USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 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 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 SER OG : rot -35:sc= 0.133 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -122:sc= 0.00314 (180deg=-0.0811) USER MOD Set 2.2: A 48 ASN : amide:sc= -0.037 K(o=-0.034,f=-0.67) USER MOD Set 3.1: A 17 TYR OH : rot 180:sc= 0.175 USER MOD Set 3.2: A 74 TYR OH : rot 108:sc= 1.88 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0117 (180deg=-0.0264) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0.012) USER MOD Single : A 9 SER OG : rot -113:sc= 0.0558 USER MOD Single : A 10 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.4!) USER MOD Single : A 11 MET CE :methyl -169:sc=-0.00768 (180deg=-0.187) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -75:sc= 1.23 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 18 TYR OH : rot 52:sc= 1.85 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.343 USER MOD Single : A 29 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= -0.0352 (180deg=-0.337) USER MOD Single : A 36 TYR OH : rot -39:sc= 0.102 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 44 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.68) USER MOD Single : A 50 ASN : amide:sc=-0.00369 X(o=-0.0037,f=-0.12) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 1.33 (180deg=1.22) USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0378) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 59 SER OG : rot 69:sc= 1.23 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= -2.1! (180deg=-2.32!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.195 18.607 8.099 1.00 0.00 N ATOM 2 CA MET A 1 6.162 17.741 8.692 1.00 0.00 C ATOM 3 C MET A 1 5.415 17.005 7.605 1.00 0.00 C ATOM 4 O MET A 1 5.161 17.560 6.539 1.00 0.00 O ATOM 5 CB MET A 1 5.168 18.562 9.519 1.00 0.00 C ATOM 6 CG MET A 1 5.767 19.228 10.744 1.00 0.00 C ATOM 7 SD MET A 1 4.533 20.132 11.703 1.00 0.00 S ATOM 8 CE MET A 1 5.544 20.766 13.041 1.00 0.00 C ATOM 0 H1 MET A 1 8.127 18.346 8.479 1.00 0.00 H new ATOM 0 H2 MET A 1 7.197 18.488 7.066 1.00 0.00 H new ATOM 0 H3 MET A 1 6.992 19.600 8.333 1.00 0.00 H new ATOM 0 HA MET A 1 6.659 17.025 9.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.731 19.330 8.881 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.354 17.911 9.837 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.232 18.471 11.376 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.556 19.913 10.433 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.923 21.349 13.721 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.994 19.934 13.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.331 21.401 12.633 1.00 0.00 H new ATOM 20 N GLY A 2 5.081 15.757 7.868 1.00 0.00 N ATOM 21 CA GLY A 2 4.334 14.974 6.916 1.00 0.00 C ATOM 22 C GLY A 2 5.147 14.600 5.700 1.00 0.00 C ATOM 23 O GLY A 2 6.379 14.651 5.721 1.00 0.00 O ATOM 0 H GLY A 2 5.316 15.268 8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.975 14.066 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.455 15.536 6.601 1.00 0.00 H new ATOM 27 N HIS A 3 4.459 14.230 4.645 1.00 0.00 N ATOM 28 CA HIS A 3 5.103 13.845 3.401 1.00 0.00 C ATOM 29 C HIS A 3 4.576 14.695 2.276 1.00 0.00 C ATOM 30 O HIS A 3 3.509 15.297 2.396 1.00 0.00 O ATOM 31 CB HIS A 3 4.846 12.370 3.083 1.00 0.00 C ATOM 32 CG HIS A 3 5.459 11.417 4.055 1.00 0.00 C ATOM 33 ND1 HIS A 3 6.620 10.723 3.800 1.00 0.00 N ATOM 34 CD2 HIS A 3 5.062 11.036 5.287 1.00 0.00 C ATOM 35 CE1 HIS A 3 6.903 9.956 4.834 1.00 0.00 C ATOM 36 NE2 HIS A 3 5.976 10.130 5.750 1.00 0.00 N ATOM 0 H HIS A 3 3.440 14.186 4.620 1.00 0.00 H new ATOM 0 HA HIS A 3 6.177 13.995 3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.770 12.199 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.231 12.153 2.087 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.184 11.383 5.811 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.754 9.295 4.915 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.944 9.665 6.657 1.00 0.00 H new ATOM 44 N HIS A 4 5.304 14.752 1.187 1.00 0.00 N ATOM 45 CA HIS A 4 4.857 15.521 0.044 1.00 0.00 C ATOM 46 C HIS A 4 3.853 14.711 -0.754 1.00 0.00 C ATOM 47 O HIS A 4 4.198 13.722 -1.386 1.00 0.00 O ATOM 48 CB HIS A 4 6.041 15.958 -0.830 1.00 0.00 C ATOM 49 CG HIS A 4 6.903 17.012 -0.192 1.00 0.00 C ATOM 50 ND1 HIS A 4 6.723 18.365 -0.404 1.00 0.00 N ATOM 51 CD2 HIS A 4 7.946 16.909 0.667 1.00 0.00 C ATOM 52 CE1 HIS A 4 7.620 19.044 0.294 1.00 0.00 C ATOM 53 NE2 HIS A 4 8.369 18.185 0.954 1.00 0.00 N ATOM 0 H HIS A 4 6.201 14.281 1.065 1.00 0.00 H new ATOM 0 HA HIS A 4 4.371 16.429 0.400 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.655 15.087 -1.057 1.00 0.00 H new ATOM 0 HB3 HIS A 4 5.661 16.336 -1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 4 8.367 15.993 1.055 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.720 20.119 0.318 1.00 0.00 H new ATOM 0 HE2 HIS A 4 9.139 18.427 1.578 1.00 0.00 H new ATOM 61 N HIS A 5 2.602 15.139 -0.711 1.00 0.00 N ATOM 62 CA HIS A 5 1.514 14.422 -1.373 1.00 0.00 C ATOM 63 C HIS A 5 1.317 14.903 -2.803 1.00 0.00 C ATOM 64 O HIS A 5 0.401 14.459 -3.497 1.00 0.00 O ATOM 65 CB HIS A 5 0.205 14.569 -0.581 1.00 0.00 C ATOM 66 CG HIS A 5 0.217 13.873 0.747 1.00 0.00 C ATOM 67 ND1 HIS A 5 -0.169 12.558 0.911 1.00 0.00 N ATOM 68 CD2 HIS A 5 0.579 14.309 1.977 1.00 0.00 C ATOM 69 CE1 HIS A 5 -0.044 12.218 2.182 1.00 0.00 C ATOM 70 NE2 HIS A 5 0.407 13.260 2.846 1.00 0.00 N ATOM 0 H HIS A 5 2.309 15.985 -0.222 1.00 0.00 H new ATOM 0 HA HIS A 5 1.790 13.368 -1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.004 15.629 -0.423 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.616 14.175 -1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.936 15.297 2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -0.273 11.250 2.603 1.00 0.00 H new ATOM 0 HE2 HIS A 5 0.599 13.285 3.848 1.00 0.00 H new ATOM 78 N HIS A 6 2.175 15.796 -3.244 1.00 0.00 N ATOM 79 CA HIS A 6 2.082 16.327 -4.591 1.00 0.00 C ATOM 80 C HIS A 6 2.960 15.520 -5.529 1.00 0.00 C ATOM 81 O HIS A 6 4.170 15.727 -5.596 1.00 0.00 O ATOM 82 CB HIS A 6 2.475 17.808 -4.626 1.00 0.00 C ATOM 83 CG HIS A 6 1.550 18.695 -3.847 1.00 0.00 C ATOM 84 ND1 HIS A 6 0.418 19.258 -4.383 1.00 0.00 N ATOM 85 CD2 HIS A 6 1.588 19.104 -2.553 1.00 0.00 C ATOM 86 CE1 HIS A 6 -0.200 19.972 -3.461 1.00 0.00 C ATOM 87 NE2 HIS A 6 0.489 19.896 -2.344 1.00 0.00 N ATOM 0 H HIS A 6 2.946 16.171 -2.692 1.00 0.00 H new ATOM 0 HA HIS A 6 1.046 16.248 -4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.486 17.916 -4.232 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.499 18.144 -5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.344 18.852 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -1.117 20.525 -3.601 1.00 0.00 H new ATOM 0 HE2 HIS A 6 0.245 20.352 -1.465 1.00 0.00 H new ATOM 95 N HIS A 7 2.344 14.588 -6.233 1.00 0.00 N ATOM 96 CA HIS A 7 3.053 13.716 -7.151 1.00 0.00 C ATOM 97 C HIS A 7 2.105 13.218 -8.237 1.00 0.00 C ATOM 98 O HIS A 7 1.007 12.738 -7.946 1.00 0.00 O ATOM 99 CB HIS A 7 3.664 12.528 -6.378 1.00 0.00 C ATOM 100 CG HIS A 7 4.378 11.517 -7.237 1.00 0.00 C ATOM 101 ND1 HIS A 7 5.637 11.724 -7.763 1.00 0.00 N ATOM 102 CD2 HIS A 7 4.001 10.286 -7.656 1.00 0.00 C ATOM 103 CE1 HIS A 7 5.999 10.665 -8.467 1.00 0.00 C ATOM 104 NE2 HIS A 7 5.025 9.780 -8.417 1.00 0.00 N ATOM 0 H HIS A 7 1.340 14.415 -6.185 1.00 0.00 H new ATOM 0 HA HIS A 7 3.859 14.275 -7.626 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.365 12.915 -5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.869 12.022 -5.830 1.00 0.00 H new ATOM 0 HD2 HIS A 7 3.066 9.793 -7.433 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.934 10.546 -8.994 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.031 8.866 -8.870 1.00 0.00 H new ATOM 112 N HIS A 8 2.530 13.344 -9.478 1.00 0.00 N ATOM 113 CA HIS A 8 1.744 12.899 -10.617 1.00 0.00 C ATOM 114 C HIS A 8 2.672 12.515 -11.754 1.00 0.00 C ATOM 115 O HIS A 8 3.868 12.798 -11.698 1.00 0.00 O ATOM 116 CB HIS A 8 0.743 13.987 -11.073 1.00 0.00 C ATOM 117 CG HIS A 8 1.377 15.244 -11.610 1.00 0.00 C ATOM 118 ND1 HIS A 8 1.861 16.251 -10.802 1.00 0.00 N ATOM 119 CD2 HIS A 8 1.598 15.652 -12.880 1.00 0.00 C ATOM 120 CE1 HIS A 8 2.348 17.222 -11.559 1.00 0.00 C ATOM 121 NE2 HIS A 8 2.201 16.879 -12.819 1.00 0.00 N ATOM 0 H HIS A 8 3.429 13.757 -9.728 1.00 0.00 H new ATOM 0 HA HIS A 8 1.162 12.028 -10.317 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.096 13.566 -11.843 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.105 14.250 -10.229 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.345 15.109 -13.778 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.791 18.140 -11.202 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.490 17.437 -13.622 1.00 0.00 H new ATOM 129 N SER A 9 2.131 11.872 -12.768 1.00 0.00 N ATOM 130 CA SER A 9 2.920 11.452 -13.911 1.00 0.00 C ATOM 131 C SER A 9 3.407 12.671 -14.700 1.00 0.00 C ATOM 132 O SER A 9 2.648 13.619 -14.938 1.00 0.00 O ATOM 133 CB SER A 9 2.083 10.537 -14.818 1.00 0.00 C ATOM 134 OG SER A 9 2.849 10.038 -15.911 1.00 0.00 O ATOM 0 H SER A 9 1.143 11.627 -12.825 1.00 0.00 H new ATOM 0 HA SER A 9 3.789 10.900 -13.553 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.694 9.702 -14.234 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.223 11.088 -15.198 1.00 0.00 H new ATOM 0 HG SER A 9 2.502 10.408 -16.750 1.00 0.00 H new ATOM 140 N HIS A 10 4.667 12.645 -15.098 1.00 0.00 N ATOM 141 CA HIS A 10 5.231 13.735 -15.869 1.00 0.00 C ATOM 142 C HIS A 10 4.988 13.484 -17.343 1.00 0.00 C ATOM 143 O HIS A 10 5.678 12.679 -17.971 1.00 0.00 O ATOM 144 CB HIS A 10 6.734 13.888 -15.586 1.00 0.00 C ATOM 145 CG HIS A 10 7.352 15.107 -16.213 1.00 0.00 C ATOM 146 ND1 HIS A 10 7.350 16.342 -15.607 1.00 0.00 N ATOM 147 CD2 HIS A 10 7.993 15.275 -17.399 1.00 0.00 C ATOM 148 CE1 HIS A 10 7.959 17.220 -16.387 1.00 0.00 C ATOM 149 NE2 HIS A 10 8.358 16.598 -17.475 1.00 0.00 N ATOM 0 H HIS A 10 5.316 11.883 -14.900 1.00 0.00 H new ATOM 0 HA HIS A 10 4.744 14.665 -15.577 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.888 13.929 -14.508 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.254 13.002 -15.949 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.180 14.513 -18.141 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.104 18.268 -16.168 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.859 17.029 -18.252 1.00 0.00 H new ATOM 157 N MET A 11 3.995 14.154 -17.883 1.00 0.00 N ATOM 158 CA MET A 11 3.629 13.976 -19.273 1.00 0.00 C ATOM 159 C MET A 11 4.472 14.871 -20.168 1.00 0.00 C ATOM 160 O MET A 11 4.974 15.907 -19.730 1.00 0.00 O ATOM 161 CB MET A 11 2.136 14.247 -19.479 1.00 0.00 C ATOM 162 CG MET A 11 1.231 13.322 -18.669 1.00 0.00 C ATOM 163 SD MET A 11 1.561 11.570 -18.971 1.00 0.00 S ATOM 164 CE MET A 11 1.110 11.423 -20.700 1.00 0.00 C ATOM 0 H MET A 11 3.423 14.831 -17.379 1.00 0.00 H new ATOM 0 HA MET A 11 3.825 12.940 -19.549 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.922 15.281 -19.208 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.898 14.139 -20.537 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.361 13.533 -17.608 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.190 13.537 -18.911 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.072 10.370 -20.978 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.132 11.876 -20.861 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.852 11.934 -21.314 1.00 0.00 H new ATOM 174 N VAL A 12 4.631 14.467 -21.410 1.00 0.00 N ATOM 175 CA VAL A 12 5.430 15.232 -22.354 1.00 0.00 C ATOM 176 C VAL A 12 4.570 16.294 -23.042 1.00 0.00 C ATOM 177 O VAL A 12 3.582 15.974 -23.708 1.00 0.00 O ATOM 178 CB VAL A 12 6.086 14.317 -23.430 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.953 15.127 -24.387 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.906 13.220 -22.765 1.00 0.00 C ATOM 0 H VAL A 12 4.220 13.616 -21.793 1.00 0.00 H new ATOM 0 HA VAL A 12 6.226 15.716 -21.787 1.00 0.00 H new ATOM 0 HB VAL A 12 5.288 13.854 -24.011 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.398 14.462 -25.127 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.339 15.872 -24.892 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.743 15.627 -23.827 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.358 12.589 -23.530 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.690 13.670 -22.156 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.258 12.614 -22.132 1.00 0.00 H new ATOM 190 N LYS A 13 4.951 17.547 -22.862 1.00 0.00 N ATOM 191 CA LYS A 13 4.274 18.667 -23.454 1.00 0.00 C ATOM 192 C LYS A 13 5.231 19.840 -23.526 1.00 0.00 C ATOM 193 O LYS A 13 5.326 20.638 -22.594 1.00 0.00 O ATOM 194 CB LYS A 13 2.988 19.047 -22.694 1.00 0.00 C ATOM 195 CG LYS A 13 3.140 19.193 -21.191 1.00 0.00 C ATOM 196 CD LYS A 13 1.841 19.621 -20.532 1.00 0.00 C ATOM 197 CE LYS A 13 2.017 19.792 -19.029 1.00 0.00 C ATOM 198 NZ LYS A 13 0.770 20.251 -18.373 1.00 0.00 N ATOM 0 H LYS A 13 5.753 17.809 -22.290 1.00 0.00 H new ATOM 0 HA LYS A 13 3.960 18.385 -24.459 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.612 19.987 -23.097 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.231 18.289 -22.894 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.469 18.245 -20.765 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.917 19.926 -20.974 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.500 20.559 -20.970 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.068 18.878 -20.728 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.330 18.844 -18.590 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.814 20.511 -18.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.933 20.355 -17.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.485 21.168 -18.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.016 19.553 -18.534 1.00 0.00 H new ATOM 212 N GLU A 14 5.962 19.916 -24.636 1.00 0.00 N ATOM 213 CA GLU A 14 7.005 20.918 -24.822 1.00 0.00 C ATOM 214 C GLU A 14 8.019 20.814 -23.695 1.00 0.00 C ATOM 215 O GLU A 14 8.031 21.623 -22.759 1.00 0.00 O ATOM 216 CB GLU A 14 6.434 22.337 -24.908 1.00 0.00 C ATOM 217 CG GLU A 14 7.497 23.398 -25.132 1.00 0.00 C ATOM 218 CD GLU A 14 6.924 24.794 -25.195 1.00 0.00 C ATOM 219 OE1 GLU A 14 6.359 25.165 -26.248 1.00 0.00 O ATOM 220 OE2 GLU A 14 7.043 25.533 -24.195 1.00 0.00 O ATOM 0 H GLU A 14 5.847 19.285 -25.429 1.00 0.00 H new ATOM 0 HA GLU A 14 7.497 20.718 -25.774 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.709 22.381 -25.721 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.895 22.561 -23.988 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.231 23.347 -24.327 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.027 23.185 -26.060 1.00 0.00 H new ATOM 227 N THR A 15 8.845 19.807 -23.765 1.00 0.00 N ATOM 228 CA THR A 15 9.780 19.579 -22.741 1.00 0.00 C ATOM 229 C THR A 15 11.041 20.380 -22.947 1.00 0.00 C ATOM 230 O THR A 15 11.820 20.149 -23.879 1.00 0.00 O ATOM 231 CB THR A 15 10.090 18.106 -22.618 1.00 0.00 C ATOM 232 OG1 THR A 15 8.921 17.400 -22.182 1.00 0.00 O ATOM 233 CG2 THR A 15 11.225 17.858 -21.657 1.00 0.00 C ATOM 0 H THR A 15 8.876 19.137 -24.533 1.00 0.00 H new ATOM 0 HA THR A 15 9.331 19.915 -21.806 1.00 0.00 H new ATOM 0 HB THR A 15 10.396 17.743 -23.599 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.775 17.567 -21.227 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.421 16.788 -21.593 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.120 18.370 -22.011 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.956 18.237 -20.671 1.00 0.00 H new ATOM 241 N THR A 16 11.207 21.331 -22.085 1.00 0.00 N ATOM 242 CA THR A 16 12.366 22.171 -22.074 1.00 0.00 C ATOM 243 C THR A 16 13.333 21.704 -20.998 1.00 0.00 C ATOM 244 O THR A 16 13.074 20.725 -20.316 1.00 0.00 O ATOM 245 CB THR A 16 11.986 23.677 -21.895 1.00 0.00 C ATOM 246 OG1 THR A 16 13.161 24.505 -21.894 1.00 0.00 O ATOM 247 CG2 THR A 16 11.202 23.900 -20.609 1.00 0.00 C ATOM 0 H THR A 16 10.530 21.551 -21.355 1.00 0.00 H new ATOM 0 HA THR A 16 12.861 22.089 -23.042 1.00 0.00 H new ATOM 0 HB THR A 16 11.356 23.955 -22.740 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.900 25.443 -21.783 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.953 24.957 -20.513 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.285 23.312 -20.635 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.807 23.591 -19.756 1.00 0.00 H new ATOM 255 N TYR A 17 14.419 22.417 -20.840 1.00 0.00 N ATOM 256 CA TYR A 17 15.466 22.062 -19.881 1.00 0.00 C ATOM 257 C TYR A 17 14.910 22.015 -18.470 1.00 0.00 C ATOM 258 O TYR A 17 15.298 21.174 -17.677 1.00 0.00 O ATOM 259 CB TYR A 17 16.626 23.064 -19.990 1.00 0.00 C ATOM 260 CG TYR A 17 17.362 22.977 -21.320 1.00 0.00 C ATOM 261 CD1 TYR A 17 16.831 23.546 -22.472 1.00 0.00 C ATOM 262 CD2 TYR A 17 18.578 22.315 -21.423 1.00 0.00 C ATOM 263 CE1 TYR A 17 17.488 23.450 -23.683 1.00 0.00 C ATOM 264 CE2 TYR A 17 19.244 22.221 -22.629 1.00 0.00 C ATOM 265 CZ TYR A 17 18.696 22.787 -23.755 1.00 0.00 C ATOM 266 OH TYR A 17 19.357 22.685 -24.964 1.00 0.00 O ATOM 0 H TYR A 17 14.615 23.267 -21.370 1.00 0.00 H new ATOM 0 HA TYR A 17 15.843 21.067 -20.116 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.240 24.075 -19.860 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.331 22.885 -19.178 1.00 0.00 H new ATOM 0 HD1 TYR A 17 15.889 24.072 -22.419 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.012 21.865 -20.542 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.058 23.892 -24.570 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.191 21.705 -22.687 1.00 0.00 H new ATOM 0 HH TYR A 17 20.193 22.189 -24.839 1.00 0.00 H new ATOM 276 N TYR A 18 13.986 22.901 -18.177 1.00 0.00 N ATOM 277 CA TYR A 18 13.355 22.929 -16.893 1.00 0.00 C ATOM 278 C TYR A 18 12.397 21.743 -16.756 1.00 0.00 C ATOM 279 O TYR A 18 12.261 21.154 -15.683 1.00 0.00 O ATOM 280 CB TYR A 18 12.635 24.253 -16.714 1.00 0.00 C ATOM 281 CG TYR A 18 13.563 25.434 -16.458 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.498 25.844 -17.413 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.493 26.146 -15.266 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.328 26.927 -17.180 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.321 27.227 -15.028 1.00 0.00 C ATOM 286 CZ TYR A 18 15.237 27.612 -15.986 1.00 0.00 C ATOM 287 OH TYR A 18 16.064 28.689 -15.746 1.00 0.00 O ATOM 0 H TYR A 18 13.657 23.617 -18.825 1.00 0.00 H new ATOM 0 HA TYR A 18 14.106 22.840 -16.108 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.043 24.456 -17.606 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.937 24.166 -15.881 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.574 25.307 -18.347 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.779 25.849 -14.512 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.043 27.234 -17.929 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.251 27.768 -14.096 1.00 0.00 H new ATOM 0 HH TYR A 18 16.001 29.323 -16.491 1.00 0.00 H new ATOM 297 N ASP A 19 11.739 21.403 -17.868 1.00 0.00 N ATOM 298 CA ASP A 19 10.807 20.268 -17.923 1.00 0.00 C ATOM 299 C ASP A 19 11.558 18.941 -17.744 1.00 0.00 C ATOM 300 O ASP A 19 11.067 18.027 -17.087 1.00 0.00 O ATOM 301 CB ASP A 19 10.047 20.265 -19.254 1.00 0.00 C ATOM 302 CG ASP A 19 8.837 19.335 -19.238 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.986 18.136 -19.552 1.00 0.00 O ATOM 304 OD2 ASP A 19 7.732 19.807 -18.909 1.00 0.00 O ATOM 0 H ASP A 19 11.835 21.902 -18.752 1.00 0.00 H new ATOM 0 HA ASP A 19 10.091 20.375 -17.108 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.718 21.279 -19.482 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.723 19.961 -20.053 1.00 0.00 H new ATOM 309 N VAL A 20 12.756 18.866 -18.329 1.00 0.00 N ATOM 310 CA VAL A 20 13.629 17.683 -18.233 1.00 0.00 C ATOM 311 C VAL A 20 13.976 17.401 -16.778 1.00 0.00 C ATOM 312 O VAL A 20 14.011 16.252 -16.339 1.00 0.00 O ATOM 313 CB VAL A 20 14.940 17.887 -19.044 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.863 16.696 -18.928 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.631 18.159 -20.490 1.00 0.00 C ATOM 0 H VAL A 20 13.153 19.623 -18.885 1.00 0.00 H new ATOM 0 HA VAL A 20 13.087 16.835 -18.651 1.00 0.00 H new ATOM 0 HB VAL A 20 15.452 18.750 -18.619 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.767 16.878 -19.509 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.128 16.542 -17.882 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.360 15.807 -19.309 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.561 18.299 -21.041 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.084 17.315 -20.910 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.024 19.061 -20.569 1.00 0.00 H new ATOM 325 N LEU A 21 14.218 18.465 -16.038 1.00 0.00 N ATOM 326 CA LEU A 21 14.557 18.353 -14.614 1.00 0.00 C ATOM 327 C LEU A 21 13.292 18.226 -13.776 1.00 0.00 C ATOM 328 O LEU A 21 13.356 17.998 -12.566 1.00 0.00 O ATOM 329 CB LEU A 21 15.366 19.579 -14.128 1.00 0.00 C ATOM 330 CG LEU A 21 16.891 19.583 -14.393 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.581 18.441 -13.692 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.209 19.543 -15.856 1.00 0.00 C ATOM 0 H LEU A 21 14.189 19.422 -16.390 1.00 0.00 H new ATOM 0 HA LEU A 21 15.170 17.460 -14.494 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.942 20.468 -14.595 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.212 19.679 -13.054 1.00 0.00 H new ATOM 0 HG LEU A 21 17.267 20.522 -13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.650 18.478 -13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.419 18.523 -12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.173 17.495 -14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.290 19.547 -15.994 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.791 18.637 -16.295 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.777 20.416 -16.346 1.00 0.00 H new ATOM 344 N GLY A 22 12.140 18.353 -14.428 1.00 0.00 N ATOM 345 CA GLY A 22 10.876 18.259 -13.734 1.00 0.00 C ATOM 346 C GLY A 22 10.749 19.312 -12.658 1.00 0.00 C ATOM 347 O GLY A 22 10.176 19.063 -11.591 1.00 0.00 O ATOM 0 H GLY A 22 12.064 18.520 -15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.060 18.368 -14.448 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.779 17.269 -13.288 1.00 0.00 H new ATOM 351 N VAL A 23 11.278 20.486 -12.937 1.00 0.00 N ATOM 352 CA VAL A 23 11.313 21.556 -11.967 1.00 0.00 C ATOM 353 C VAL A 23 10.445 22.726 -12.437 1.00 0.00 C ATOM 354 O VAL A 23 9.994 22.752 -13.584 1.00 0.00 O ATOM 355 CB VAL A 23 12.776 22.027 -11.740 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.206 23.057 -12.768 1.00 0.00 C ATOM 357 CG2 VAL A 23 12.988 22.525 -10.321 1.00 0.00 C ATOM 0 H VAL A 23 11.693 20.722 -13.838 1.00 0.00 H new ATOM 0 HA VAL A 23 10.915 21.185 -11.022 1.00 0.00 H new ATOM 0 HB VAL A 23 13.418 21.157 -11.877 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.235 23.359 -12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.138 22.625 -13.766 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.554 23.928 -12.705 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.022 22.846 -10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.322 23.366 -10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.772 21.721 -9.617 1.00 0.00 H new ATOM 367 N LYS A 24 10.212 23.679 -11.557 1.00 0.00 N ATOM 368 CA LYS A 24 9.393 24.826 -11.882 1.00 0.00 C ATOM 369 C LYS A 24 10.219 25.878 -12.619 1.00 0.00 C ATOM 370 O LYS A 24 11.434 25.938 -12.475 1.00 0.00 O ATOM 371 CB LYS A 24 8.803 25.437 -10.607 1.00 0.00 C ATOM 372 CG LYS A 24 7.839 24.526 -9.848 1.00 0.00 C ATOM 373 CD LYS A 24 7.522 25.077 -8.462 1.00 0.00 C ATOM 374 CE LYS A 24 6.864 26.451 -8.529 1.00 0.00 C ATOM 375 NZ LYS A 24 6.621 27.014 -7.177 1.00 0.00 N ATOM 0 H LYS A 24 10.581 23.680 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 24 8.580 24.494 -12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.621 25.713 -9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.281 26.357 -10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.916 24.417 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.275 23.531 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.862 24.385 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.441 25.143 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.500 27.131 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.919 26.375 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.173 27.948 -7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.994 26.378 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.526 27.110 -6.673 1.00 0.00 H new ATOM 389 N PRO A 25 9.562 26.723 -13.406 1.00 0.00 N ATOM 390 CA PRO A 25 10.223 27.797 -14.151 1.00 0.00 C ATOM 391 C PRO A 25 10.749 28.893 -13.223 1.00 0.00 C ATOM 392 O PRO A 25 11.510 29.769 -13.641 1.00 0.00 O ATOM 393 CB PRO A 25 9.117 28.349 -15.069 1.00 0.00 C ATOM 394 CG PRO A 25 7.986 27.373 -14.968 1.00 0.00 C ATOM 395 CD PRO A 25 8.122 26.709 -13.633 1.00 0.00 C ATOM 0 HA PRO A 25 11.094 27.436 -14.699 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.805 29.344 -14.752 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.468 28.437 -16.097 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.025 27.881 -15.054 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.032 26.640 -15.773 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.585 27.252 -12.855 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.725 25.694 -13.645 1.00 0.00 H new ATOM 403 N ASN A 26 10.329 28.835 -11.967 1.00 0.00 N ATOM 404 CA ASN A 26 10.714 29.821 -10.970 1.00 0.00 C ATOM 405 C ASN A 26 11.638 29.188 -9.960 1.00 0.00 C ATOM 406 O ASN A 26 11.903 29.750 -8.899 1.00 0.00 O ATOM 407 CB ASN A 26 9.483 30.375 -10.261 1.00 0.00 C ATOM 408 CG ASN A 26 8.575 31.179 -11.175 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.027 31.799 -12.140 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.287 31.173 -10.875 1.00 0.00 N ATOM 0 H ASN A 26 9.713 28.104 -11.612 1.00 0.00 H new ATOM 0 HA ASN A 26 11.227 30.641 -11.472 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.916 29.548 -9.833 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.803 31.006 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.627 31.695 -11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.954 30.647 -10.067 1.00 0.00 H new ATOM 417 N ALA A 27 12.124 28.003 -10.298 1.00 0.00 N ATOM 418 CA ALA A 27 12.977 27.251 -9.422 1.00 0.00 C ATOM 419 C ALA A 27 14.320 27.917 -9.223 1.00 0.00 C ATOM 420 O ALA A 27 14.864 28.539 -10.130 1.00 0.00 O ATOM 421 CB ALA A 27 13.141 25.862 -9.960 1.00 0.00 C ATOM 0 H ALA A 27 11.932 27.545 -11.189 1.00 0.00 H new ATOM 0 HA ALA A 27 12.505 27.207 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.788 25.289 -9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.166 25.379 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.588 25.907 -10.953 1.00 0.00 H new ATOM 427 N THR A 28 14.835 27.787 -8.031 1.00 0.00 N ATOM 428 CA THR A 28 16.100 28.372 -7.667 1.00 0.00 C ATOM 429 C THR A 28 17.235 27.495 -8.059 1.00 0.00 C ATOM 430 O THR A 28 17.043 26.345 -8.423 1.00 0.00 O ATOM 431 CB THR A 28 16.165 28.603 -6.164 1.00 0.00 C ATOM 432 OG1 THR A 28 16.106 27.350 -5.476 1.00 0.00 O ATOM 433 CG2 THR A 28 15.004 29.427 -5.749 1.00 0.00 C ATOM 0 H THR A 28 14.386 27.268 -7.277 1.00 0.00 H new ATOM 0 HA THR A 28 16.181 29.321 -8.197 1.00 0.00 H new ATOM 0 HB THR A 28 17.098 29.111 -5.920 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.831 27.499 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.044 29.596 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.033 30.385 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.080 28.906 -6.000 1.00 0.00 H new ATOM 441 N GLN A 29 18.422 28.046 -7.996 1.00 0.00 N ATOM 442 CA GLN A 29 19.619 27.272 -8.228 1.00 0.00 C ATOM 443 C GLN A 29 19.654 26.078 -7.268 1.00 0.00 C ATOM 444 O GLN A 29 20.108 24.986 -7.619 1.00 0.00 O ATOM 445 CB GLN A 29 20.851 28.147 -8.067 1.00 0.00 C ATOM 446 CG GLN A 29 22.160 27.406 -8.312 1.00 0.00 C ATOM 447 CD GLN A 29 23.377 28.306 -8.232 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.310 29.494 -8.539 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.497 27.745 -7.818 1.00 0.00 N ATOM 0 H GLN A 29 18.586 29.030 -7.785 1.00 0.00 H new ATOM 0 HA GLN A 29 19.614 26.892 -9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.783 28.987 -8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.862 28.564 -7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.259 26.605 -7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.126 26.937 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.511 26.755 -7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.349 28.301 -7.743 1.00 0.00 H new ATOM 458 N GLU A 30 19.143 26.302 -6.066 1.00 0.00 N ATOM 459 CA GLU A 30 19.044 25.266 -5.060 1.00 0.00 C ATOM 460 C GLU A 30 18.047 24.211 -5.522 1.00 0.00 C ATOM 461 O GLU A 30 18.313 23.005 -5.472 1.00 0.00 O ATOM 462 CB GLU A 30 18.537 25.884 -3.761 1.00 0.00 C ATOM 463 CG GLU A 30 18.401 24.903 -2.615 1.00 0.00 C ATOM 464 CD GLU A 30 17.714 25.521 -1.424 1.00 0.00 C ATOM 465 OE1 GLU A 30 16.459 25.535 -1.398 1.00 0.00 O ATOM 466 OE2 GLU A 30 18.412 26.021 -0.521 1.00 0.00 O ATOM 0 H GLU A 30 18.786 27.209 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 30 20.022 24.810 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.217 26.682 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.567 26.345 -3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.837 24.032 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.389 24.549 -2.321 1.00 0.00 H new ATOM 473 N GLU A 31 16.906 24.694 -5.997 1.00 0.00 N ATOM 474 CA GLU A 31 15.833 23.865 -6.444 1.00 0.00 C ATOM 475 C GLU A 31 16.221 23.070 -7.689 1.00 0.00 C ATOM 476 O GLU A 31 15.813 21.920 -7.856 1.00 0.00 O ATOM 477 CB GLU A 31 14.600 24.735 -6.665 1.00 0.00 C ATOM 478 CG GLU A 31 13.358 23.958 -7.003 1.00 0.00 C ATOM 479 CD GLU A 31 12.087 24.704 -6.649 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.978 25.906 -6.967 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.203 24.097 -6.017 1.00 0.00 O ATOM 0 H GLU A 31 16.713 25.692 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 31 15.601 23.122 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.416 25.322 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.805 25.441 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.356 23.730 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.375 23.005 -6.473 1.00 0.00 H new ATOM 488 N LEU A 32 17.018 23.684 -8.546 1.00 0.00 N ATOM 489 CA LEU A 32 17.504 23.025 -9.746 1.00 0.00 C ATOM 490 C LEU A 32 18.337 21.799 -9.402 1.00 0.00 C ATOM 491 O LEU A 32 18.143 20.723 -9.976 1.00 0.00 O ATOM 492 CB LEU A 32 18.326 23.994 -10.589 1.00 0.00 C ATOM 493 CG LEU A 32 17.532 24.943 -11.492 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.057 24.961 -11.123 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.092 26.343 -11.422 1.00 0.00 C ATOM 0 H LEU A 32 17.344 24.644 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 32 16.638 22.699 -10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.943 24.593 -9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.005 23.414 -11.214 1.00 0.00 H new ATOM 0 HG LEU A 32 17.626 24.572 -12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.525 25.645 -11.784 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.643 23.958 -11.229 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.944 25.293 -10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.513 27.000 -12.071 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.036 26.706 -10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.132 26.336 -11.748 1.00 0.00 H new ATOM 507 N LYS A 33 19.255 21.953 -8.452 1.00 0.00 N ATOM 508 CA LYS A 33 20.085 20.840 -8.019 1.00 0.00 C ATOM 509 C LYS A 33 19.240 19.777 -7.314 1.00 0.00 C ATOM 510 O LYS A 33 19.501 18.579 -7.438 1.00 0.00 O ATOM 511 CB LYS A 33 21.263 21.310 -7.159 1.00 0.00 C ATOM 512 CG LYS A 33 22.285 20.217 -6.880 1.00 0.00 C ATOM 513 CD LYS A 33 23.517 20.768 -6.193 1.00 0.00 C ATOM 514 CE LYS A 33 24.558 19.683 -5.966 1.00 0.00 C ATOM 515 NZ LYS A 33 25.818 20.236 -5.413 1.00 0.00 N ATOM 0 H LYS A 33 19.440 22.833 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 33 20.519 20.378 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.759 22.141 -7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.882 21.690 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.833 19.447 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.573 19.740 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.947 21.566 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.235 21.210 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.159 18.934 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.766 19.176 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.503 19.466 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.212 20.933 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.624 20.698 -4.502 1.00 0.00 H new ATOM 529 N LYS A 34 18.217 20.228 -6.577 1.00 0.00 N ATOM 530 CA LYS A 34 17.290 19.313 -5.905 1.00 0.00 C ATOM 531 C LYS A 34 16.565 18.433 -6.907 1.00 0.00 C ATOM 532 O LYS A 34 16.395 17.232 -6.679 1.00 0.00 O ATOM 533 CB LYS A 34 16.265 20.078 -5.064 1.00 0.00 C ATOM 534 CG LYS A 34 16.804 20.649 -3.770 1.00 0.00 C ATOM 535 CD LYS A 34 15.729 21.442 -3.041 1.00 0.00 C ATOM 536 CE LYS A 34 16.189 21.857 -1.657 1.00 0.00 C ATOM 537 NZ LYS A 34 16.366 20.680 -0.767 1.00 0.00 N ATOM 0 H LYS A 34 18.012 21.217 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 34 17.886 18.682 -5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.860 20.893 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.435 19.410 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.162 19.841 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.658 21.293 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.472 22.328 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.824 20.841 -2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.130 22.402 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.460 22.539 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.379 20.993 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.579 20.015 -0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.264 20.207 -0.992 1.00 0.00 H new ATOM 551 N ALA A 35 16.125 19.029 -8.011 1.00 0.00 N ATOM 552 CA ALA A 35 15.455 18.279 -9.062 1.00 0.00 C ATOM 553 C ALA A 35 16.389 17.228 -9.616 1.00 0.00 C ATOM 554 O ALA A 35 16.028 16.060 -9.726 1.00 0.00 O ATOM 555 CB ALA A 35 14.995 19.211 -10.176 1.00 0.00 C ATOM 0 H ALA A 35 16.221 20.027 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 35 14.577 17.791 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.496 18.631 -10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.301 19.948 -9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.858 19.722 -10.603 1.00 0.00 H new ATOM 561 N TYR A 36 17.612 17.647 -9.912 1.00 0.00 N ATOM 562 CA TYR A 36 18.626 16.757 -10.450 1.00 0.00 C ATOM 563 C TYR A 36 18.897 15.609 -9.498 1.00 0.00 C ATOM 564 O TYR A 36 18.981 14.464 -9.912 1.00 0.00 O ATOM 565 CB TYR A 36 19.917 17.527 -10.727 1.00 0.00 C ATOM 566 CG TYR A 36 21.071 16.659 -11.189 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.094 16.128 -12.466 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.142 16.383 -10.345 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.147 15.344 -12.896 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.198 15.601 -10.767 1.00 0.00 C ATOM 571 CZ TYR A 36 23.195 15.085 -12.045 1.00 0.00 C ATOM 572 OH TYR A 36 24.249 14.311 -12.475 1.00 0.00 O ATOM 0 H TYR A 36 17.926 18.609 -9.786 1.00 0.00 H new ATOM 0 HA TYR A 36 18.253 16.345 -11.388 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.720 18.284 -11.486 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.214 18.054 -9.821 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.274 16.330 -13.139 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.147 16.787 -9.343 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.147 14.936 -13.896 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.022 15.395 -10.100 1.00 0.00 H new ATOM 0 HH TYR A 36 23.911 13.575 -13.026 1.00 0.00 H new ATOM 582 N ARG A 37 19.022 15.928 -8.222 1.00 0.00 N ATOM 583 CA ARG A 37 19.304 14.932 -7.204 1.00 0.00 C ATOM 584 C ARG A 37 18.207 13.868 -7.153 1.00 0.00 C ATOM 585 O ARG A 37 18.494 12.672 -7.086 1.00 0.00 O ATOM 586 CB ARG A 37 19.442 15.609 -5.836 1.00 0.00 C ATOM 587 CG ARG A 37 19.827 14.663 -4.714 1.00 0.00 C ATOM 588 CD ARG A 37 19.952 15.397 -3.390 1.00 0.00 C ATOM 589 NE ARG A 37 20.477 14.526 -2.345 1.00 0.00 N ATOM 590 CZ ARG A 37 20.811 14.929 -1.117 1.00 0.00 C ATOM 591 NH1 ARG A 37 20.620 16.195 -0.745 1.00 0.00 N ATOM 592 NH2 ARG A 37 21.326 14.058 -0.260 1.00 0.00 N ATOM 0 H ARG A 37 18.932 16.879 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 37 20.242 14.439 -7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.192 16.397 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.497 16.090 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.078 13.876 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.773 14.178 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.608 16.259 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.976 15.779 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 37 20.598 13.538 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.216 16.864 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.878 16.495 0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.465 13.087 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.584 14.359 0.680 1.00 0.00 H new ATOM 606 N LYS A 38 16.956 14.308 -7.200 1.00 0.00 N ATOM 607 CA LYS A 38 15.825 13.390 -7.142 1.00 0.00 C ATOM 608 C LYS A 38 15.799 12.476 -8.379 1.00 0.00 C ATOM 609 O LYS A 38 15.616 11.252 -8.269 1.00 0.00 O ATOM 610 CB LYS A 38 14.511 14.175 -6.998 1.00 0.00 C ATOM 611 CG LYS A 38 13.283 13.294 -6.805 1.00 0.00 C ATOM 612 CD LYS A 38 12.027 14.123 -6.585 1.00 0.00 C ATOM 613 CE LYS A 38 10.811 13.236 -6.357 1.00 0.00 C ATOM 614 NZ LYS A 38 9.576 14.028 -6.117 1.00 0.00 N ATOM 0 H LYS A 38 16.699 15.292 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 38 15.937 12.752 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.596 14.854 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.368 14.791 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.151 12.657 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.438 12.635 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.168 14.779 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.855 14.763 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.665 12.592 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.994 12.584 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.774 13.383 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.704 14.624 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.385 14.632 -6.942 1.00 0.00 H new ATOM 628 N LEU A 39 15.999 13.075 -9.548 1.00 0.00 N ATOM 629 CA LEU A 39 16.002 12.334 -10.804 1.00 0.00 C ATOM 630 C LEU A 39 17.155 11.370 -10.852 1.00 0.00 C ATOM 631 O LEU A 39 17.020 10.255 -11.329 1.00 0.00 O ATOM 632 CB LEU A 39 16.100 13.280 -11.974 1.00 0.00 C ATOM 633 CG LEU A 39 15.109 14.413 -11.962 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.296 15.303 -13.169 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.678 13.905 -11.873 1.00 0.00 C ATOM 0 H LEU A 39 16.162 14.077 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 39 15.067 11.777 -10.864 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.106 13.698 -12.000 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.967 12.711 -12.894 1.00 0.00 H new ATOM 0 HG LEU A 39 15.299 15.008 -11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.569 16.115 -13.139 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.304 15.718 -13.162 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.150 14.719 -14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.991 14.751 -11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.463 13.270 -12.732 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.553 13.329 -10.956 1.00 0.00 H new ATOM 647 N ALA A 40 18.293 11.818 -10.352 1.00 0.00 N ATOM 648 CA ALA A 40 19.508 11.002 -10.330 1.00 0.00 C ATOM 649 C ALA A 40 19.295 9.710 -9.574 1.00 0.00 C ATOM 650 O ALA A 40 19.784 8.663 -9.970 1.00 0.00 O ATOM 651 CB ALA A 40 20.673 11.778 -9.733 1.00 0.00 C ATOM 0 H ALA A 40 18.408 12.749 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 40 19.750 10.751 -11.363 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.564 11.150 -9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.861 12.670 -10.331 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.430 12.071 -8.712 1.00 0.00 H new ATOM 657 N LEU A 41 18.569 9.791 -8.491 1.00 0.00 N ATOM 658 CA LEU A 41 18.269 8.637 -7.692 1.00 0.00 C ATOM 659 C LEU A 41 17.420 7.644 -8.483 1.00 0.00 C ATOM 660 O LEU A 41 17.634 6.430 -8.416 1.00 0.00 O ATOM 661 CB LEU A 41 17.534 9.072 -6.437 1.00 0.00 C ATOM 662 CG LEU A 41 18.332 9.932 -5.458 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.445 10.411 -4.326 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.530 9.168 -4.917 1.00 0.00 C ATOM 0 H LEU A 41 18.169 10.661 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 41 19.200 8.143 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.644 9.626 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.193 8.180 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 41 18.704 10.804 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.030 11.022 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.626 11.005 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.040 9.551 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.082 9.801 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.187 8.273 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.181 8.881 -5.742 1.00 0.00 H new ATOM 676 N LYS A 42 16.444 8.168 -9.216 1.00 0.00 N ATOM 677 CA LYS A 42 15.547 7.355 -10.004 1.00 0.00 C ATOM 678 C LYS A 42 16.186 6.799 -11.288 1.00 0.00 C ATOM 679 O LYS A 42 16.034 5.620 -11.604 1.00 0.00 O ATOM 680 CB LYS A 42 14.322 8.155 -10.343 1.00 0.00 C ATOM 681 CG LYS A 42 13.487 8.506 -9.136 1.00 0.00 C ATOM 682 CD LYS A 42 12.932 7.264 -8.456 1.00 0.00 C ATOM 683 CE LYS A 42 12.093 7.628 -7.242 1.00 0.00 C ATOM 684 NZ LYS A 42 11.522 6.427 -6.584 1.00 0.00 N ATOM 0 H LYS A 42 16.259 9.169 -9.276 1.00 0.00 H new ATOM 0 HA LYS A 42 15.286 6.489 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.624 9.073 -10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.711 7.591 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.092 9.070 -8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.664 9.154 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.325 6.699 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.754 6.615 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.707 8.176 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.285 8.294 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.957 6.718 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.916 5.917 -7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.293 5.803 -6.271 1.00 0.00 H new ATOM 698 N TYR A 43 16.898 7.645 -12.008 1.00 0.00 N ATOM 699 CA TYR A 43 17.481 7.270 -13.309 1.00 0.00 C ATOM 700 C TYR A 43 18.998 7.103 -13.222 1.00 0.00 C ATOM 701 O TYR A 43 19.709 7.417 -14.174 1.00 0.00 O ATOM 702 CB TYR A 43 17.134 8.327 -14.381 1.00 0.00 C ATOM 703 CG TYR A 43 15.647 8.555 -14.567 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.875 7.667 -15.302 1.00 0.00 C ATOM 705 CD2 TYR A 43 15.018 9.662 -14.008 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.520 7.869 -15.477 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.659 9.871 -14.178 1.00 0.00 C ATOM 708 CZ TYR A 43 12.916 8.972 -14.914 1.00 0.00 C ATOM 709 OH TYR A 43 11.561 9.181 -15.087 1.00 0.00 O ATOM 0 H TYR A 43 17.095 8.604 -11.723 1.00 0.00 H new ATOM 0 HA TYR A 43 17.050 6.310 -13.593 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.604 9.272 -14.110 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.565 8.018 -15.333 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.343 6.801 -15.746 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.597 10.369 -13.433 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.937 7.166 -16.053 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.184 10.734 -13.736 1.00 0.00 H new ATOM 0 HH TYR A 43 11.295 10.003 -14.625 1.00 0.00 H new ATOM 719 N HIS A 44 19.481 6.617 -12.077 1.00 0.00 N ATOM 720 CA HIS A 44 20.918 6.380 -11.861 1.00 0.00 C ATOM 721 C HIS A 44 21.511 5.570 -13.025 1.00 0.00 C ATOM 722 O HIS A 44 21.202 4.392 -13.182 1.00 0.00 O ATOM 723 CB HIS A 44 21.121 5.622 -10.547 1.00 0.00 C ATOM 724 CG HIS A 44 22.198 6.185 -9.672 1.00 0.00 C ATOM 725 ND1 HIS A 44 22.574 7.513 -9.694 1.00 0.00 N ATOM 726 CD2 HIS A 44 22.972 5.597 -8.732 1.00 0.00 C ATOM 727 CE1 HIS A 44 23.532 7.714 -8.811 1.00 0.00 C ATOM 728 NE2 HIS A 44 23.790 6.569 -8.212 1.00 0.00 N ATOM 0 H HIS A 44 18.896 6.377 -11.276 1.00 0.00 H new ATOM 0 HA HIS A 44 21.429 7.342 -11.810 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.182 5.621 -9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.359 4.583 -10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 44 22.951 4.556 -8.444 1.00 0.00 H new ATOM 0 HE1 HIS A 44 24.022 8.656 -8.613 1.00 0.00 H new ATOM 0 HE2 HIS A 44 24.486 6.428 -7.480 1.00 0.00 H new ATOM 736 N PRO A 45 22.385 6.192 -13.848 1.00 0.00 N ATOM 737 CA PRO A 45 22.947 5.551 -15.049 1.00 0.00 C ATOM 738 C PRO A 45 23.842 4.350 -14.739 1.00 0.00 C ATOM 739 O PRO A 45 24.019 3.464 -15.577 1.00 0.00 O ATOM 740 CB PRO A 45 23.757 6.666 -15.701 1.00 0.00 C ATOM 741 CG PRO A 45 24.089 7.573 -14.583 1.00 0.00 C ATOM 742 CD PRO A 45 22.896 7.558 -13.678 1.00 0.00 C ATOM 0 HA PRO A 45 22.159 5.142 -15.682 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.656 6.278 -16.180 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.181 7.178 -16.472 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.983 7.236 -14.058 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.293 8.581 -14.944 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.169 7.763 -12.643 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.158 8.306 -13.967 1.00 0.00 H new ATOM 750 N ASP A 46 24.402 4.320 -13.542 1.00 0.00 N ATOM 751 CA ASP A 46 25.256 3.210 -13.131 1.00 0.00 C ATOM 752 C ASP A 46 24.425 2.051 -12.624 1.00 0.00 C ATOM 753 O ASP A 46 24.932 0.955 -12.405 1.00 0.00 O ATOM 754 CB ASP A 46 26.253 3.648 -12.067 1.00 0.00 C ATOM 755 CG ASP A 46 25.605 4.275 -10.859 1.00 0.00 C ATOM 756 OD1 ASP A 46 24.976 5.338 -11.011 1.00 0.00 O ATOM 757 OD2 ASP A 46 25.748 3.720 -9.746 1.00 0.00 O ATOM 0 H ASP A 46 24.284 5.047 -12.837 1.00 0.00 H new ATOM 0 HA ASP A 46 25.814 2.881 -14.007 1.00 0.00 H new ATOM 0 HB2 ASP A 46 26.837 2.784 -11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 46 26.951 4.360 -12.506 1.00 0.00 H new ATOM 762 N LYS A 47 23.157 2.309 -12.439 1.00 0.00 N ATOM 763 CA LYS A 47 22.206 1.289 -12.016 1.00 0.00 C ATOM 764 C LYS A 47 21.359 0.854 -13.205 1.00 0.00 C ATOM 765 O LYS A 47 21.202 -0.337 -13.476 1.00 0.00 O ATOM 766 CB LYS A 47 21.303 1.826 -10.892 1.00 0.00 C ATOM 767 CG LYS A 47 20.309 0.804 -10.351 1.00 0.00 C ATOM 768 CD LYS A 47 19.497 1.385 -9.201 1.00 0.00 C ATOM 769 CE LYS A 47 18.511 0.367 -8.642 1.00 0.00 C ATOM 770 NZ LYS A 47 17.447 0.028 -9.623 1.00 0.00 N ATOM 0 H LYS A 47 22.744 3.232 -12.575 1.00 0.00 H new ATOM 0 HA LYS A 47 22.758 0.430 -11.633 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.930 2.176 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.753 2.690 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.639 0.486 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.843 -0.083 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.170 1.714 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.956 2.266 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.046 -0.540 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.055 0.764 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.516 0.241 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.580 0.590 -10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.500 -0.984 -9.856 1.00 0.00 H new ATOM 784 N ASN A 48 20.834 1.833 -13.922 1.00 0.00 N ATOM 785 CA ASN A 48 20.036 1.579 -15.104 1.00 0.00 C ATOM 786 C ASN A 48 20.590 2.349 -16.279 1.00 0.00 C ATOM 787 O ASN A 48 20.217 3.494 -16.523 1.00 0.00 O ATOM 788 CB ASN A 48 18.570 1.944 -14.891 1.00 0.00 C ATOM 789 CG ASN A 48 17.919 1.164 -13.757 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.929 1.594 -12.605 1.00 0.00 O ATOM 791 ND2 ASN A 48 17.349 0.016 -14.078 1.00 0.00 N ATOM 0 H ASN A 48 20.950 2.822 -13.700 1.00 0.00 H new ATOM 0 HA ASN A 48 20.086 0.510 -15.309 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.494 3.011 -14.681 1.00 0.00 H new ATOM 0 HB3 ASN A 48 18.019 1.761 -15.813 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.896 -0.547 -13.358 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.362 -0.307 -15.045 1.00 0.00 H new ATOM 798 N PRO A 49 21.500 1.723 -17.015 1.00 0.00 N ATOM 799 CA PRO A 49 22.115 2.302 -18.183 1.00 0.00 C ATOM 800 C PRO A 49 21.092 2.540 -19.285 1.00 0.00 C ATOM 801 O PRO A 49 21.311 3.327 -20.202 1.00 0.00 O ATOM 802 CB PRO A 49 23.127 1.246 -18.604 1.00 0.00 C ATOM 803 CG PRO A 49 22.632 0.006 -18.015 1.00 0.00 C ATOM 804 CD PRO A 49 22.002 0.397 -16.747 1.00 0.00 C ATOM 0 HA PRO A 49 22.564 3.275 -17.986 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.193 1.171 -19.689 1.00 0.00 H new ATOM 0 HB3 PRO A 49 24.126 1.487 -18.240 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.915 -0.483 -18.675 1.00 0.00 H new ATOM 0 HG3 PRO A 49 23.445 -0.701 -17.848 1.00 0.00 H new ATOM 0 HD2 PRO A 49 21.200 -0.287 -16.469 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.719 0.398 -15.926 1.00 0.00 H new ATOM 812 N ASN A 50 19.966 1.847 -19.168 1.00 0.00 N ATOM 813 CA ASN A 50 18.858 1.971 -20.102 1.00 0.00 C ATOM 814 C ASN A 50 18.276 3.375 -20.056 1.00 0.00 C ATOM 815 O ASN A 50 17.857 3.918 -21.076 1.00 0.00 O ATOM 816 CB ASN A 50 17.761 0.948 -19.776 1.00 0.00 C ATOM 817 CG ASN A 50 18.259 -0.486 -19.793 1.00 0.00 C ATOM 818 OD1 ASN A 50 18.753 -0.995 -18.786 1.00 0.00 O ATOM 819 ND2 ASN A 50 18.114 -1.150 -20.922 1.00 0.00 N ATOM 0 H ASN A 50 19.797 1.179 -18.416 1.00 0.00 H new ATOM 0 HA ASN A 50 19.238 1.776 -21.105 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.346 1.170 -18.793 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.949 1.053 -20.496 1.00 0.00 H new ATOM 0 HD21 ASN A 50 18.416 -2.122 -20.984 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.700 -0.692 -21.734 1.00 0.00 H new ATOM 826 N GLU A 51 18.259 3.967 -18.869 1.00 0.00 N ATOM 827 CA GLU A 51 17.680 5.297 -18.702 1.00 0.00 C ATOM 828 C GLU A 51 18.744 6.391 -18.842 1.00 0.00 C ATOM 829 O GLU A 51 18.455 7.578 -18.660 1.00 0.00 O ATOM 830 CB GLU A 51 16.970 5.412 -17.351 1.00 0.00 C ATOM 831 CG GLU A 51 15.767 4.482 -17.209 1.00 0.00 C ATOM 832 CD GLU A 51 14.671 4.772 -18.214 1.00 0.00 C ATOM 833 OE1 GLU A 51 13.817 5.640 -17.941 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.654 4.134 -19.287 1.00 0.00 O ATOM 0 H GLU A 51 18.635 3.554 -18.015 1.00 0.00 H new ATOM 0 HA GLU A 51 16.946 5.440 -19.495 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.683 5.193 -16.556 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.641 6.442 -17.210 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.097 3.450 -17.328 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.361 4.573 -16.201 1.00 0.00 H new ATOM 841 N GLY A 52 19.960 5.988 -19.199 1.00 0.00 N ATOM 842 CA GLY A 52 21.054 6.933 -19.345 1.00 0.00 C ATOM 843 C GLY A 52 20.832 7.917 -20.483 1.00 0.00 C ATOM 844 O GLY A 52 21.303 9.055 -20.421 1.00 0.00 O ATOM 0 H GLY A 52 20.208 5.018 -19.391 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.179 7.484 -18.413 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.981 6.386 -19.519 1.00 0.00 H new ATOM 848 N GLU A 53 20.118 7.480 -21.527 1.00 0.00 N ATOM 849 CA GLU A 53 19.801 8.361 -22.655 1.00 0.00 C ATOM 850 C GLU A 53 18.972 9.550 -22.172 1.00 0.00 C ATOM 851 O GLU A 53 19.193 10.690 -22.582 1.00 0.00 O ATOM 852 CB GLU A 53 19.032 7.607 -23.758 1.00 0.00 C ATOM 853 CG GLU A 53 19.859 6.584 -24.539 1.00 0.00 C ATOM 854 CD GLU A 53 20.121 5.304 -23.777 1.00 0.00 C ATOM 855 OE1 GLU A 53 19.273 4.383 -23.834 1.00 0.00 O ATOM 856 OE2 GLU A 53 21.184 5.203 -23.132 1.00 0.00 O ATOM 0 H GLU A 53 19.752 6.532 -21.614 1.00 0.00 H new ATOM 0 HA GLU A 53 20.741 8.716 -23.077 1.00 0.00 H new ATOM 0 HB2 GLU A 53 18.184 7.095 -23.304 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.626 8.336 -24.460 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.341 6.344 -25.467 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.813 7.035 -24.814 1.00 0.00 H new ATOM 863 N LYS A 54 18.027 9.267 -21.290 1.00 0.00 N ATOM 864 CA LYS A 54 17.195 10.286 -20.694 1.00 0.00 C ATOM 865 C LYS A 54 18.041 11.178 -19.799 1.00 0.00 C ATOM 866 O LYS A 54 17.888 12.402 -19.765 1.00 0.00 O ATOM 867 CB LYS A 54 16.090 9.649 -19.879 1.00 0.00 C ATOM 868 CG LYS A 54 15.029 8.918 -20.693 1.00 0.00 C ATOM 869 CD LYS A 54 14.002 8.346 -19.771 1.00 0.00 C ATOM 870 CE LYS A 54 12.967 7.518 -20.513 1.00 0.00 C ATOM 871 NZ LYS A 54 12.029 6.860 -19.576 1.00 0.00 N ATOM 0 H LYS A 54 17.819 8.321 -20.970 1.00 0.00 H new ATOM 0 HA LYS A 54 16.748 10.885 -21.487 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.537 8.945 -19.177 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.603 10.424 -19.287 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.559 9.604 -21.398 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.489 8.123 -21.280 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.493 7.725 -19.022 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.504 9.155 -19.237 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.410 8.157 -21.198 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.469 6.763 -21.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.566 6.060 -20.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.553 6.513 -18.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.308 7.544 -19.269 1.00 0.00 H new ATOM 885 N PHE A 55 18.953 10.540 -19.086 1.00 0.00 N ATOM 886 CA PHE A 55 19.831 11.213 -18.145 1.00 0.00 C ATOM 887 C PHE A 55 20.749 12.199 -18.863 1.00 0.00 C ATOM 888 O PHE A 55 21.192 13.184 -18.276 1.00 0.00 O ATOM 889 CB PHE A 55 20.662 10.177 -17.370 1.00 0.00 C ATOM 890 CG PHE A 55 21.263 10.704 -16.096 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.467 10.930 -14.987 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.620 10.965 -16.007 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.012 11.409 -13.814 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.172 11.445 -14.837 1.00 0.00 C ATOM 895 CZ PHE A 55 22.367 11.667 -13.738 1.00 0.00 C ATOM 0 H PHE A 55 19.106 9.533 -19.144 1.00 0.00 H new ATOM 0 HA PHE A 55 19.216 11.775 -17.442 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.029 9.322 -17.134 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.463 9.813 -18.014 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.407 10.729 -15.040 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.254 10.791 -16.864 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.380 11.582 -12.956 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.232 11.647 -14.781 1.00 0.00 H new ATOM 0 HZ PHE A 55 22.796 12.042 -12.820 1.00 0.00 H new ATOM 905 N LYS A 56 21.035 11.919 -20.125 1.00 0.00 N ATOM 906 CA LYS A 56 21.874 12.788 -20.938 1.00 0.00 C ATOM 907 C LYS A 56 21.223 14.176 -21.037 1.00 0.00 C ATOM 908 O LYS A 56 21.903 15.210 -20.947 1.00 0.00 O ATOM 909 CB LYS A 56 22.057 12.170 -22.327 1.00 0.00 C ATOM 910 CG LYS A 56 23.277 12.664 -23.082 1.00 0.00 C ATOM 911 CD LYS A 56 23.459 11.890 -24.380 1.00 0.00 C ATOM 912 CE LYS A 56 24.769 12.247 -25.070 1.00 0.00 C ATOM 913 NZ LYS A 56 24.838 13.680 -25.443 1.00 0.00 N ATOM 0 H LYS A 56 20.695 11.090 -20.612 1.00 0.00 H new ATOM 0 HA LYS A 56 22.856 12.896 -20.477 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.124 11.087 -22.223 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.168 12.378 -22.923 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.170 13.727 -23.299 1.00 0.00 H new ATOM 0 HG3 LYS A 56 24.165 12.553 -22.460 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.437 10.820 -24.172 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.625 12.102 -25.050 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.602 12.006 -24.410 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.884 11.635 -25.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.725 13.863 -25.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 24.031 13.919 -26.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.807 14.264 -24.583 1.00 0.00 H new ATOM 927 N GLN A 57 19.892 14.182 -21.197 1.00 0.00 N ATOM 928 CA GLN A 57 19.106 15.393 -21.226 1.00 0.00 C ATOM 929 C GLN A 57 19.247 16.133 -19.920 1.00 0.00 C ATOM 930 O GLN A 57 19.492 17.343 -19.889 1.00 0.00 O ATOM 931 CB GLN A 57 17.653 15.016 -21.397 1.00 0.00 C ATOM 932 CG GLN A 57 17.328 14.421 -22.737 1.00 0.00 C ATOM 933 CD GLN A 57 15.867 14.037 -22.887 1.00 0.00 C ATOM 934 OE1 GLN A 57 14.983 14.693 -22.348 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.610 12.970 -23.620 1.00 0.00 N ATOM 0 H GLN A 57 19.340 13.332 -21.310 1.00 0.00 H new ATOM 0 HA GLN A 57 19.449 16.026 -22.045 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.380 14.303 -20.619 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.038 15.903 -21.247 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.590 15.136 -23.517 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.946 13.537 -22.894 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.375 12.451 -24.052 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.646 12.664 -23.755 1.00 0.00 H new ATOM 944 N ILE A 58 19.118 15.383 -18.843 1.00 0.00 N ATOM 945 CA ILE A 58 19.186 15.932 -17.506 1.00 0.00 C ATOM 946 C ILE A 58 20.560 16.543 -17.234 1.00 0.00 C ATOM 947 O ILE A 58 20.663 17.639 -16.688 1.00 0.00 O ATOM 948 CB ILE A 58 18.891 14.831 -16.448 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.450 14.359 -16.549 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.161 15.332 -15.062 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.138 13.140 -15.700 1.00 0.00 C ATOM 0 H ILE A 58 18.963 14.375 -18.872 1.00 0.00 H new ATOM 0 HA ILE A 58 18.431 16.715 -17.431 1.00 0.00 H new ATOM 0 HB ILE A 58 19.555 13.991 -16.653 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.790 15.174 -16.252 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.226 14.130 -17.591 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.947 14.543 -14.342 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.208 15.625 -14.979 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.525 16.193 -14.856 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.091 12.866 -15.827 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.771 12.309 -16.011 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.328 13.369 -14.651 1.00 0.00 H new ATOM 963 N SER A 59 21.598 15.837 -17.648 1.00 0.00 N ATOM 964 CA SER A 59 22.971 16.252 -17.394 1.00 0.00 C ATOM 965 C SER A 59 23.277 17.644 -17.978 1.00 0.00 C ATOM 966 O SER A 59 23.855 18.493 -17.298 1.00 0.00 O ATOM 967 CB SER A 59 23.943 15.218 -17.974 1.00 0.00 C ATOM 968 OG SER A 59 23.689 13.917 -17.451 1.00 0.00 O ATOM 0 H SER A 59 21.516 14.963 -18.168 1.00 0.00 H new ATOM 0 HA SER A 59 23.098 16.316 -16.313 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.852 15.200 -19.060 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.968 15.511 -17.745 1.00 0.00 H new ATOM 0 HG SER A 59 22.831 13.589 -17.793 1.00 0.00 H new ATOM 974 N GLN A 60 22.872 17.878 -19.225 1.00 0.00 N ATOM 975 CA GLN A 60 23.139 19.134 -19.890 1.00 0.00 C ATOM 976 C GLN A 60 22.376 20.279 -19.263 1.00 0.00 C ATOM 977 O GLN A 60 22.945 21.333 -18.969 1.00 0.00 O ATOM 978 CB GLN A 60 22.780 19.007 -21.338 1.00 0.00 C ATOM 979 CG GLN A 60 23.626 18.009 -22.081 1.00 0.00 C ATOM 980 CD GLN A 60 23.243 17.886 -23.542 1.00 0.00 C ATOM 981 OE1 GLN A 60 22.813 18.852 -24.169 1.00 0.00 O ATOM 982 NE2 GLN A 60 23.395 16.698 -24.086 1.00 0.00 N ATOM 0 H GLN A 60 22.355 17.204 -19.791 1.00 0.00 H new ATOM 0 HA GLN A 60 24.200 19.358 -19.784 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.733 18.716 -21.420 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.879 19.982 -21.815 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.673 18.302 -22.008 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.534 17.034 -21.603 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.755 15.924 -23.528 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.152 16.551 -25.066 1.00 0.00 H new ATOM 991 N ALA A 61 21.092 20.077 -19.060 1.00 0.00 N ATOM 992 CA ALA A 61 20.259 21.102 -18.450 1.00 0.00 C ATOM 993 C ALA A 61 20.744 21.405 -17.044 1.00 0.00 C ATOM 994 O ALA A 61 20.825 22.555 -16.661 1.00 0.00 O ATOM 995 CB ALA A 61 18.803 20.680 -18.454 1.00 0.00 C ATOM 0 H ALA A 61 20.600 19.218 -19.306 1.00 0.00 H new ATOM 0 HA ALA A 61 20.339 22.016 -19.039 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.197 21.460 -17.994 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.473 20.522 -19.481 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.691 19.754 -17.891 1.00 0.00 H new ATOM 1001 N TYR A 62 21.098 20.364 -16.294 1.00 0.00 N ATOM 1002 CA TYR A 62 21.669 20.538 -14.968 1.00 0.00 C ATOM 1003 C TYR A 62 22.947 21.374 -15.034 1.00 0.00 C ATOM 1004 O TYR A 62 23.178 22.222 -14.186 1.00 0.00 O ATOM 1005 CB TYR A 62 21.970 19.180 -14.321 1.00 0.00 C ATOM 1006 CG TYR A 62 22.766 19.273 -13.032 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.230 19.880 -11.901 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.052 18.750 -12.947 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.953 19.963 -10.725 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.781 18.831 -11.774 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.227 19.438 -10.668 1.00 0.00 C ATOM 1012 OH TYR A 62 24.945 19.515 -9.493 1.00 0.00 O ATOM 0 H TYR A 62 20.998 19.392 -16.586 1.00 0.00 H new ATOM 0 HA TYR A 62 20.935 21.063 -14.356 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.029 18.669 -14.119 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.520 18.564 -15.032 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.233 20.293 -11.942 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.489 18.272 -13.812 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.522 20.437 -9.855 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.779 18.421 -11.725 1.00 0.00 H new ATOM 0 HH TYR A 62 25.823 19.098 -9.618 1.00 0.00 H new ATOM 1022 N GLU A 63 23.761 21.119 -16.052 1.00 0.00 N ATOM 1023 CA GLU A 63 25.026 21.819 -16.233 1.00 0.00 C ATOM 1024 C GLU A 63 24.850 23.338 -16.200 1.00 0.00 C ATOM 1025 O GLU A 63 25.544 24.042 -15.459 1.00 0.00 O ATOM 1026 CB GLU A 63 25.681 21.362 -17.536 1.00 0.00 C ATOM 1027 CG GLU A 63 26.998 22.031 -17.844 1.00 0.00 C ATOM 1028 CD GLU A 63 28.029 21.812 -16.768 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.540 20.678 -16.650 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.341 22.772 -16.043 1.00 0.00 O ATOM 0 H GLU A 63 23.563 20.424 -16.772 1.00 0.00 H new ATOM 0 HA GLU A 63 25.681 21.567 -15.399 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.838 20.284 -17.490 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.992 21.549 -18.359 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.381 21.650 -18.791 1.00 0.00 H new ATOM 0 HG3 GLU A 63 26.835 23.101 -17.973 1.00 0.00 H new ATOM 1037 N VAL A 64 23.932 23.831 -16.991 1.00 0.00 N ATOM 1038 CA VAL A 64 23.636 25.246 -17.040 1.00 0.00 C ATOM 1039 C VAL A 64 22.699 25.695 -15.882 1.00 0.00 C ATOM 1040 O VAL A 64 22.890 26.754 -15.316 1.00 0.00 O ATOM 1041 CB VAL A 64 23.078 25.633 -18.438 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.572 24.408 -19.174 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.992 26.663 -18.334 1.00 0.00 C ATOM 0 H VAL A 64 23.366 23.264 -17.622 1.00 0.00 H new ATOM 0 HA VAL A 64 24.569 25.789 -16.890 1.00 0.00 H new ATOM 0 HB VAL A 64 23.900 26.069 -19.006 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.186 24.703 -20.150 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.390 23.699 -19.306 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.776 23.939 -18.596 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.627 26.908 -19.331 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.172 26.268 -17.734 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.387 27.562 -17.861 1.00 0.00 H new ATOM 1053 N LEU A 65 21.720 24.865 -15.528 1.00 0.00 N ATOM 1054 CA LEU A 65 20.759 25.181 -14.450 1.00 0.00 C ATOM 1055 C LEU A 65 21.442 25.312 -13.088 1.00 0.00 C ATOM 1056 O LEU A 65 21.099 26.191 -12.298 1.00 0.00 O ATOM 1057 CB LEU A 65 19.595 24.168 -14.418 1.00 0.00 C ATOM 1058 CG LEU A 65 18.356 24.520 -15.300 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.749 24.915 -16.719 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.377 23.350 -15.338 1.00 0.00 C ATOM 0 H LEU A 65 21.563 23.959 -15.970 1.00 0.00 H new ATOM 0 HA LEU A 65 20.332 26.158 -14.677 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.976 23.197 -14.733 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.262 24.060 -13.386 1.00 0.00 H new ATOM 0 HG LEU A 65 17.874 25.383 -14.840 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.853 25.150 -17.293 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.399 25.789 -16.686 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.277 24.088 -17.194 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.519 23.613 -15.957 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.873 22.474 -15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.039 23.126 -14.326 1.00 0.00 H new ATOM 1072 N SER A 66 22.418 24.450 -12.823 1.00 0.00 N ATOM 1073 CA SER A 66 23.152 24.484 -11.559 1.00 0.00 C ATOM 1074 C SER A 66 24.040 25.724 -11.465 1.00 0.00 C ATOM 1075 O SER A 66 24.542 26.064 -10.390 1.00 0.00 O ATOM 1076 CB SER A 66 24.007 23.216 -11.396 1.00 0.00 C ATOM 1077 OG SER A 66 24.698 23.206 -10.148 1.00 0.00 O ATOM 0 H SER A 66 22.721 23.718 -13.466 1.00 0.00 H new ATOM 0 HA SER A 66 22.418 24.526 -10.754 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.369 22.335 -11.467 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.727 23.155 -12.212 1.00 0.00 H new ATOM 0 HG SER A 66 24.954 24.121 -9.908 1.00 0.00 H new ATOM 1083 N ASP A 67 24.245 26.386 -12.585 1.00 0.00 N ATOM 1084 CA ASP A 67 25.071 27.568 -12.617 1.00 0.00 C ATOM 1085 C ASP A 67 24.241 28.781 -12.998 1.00 0.00 C ATOM 1086 O ASP A 67 23.832 28.919 -14.141 1.00 0.00 O ATOM 1087 CB ASP A 67 26.216 27.385 -13.604 1.00 0.00 C ATOM 1088 CG ASP A 67 27.168 28.549 -13.590 1.00 0.00 C ATOM 1089 OD1 ASP A 67 28.057 28.580 -12.713 1.00 0.00 O ATOM 1090 OD2 ASP A 67 27.034 29.431 -14.439 1.00 0.00 O ATOM 0 H ASP A 67 23.848 26.122 -13.487 1.00 0.00 H new ATOM 0 HA ASP A 67 25.488 27.728 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.759 26.471 -13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.811 27.260 -14.608 1.00 0.00 H new ATOM 1095 N ALA A 68 24.000 29.663 -12.035 1.00 0.00 N ATOM 1096 CA ALA A 68 23.169 30.855 -12.259 1.00 0.00 C ATOM 1097 C ALA A 68 23.640 31.674 -13.457 1.00 0.00 C ATOM 1098 O ALA A 68 22.833 32.284 -14.150 1.00 0.00 O ATOM 1099 CB ALA A 68 23.121 31.723 -11.009 1.00 0.00 C ATOM 0 H ALA A 68 24.366 29.581 -11.087 1.00 0.00 H new ATOM 0 HA ALA A 68 22.163 30.501 -12.484 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.501 32.599 -11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.698 31.150 -10.184 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.130 32.042 -10.749 1.00 0.00 H new ATOM 1105 N LYS A 69 24.943 31.670 -13.706 1.00 0.00 N ATOM 1106 CA LYS A 69 25.509 32.419 -14.815 1.00 0.00 C ATOM 1107 C LYS A 69 25.055 31.827 -16.140 1.00 0.00 C ATOM 1108 O LYS A 69 24.447 32.514 -16.957 1.00 0.00 O ATOM 1109 CB LYS A 69 27.040 32.386 -14.744 1.00 0.00 C ATOM 1110 CG LYS A 69 27.733 32.983 -15.957 1.00 0.00 C ATOM 1111 CD LYS A 69 29.240 32.789 -15.885 1.00 0.00 C ATOM 1112 CE LYS A 69 29.920 33.333 -17.128 1.00 0.00 C ATOM 1113 NZ LYS A 69 31.388 33.100 -17.115 1.00 0.00 N ATOM 0 H LYS A 69 25.627 31.155 -13.152 1.00 0.00 H new ATOM 0 HA LYS A 69 25.163 33.450 -14.746 1.00 0.00 H new ATOM 0 HB2 LYS A 69 27.363 32.925 -13.853 1.00 0.00 H new ATOM 0 HB3 LYS A 69 27.365 31.352 -14.626 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.347 32.518 -16.864 1.00 0.00 H new ATOM 0 HG3 LYS A 69 27.504 34.047 -16.022 1.00 0.00 H new ATOM 0 HD2 LYS A 69 29.633 33.292 -15.002 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.469 31.729 -15.776 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.487 32.863 -18.011 1.00 0.00 H new ATOM 0 HE3 LYS A 69 29.725 34.402 -17.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.809 33.488 -17.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 31.807 33.570 -16.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.577 32.078 -17.066 1.00 0.00 H new ATOM 1127 N LYS A 70 25.315 30.540 -16.324 1.00 0.00 N ATOM 1128 CA LYS A 70 24.968 29.859 -17.544 1.00 0.00 C ATOM 1129 C LYS A 70 23.462 29.826 -17.706 1.00 0.00 C ATOM 1130 O LYS A 70 22.937 30.001 -18.807 1.00 0.00 O ATOM 1131 CB LYS A 70 25.563 28.458 -17.523 1.00 0.00 C ATOM 1132 CG LYS A 70 27.088 28.480 -17.494 1.00 0.00 C ATOM 1133 CD LYS A 70 27.693 27.103 -17.282 1.00 0.00 C ATOM 1134 CE LYS A 70 27.395 26.176 -18.433 1.00 0.00 C ATOM 1135 NZ LYS A 70 28.128 24.894 -18.302 1.00 0.00 N ATOM 0 H LYS A 70 25.771 29.949 -15.629 1.00 0.00 H new ATOM 0 HA LYS A 70 25.379 30.392 -18.401 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.192 27.921 -16.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.226 27.909 -18.402 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.459 28.894 -18.432 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.422 29.145 -16.698 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.772 27.195 -17.160 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.303 26.673 -16.359 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.323 25.981 -18.476 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.669 26.659 -19.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.800 24.230 -19.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 29.147 25.063 -18.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.952 24.488 -17.361 1.00 0.00 H new ATOM 1149 N ARG A 71 22.781 29.614 -16.591 1.00 0.00 N ATOM 1150 CA ARG A 71 21.331 29.585 -16.557 1.00 0.00 C ATOM 1151 C ARG A 71 20.736 30.895 -17.052 1.00 0.00 C ATOM 1152 O ARG A 71 19.806 30.902 -17.856 1.00 0.00 O ATOM 1153 CB ARG A 71 20.849 29.344 -15.128 1.00 0.00 C ATOM 1154 CG ARG A 71 19.341 29.339 -15.005 1.00 0.00 C ATOM 1155 CD ARG A 71 18.892 29.193 -13.569 1.00 0.00 C ATOM 1156 NE ARG A 71 17.440 29.298 -13.460 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.788 29.810 -12.411 1.00 0.00 C ATOM 1158 NH1 ARG A 71 17.454 30.195 -11.319 1.00 0.00 N ATOM 1159 NH2 ARG A 71 15.471 29.922 -12.450 1.00 0.00 N ATOM 0 H ARG A 71 23.220 29.457 -15.684 1.00 0.00 H new ATOM 0 HA ARG A 71 21.004 28.778 -17.212 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.240 28.390 -14.775 1.00 0.00 H new ATOM 0 HB3 ARG A 71 21.258 30.117 -14.477 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.940 30.265 -15.418 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.931 28.521 -15.598 1.00 0.00 H new ATOM 0 HD2 ARG A 71 19.221 28.230 -13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.363 29.963 -12.957 1.00 0.00 H new ATOM 0 HE ARG A 71 16.882 28.955 -14.242 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.469 30.100 -11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.948 30.584 -10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.958 29.618 -13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.968 30.312 -11.653 1.00 0.00 H new ATOM 1173 N GLU A 72 21.293 31.996 -16.590 1.00 0.00 N ATOM 1174 CA GLU A 72 20.763 33.281 -16.895 1.00 0.00 C ATOM 1175 C GLU A 72 21.028 33.659 -18.324 1.00 0.00 C ATOM 1176 O GLU A 72 20.170 34.241 -18.988 1.00 0.00 O ATOM 1177 CB GLU A 72 21.293 34.330 -15.927 1.00 0.00 C ATOM 1178 CG GLU A 72 20.748 35.696 -16.207 1.00 0.00 C ATOM 1179 CD GLU A 72 20.967 36.676 -15.085 1.00 0.00 C ATOM 1180 OE1 GLU A 72 20.227 36.600 -14.084 1.00 0.00 O ATOM 1181 OE2 GLU A 72 21.854 37.556 -15.208 1.00 0.00 O ATOM 0 H GLU A 72 22.122 32.011 -15.996 1.00 0.00 H new ATOM 0 HA GLU A 72 19.681 33.236 -16.773 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.036 34.042 -14.908 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.381 34.357 -15.986 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.213 36.085 -17.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.679 35.618 -16.406 1.00 0.00 H new ATOM 1188 N LEU A 73 22.207 33.324 -18.809 1.00 0.00 N ATOM 1189 CA LEU A 73 22.549 33.615 -20.162 1.00 0.00 C ATOM 1190 C LEU A 73 21.671 32.804 -21.098 1.00 0.00 C ATOM 1191 O LEU A 73 21.258 33.285 -22.152 1.00 0.00 O ATOM 1192 CB LEU A 73 24.016 33.318 -20.410 1.00 0.00 C ATOM 1193 CG LEU A 73 24.993 33.934 -19.405 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.421 33.782 -19.874 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.654 35.389 -19.119 1.00 0.00 C ATOM 0 H LEU A 73 22.936 32.850 -18.276 1.00 0.00 H new ATOM 0 HA LEU A 73 22.380 34.675 -20.354 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.155 32.237 -20.409 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.277 33.672 -21.407 1.00 0.00 H new ATOM 0 HG LEU A 73 24.892 33.388 -18.467 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.094 34.228 -19.142 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.657 32.724 -19.986 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.544 34.284 -20.833 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.368 35.795 -18.402 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.704 35.963 -20.044 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.648 35.454 -18.706 1.00 0.00 H new ATOM 1207 N TYR A 74 21.402 31.556 -20.712 1.00 0.00 N ATOM 1208 CA TYR A 74 20.550 30.687 -21.496 1.00 0.00 C ATOM 1209 C TYR A 74 19.129 31.240 -21.572 1.00 0.00 C ATOM 1210 O TYR A 74 18.525 31.269 -22.645 1.00 0.00 O ATOM 1211 CB TYR A 74 20.547 29.263 -20.954 1.00 0.00 C ATOM 1212 CG TYR A 74 20.223 28.249 -22.024 1.00 0.00 C ATOM 1213 CD1 TYR A 74 21.236 27.706 -22.804 1.00 0.00 C ATOM 1214 CD2 TYR A 74 18.914 27.860 -22.282 1.00 0.00 C ATOM 1215 CE1 TYR A 74 20.959 26.809 -23.810 1.00 0.00 C ATOM 1216 CE2 TYR A 74 18.630 26.954 -23.285 1.00 0.00 C ATOM 1217 CZ TYR A 74 19.658 26.434 -24.047 1.00 0.00 C ATOM 1218 OH TYR A 74 19.379 25.549 -25.061 1.00 0.00 O ATOM 0 H TYR A 74 21.766 31.132 -19.859 1.00 0.00 H new ATOM 0 HA TYR A 74 20.960 30.654 -22.505 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.523 29.037 -20.525 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.818 29.184 -20.148 1.00 0.00 H new ATOM 0 HD1 TYR A 74 22.260 27.993 -22.617 1.00 0.00 H new ATOM 0 HD2 TYR A 74 18.109 28.271 -21.691 1.00 0.00 H new ATOM 0 HE1 TYR A 74 21.759 26.402 -24.410 1.00 0.00 H new ATOM 0 HE2 TYR A 74 17.610 26.654 -23.472 1.00 0.00 H new ATOM 0 HH TYR A 74 19.131 24.681 -24.679 1.00 0.00 H new ATOM 1228 N ASP A 75 18.596 31.672 -20.422 1.00 0.00 N ATOM 1229 CA ASP A 75 17.261 32.292 -20.382 1.00 0.00 C ATOM 1230 C ASP A 75 17.245 33.555 -21.211 1.00 0.00 C ATOM 1231 O ASP A 75 16.238 33.887 -21.841 1.00 0.00 O ATOM 1232 CB ASP A 75 16.803 32.611 -18.942 1.00 0.00 C ATOM 1233 CG ASP A 75 16.129 31.443 -18.236 1.00 0.00 C ATOM 1234 OD1 ASP A 75 15.039 31.024 -18.683 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.649 30.978 -17.197 1.00 0.00 O ATOM 0 H ASP A 75 19.060 31.606 -19.516 1.00 0.00 H new ATOM 0 HA ASP A 75 16.562 31.567 -20.798 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.668 32.926 -18.358 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.112 33.454 -18.969 1.00 0.00 H new ATOM 1240 N LYS A 76 18.359 34.270 -21.193 1.00 0.00 N ATOM 1241 CA LYS A 76 18.502 35.484 -21.978 1.00 0.00 C ATOM 1242 C LYS A 76 18.449 35.170 -23.473 1.00 0.00 C ATOM 1243 O LYS A 76 17.739 35.832 -24.239 1.00 0.00 O ATOM 1244 CB LYS A 76 19.823 36.189 -21.641 1.00 0.00 C ATOM 1245 CG LYS A 76 20.047 37.473 -22.420 1.00 0.00 C ATOM 1246 CD LYS A 76 21.401 38.087 -22.113 1.00 0.00 C ATOM 1247 CE LYS A 76 21.602 39.375 -22.887 1.00 0.00 C ATOM 1248 NZ LYS A 76 22.953 39.940 -22.679 1.00 0.00 N ATOM 0 H LYS A 76 19.181 34.028 -20.640 1.00 0.00 H new ATOM 0 HA LYS A 76 17.673 36.147 -21.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.843 36.414 -20.575 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.649 35.506 -21.838 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.974 37.268 -23.488 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.260 38.187 -22.178 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.481 38.285 -21.044 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.191 37.380 -22.366 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.447 39.188 -23.950 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.853 40.104 -22.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.049 40.820 -23.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 23.093 40.143 -21.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.668 39.255 -22.997 1.00 0.00 H new ATOM 1262 N GLY A 77 19.183 34.148 -23.871 1.00 0.00 N ATOM 1263 CA GLY A 77 19.258 33.773 -25.262 1.00 0.00 C ATOM 1264 C GLY A 77 20.521 32.998 -25.564 1.00 0.00 C ATOM 1265 O GLY A 77 20.475 31.751 -25.578 1.00 0.00 O ATOM 1266 OXT GLY A 77 21.580 33.633 -25.762 1.00 0.00 O ATOM 0 H GLY A 77 19.736 33.563 -23.244 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.389 33.169 -25.524 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.223 34.668 -25.883 1.00 0.00 H new TER 1270 GLY A 77