3 LYS A 69 27.298 31.374 -14.622 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.428 32.682 -16.740 1.00 0.00 H new ATOM 0 HG3 LYS A 69 27.406 34.167 -15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 69 29.464 33.440 -14.603 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.487 31.957 -15.536 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.703 33.282 -17.631 1.00 0.00 H new ATOM 0 HE3 LYS A 69 29.691 34.762 -16.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.932 34.089 -17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 31.699 34.027 -15.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.711 32.593 -16.466 1.00 0.00 H new ATOM 1127 N LYS A 70 25.205 30.497 -16.241 1.00 0.00 N ATOM 1128 CA LYS A 70 24.853 29.792 -17.450 1.00 0.00 C ATOM 1129 C LYS A 70 23.352 29.779 -17.651 1.00 0.00 C ATOM 1130 O LYS A 70 22.866 29.941 -18.770 1.00 0.00 O ATOM 1131 CB LYS A 70 25.428 28.390 -17.423 1.00 0.00 C ATOM 1132 CG LYS A 70 26.951 28.395 -17.445 1.00 0.00 C ATOM 1133 CD LYS A 70 27.539 27.009 -17.279 1.00 0.00 C ATOM 1134 CE LYS A 70 27.186 26.103 -18.441 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.905 24.811 -18.357 1.00 0.00 N ATOM 0 H LYS A 70 25.606 29.908 -15.511 1.00 0.00 H new ATOM 0 HA LYS A 70 25.286 30.316 -18.302 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.080 27.873 -16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.055 27.829 -18.280 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.296 28.822 -18.387 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.320 29.041 -16.648 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.623 27.082 -17.192 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.174 26.568 -16.351 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.111 25.923 -18.450 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.434 26.599 -19.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.253 24.035 -18.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.698 24.810 -19.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.270 24.679 -17.392 1.00 0.00 H new ATOM 1149 N ARG A 71 22.620 29.603 -16.557 1.00 0.00 N ATOM 1150 CA ARG A 71 21.164 29.604 -16.592 1.00 0.00 C ATOM 1151 C ARG A 71 20.645 30.903 -17.181 1.00 0.00 C ATOM 1152 O ARG A 71 19.738 30.905 -18.008 1.00 0.00 O ATOM 1153 CB ARG A 71 20.587 29.428 -15.186 1.00 0.00 C ATOM 1154 CG ARG A 71 19.069 29.389 -15.170 1.00 0.00 C ATOM 1155 CD ARG A 71 18.513 29.282 -13.768 1.00 0.00 C ATOM 1156 NE ARG A 71 17.052 29.342 -13.775 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.297 29.580 -12.706 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.859 29.745 -11.517 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.981 29.664 -12.828 1.00 0.00 N ATOM 0 H ARG A 71 23.016 29.457 -15.628 1.00 0.00 H new ATOM 0 HA ARG A 71 20.848 28.769 -17.218 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.974 28.505 -14.753 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.931 30.246 -14.553 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.680 30.289 -15.645 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.723 28.541 -15.761 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.839 28.346 -13.314 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.910 30.090 -13.153 1.00 0.00 H new ATOM 0 HE ARG A 71 16.577 29.190 -14.665 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.873 29.690 -11.420 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.278 29.927 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.545 29.546 -13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.403 29.847 -12.007 1.00 0.00 H new ATOM 1173 N GLU A 72 21.265 31.992 -16.783 1.00 0.00 N ATOM 1174 CA GLU A 72 20.856 33.300 -17.177 1.00 0.00 C ATOM 1175 C GLU A 72 21.016 33.462 -18.678 1.00 0.00 C ATOM 1176 O GLU A 72 20.125 33.982 -19.368 1.00 0.00 O ATOM 1177 CB GLU A 72 21.726 34.311 -16.437 1.00 0.00 C ATOM 1178 CG GLU A 72 21.464 35.742 -16.787 1.00 0.00 C ATOM 1179 CD GLU A 72 20.119 36.232 -16.305 1.00 0.00 C ATOM 1180 OE1 GLU A 72 19.920 36.326 -15.078 1.00 0.00 O ATOM 1181 OE2 GLU A 72 19.259 36.541 -17.151 1.00 0.00 O ATOM 0 H GLU A 72 22.078 31.982 -16.168 1.00 0.00 H new ATOM 0 HA GLU A 72 19.807 33.461 -16.929 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.577 34.181 -15.365 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.773 34.087 -16.643 1.00 0.00 H new ATOM 0 HG2 GLU A 72 22.247 36.365 -16.355 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.522 35.862 -17.869 1.00 0.00 H new ATOM 1188 N LEU A 73 22.139 32.986 -19.181 1.00 0.00 N ATOM 1189 CA LEU A 73 22.455 33.098 -20.572 1.00 0.00 C ATOM 1190 C LEU A 73 21.486 32.270 -21.404 1.00 0.00 C ATOM 1191 O LEU A 73 20.962 32.736 -22.412 1.00 0.00 O ATOM 1192 CB LEU A 73 23.874 32.601 -20.796 1.00 0.00 C ATOM 1193 CG LEU A 73 24.930 33.173 -19.849 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.318 32.717 -20.243 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.839 34.688 -19.768 1.00 0.00 C ATOM 0 H LEU A 73 22.852 32.512 -18.627 1.00 0.00 H new ATOM 0 HA LEU A 73 22.371 34.141 -20.878 1.00 0.00 H new ATOM 0 HB2 LEU A 73 23.879 31.515 -20.704 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.165 32.835 -21.820 1.00 0.00 H new ATOM 0 HG LEU A 73 24.728 32.785 -18.851 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.049 33.138 -19.553 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.368 31.629 -20.205 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.538 33.055 -21.256 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.603 35.062 -19.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.995 35.115 -20.759 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.854 34.974 -19.400 1.00 0.00 H new ATOM 1207 N TYR A 74 21.247 31.049 -20.963 1.00 0.00 N ATOM 1208 CA TYR A 74 20.362 30.144 -21.636 1.00 0.00 C ATOM 1209 C TYR A 74 18.907 30.595 -21.602 1.00 0.00 C ATOM 1210 O TYR A 74 18.175 30.414 -22.575 1.00 0.00 O ATOM 1211 CB TYR A 74 20.547 28.737 -21.086 1.00 0.00 C ATOM 1212 CG TYR A 74 21.743 28.015 -21.685 1.00 0.00 C ATOM 1213 CD1 TYR A 74 23.021 28.201 -21.175 1.00 0.00 C ATOM 1214 CD2 TYR A 74 21.591 27.155 -22.767 1.00 0.00 C ATOM 1215 CE1 TYR A 74 24.110 27.557 -21.721 1.00 0.00 C ATOM 1216 CE2 TYR A 74 22.679 26.503 -23.320 1.00 0.00 C ATOM 1217 CZ TYR A 74 23.936 26.709 -22.791 1.00 0.00 C ATOM 1218 OH TYR A 74 25.025 26.065 -23.336 1.00 0.00 O ATOM 0 H TYR A 74 21.670 30.663 -20.119 1.00 0.00 H new ATOM 0 HA TYR A 74 20.630 30.141 -22.693 1.00 0.00 H new ATOM 0 HB2 TYR A 74 20.666 28.789 -20.004 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.645 28.156 -21.280 1.00 0.00 H new ATOM 0 HD1 TYR A 74 23.164 28.863 -20.334 1.00 0.00 H new ATOM 0 HD2 TYR A 74 20.607 26.993 -23.183 1.00 0.00 H new ATOM 0 HE1 TYR A 74 25.096 27.717 -21.311 1.00 0.00 H new ATOM 0 HE2 TYR A 74 22.545 25.837 -24.160 1.00 0.00 H new ATOM 0 HH TYR A 74 24.732 25.502 -24.083 1.00 0.00 H new ATOM 1228 N ASP A 75 18.491 31.183 -20.492 1.00 0.00 N ATOM 1229 CA ASP A 75 17.115 31.668 -20.356 1.00 0.00 C ATOM 1230 C ASP A 75 16.789 32.749 -21.383 1.00 0.00 C ATOM 1231 O ASP A 75 15.695 32.755 -21.957 1.00 0.00 O ATOM 1232 CB ASP A 75 16.844 32.217 -18.951 1.00 0.00 C ATOM 1233 CG ASP A 75 16.454 31.150 -17.949 1.00 0.00 C ATOM 1234 OD1 ASP A 75 15.653 30.257 -18.299 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.911 31.224 -16.793 1.00 0.00 O ATOM 0 H ASP A 75 19.078 31.338 -19.673 1.00 0.00 H new ATOM 0 HA ASP A 75 16.472 30.806 -20.533 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.735 32.732 -18.593 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.048 32.960 -19.007 1.00 0.00 H new ATOM 1240 N LYS A 76 17.733 33.649 -21.626 1.00 0.00 N ATOM 1241 CA LYS A 76 17.470 34.760 -22.546 1.00 0.00 C ATOM 1242 C LYS A 76 17.958 34.473 -23.961 1.00 0.00 C ATOM 1243 O LYS A 76 17.464 35.061 -24.923 1.00 0.00 O ATOM 1244 CB LYS A 76 18.050 36.081 -22.020 1.00 0.00 C ATOM 1245 CG LYS A 76 19.559 36.099 -21.818 1.00 0.00 C ATOM 1246 CD LYS A 76 20.010 37.426 -21.224 1.00 0.00 C ATOM 1247 CE LYS A 76 21.515 37.472 -20.996 1.00 0.00 C ATOM 1248 NZ LYS A 76 21.941 38.767 -20.397 1.00 0.00 N ATOM 0 H LYS A 76 18.666 33.639 -21.214 1.00 0.00 H new ATOM 0 HA LYS A 76 16.386 34.866 -22.597 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.784 36.877 -22.716 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.571 36.315 -21.069 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.852 35.282 -21.158 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.060 35.934 -22.772 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.720 38.238 -21.891 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.496 37.592 -20.278 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.809 36.653 -20.340 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.032 37.322 -21.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.971 38.762 -20.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.683 39.546 -21.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.467 38.898 -19.481 1.00 0.00 H new ATOM 1262 N GLY A 77 18.904 33.569 -24.091 1.00 0.00 N ATOM 1263 CA GLY A 77 19.413 33.245 -25.395 1.00 0.00 C ATOM 1264 C GLY A 77 18.965 31.883 -25.849 1.00 0.00 C ATOM 1265 O GLY A 77 19.711 30.911 -25.644 1.00 0.00 O ATOM 1266 OXT GLY A 77 17.855 31.773 -26.406 1.00 0.00 O ATOM 0 H GLY A 77 19.328 33.055 -23.319 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.079 33.995 -26.112 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.502 33.282 -25.379 1.00 0.00 H new TER 1270 GLY A 77