USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 769 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 156:sc= -0.236 (180deg=-1.25) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.345 (180deg=-1.37) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 71:sc= 0.405 USER MOD Single : A 15 MET CE :methyl -179:sc= -1.22 (180deg=-1.23) USER MOD Single : A 18 GLN : amide:sc= -0.0245 K(o=-0.025,f=-1.6!) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.57! C(o=-3.9!,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.0383 (180deg=-0.535) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -1.39 (180deg=-1.81) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.507 USER MOD Single : A 28 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.0021) USER MOD Single : A 31 TYR OH : rot -45:sc= -3.09! USER MOD Single : A 32 GLN :FLIP amide:sc= -0.146 F(o=-1.5!,f=-0.15) USER MOD Single : A 35 MET CE :methyl 158:sc=-0.00746 (180deg=-0.0411) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.54) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= 0.147 (180deg=-0.0805) USER MOD Single : A 46 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.91) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0419 F(o=-1.5!,f=-0.042) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= -3.13! C(o=-3.1!,f=-4.8!) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0127 F(o=-1.7!,f=-0.013) USER MOD Single : A 57 SER OG : rot -44:sc= 0.832 USER MOD Single : A 59 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.65) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0388 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -4.25! (180deg=-5.84!) USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= -0.0478 (180deg=-0.471) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -94:sc= 0.867 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.624 USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.133 K(o=-0.13,f=-6.3!) USER MOD Single : A 92 SER OG : rot 68:sc= 0.891 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.595 16.061 1.955 1.00 2.94 N ATOM 2 CA MET A 1 -23.886 16.098 3.266 1.00 2.23 C ATOM 3 C MET A 1 -22.639 15.219 3.195 1.00 1.94 C ATOM 4 O MET A 1 -22.081 14.824 4.199 1.00 2.16 O ATOM 5 CB MET A 1 -24.812 15.576 4.361 1.00 2.94 C ATOM 6 CG MET A 1 -25.479 14.279 3.898 1.00 3.46 C ATOM 7 SD MET A 1 -26.542 13.636 5.217 1.00 4.49 S ATOM 8 CE MET A 1 -27.754 14.981 5.241 1.00 4.81 C ATOM 0 H1 MET A 1 -25.573 16.392 2.080 1.00 2.94 H new ATOM 0 H2 MET A 1 -24.104 16.679 1.277 1.00 2.94 H new ATOM 0 H3 MET A 1 -24.603 15.086 1.592 1.00 2.94 H new ATOM 0 HA MET A 1 -23.597 17.124 3.493 1.00 2.23 H new ATOM 0 HB2 MET A 1 -24.246 15.399 5.275 1.00 2.94 H new ATOM 0 HB3 MET A 1 -25.571 16.323 4.596 1.00 2.94 H new ATOM 0 HG2 MET A 1 -26.068 14.462 2.999 1.00 3.46 H new ATOM 0 HG3 MET A 1 -24.720 13.541 3.637 1.00 3.46 H new ATOM 0 HE1 MET A 1 -28.696 14.615 5.650 1.00 4.81 H new ATOM 0 HE2 MET A 1 -27.381 15.796 5.862 1.00 4.81 H new ATOM 0 HE3 MET A 1 -27.916 15.343 4.226 1.00 4.81 H new ATOM 20 N LEU A 2 -22.212 14.912 2.003 1.00 1.58 N ATOM 21 CA LEU A 2 -21.002 14.053 1.808 1.00 1.33 C ATOM 22 C LEU A 2 -19.932 14.852 1.060 1.00 1.26 C ATOM 23 O LEU A 2 -20.233 15.623 0.171 1.00 1.38 O ATOM 24 CB LEU A 2 -21.383 12.834 0.966 1.00 1.20 C ATOM 25 CG LEU A 2 -22.477 12.024 1.673 1.00 1.42 C ATOM 26 CD1 LEU A 2 -23.003 10.946 0.720 1.00 1.51 C ATOM 27 CD2 LEU A 2 -21.915 11.358 2.937 1.00 1.71 C ATOM 0 H LEU A 2 -22.655 15.223 1.139 1.00 1.58 H new ATOM 0 HA LEU A 2 -20.620 13.734 2.778 1.00 1.33 H new ATOM 0 HB2 LEU A 2 -21.734 13.155 -0.014 1.00 1.20 H new ATOM 0 HB3 LEU A 2 -20.506 12.208 0.801 1.00 1.20 H new ATOM 0 HG LEU A 2 -23.287 12.695 1.959 1.00 1.42 H new ATOM 0 HD11 LEU A 2 -23.781 10.368 1.219 1.00 1.51 H new ATOM 0 HD12 LEU A 2 -23.417 11.418 -0.171 1.00 1.51 H new ATOM 0 HD13 LEU A 2 -22.186 10.284 0.433 1.00 1.51 H new ATOM 0 HD21 LEU A 2 -22.703 10.787 3.428 1.00 1.71 H new ATOM 0 HD22 LEU A 2 -21.099 10.690 2.664 1.00 1.71 H new ATOM 0 HD23 LEU A 2 -21.544 12.124 3.618 1.00 1.71 H new ATOM 39 N VAL A 3 -18.683 14.673 1.412 1.00 1.21 N ATOM 40 CA VAL A 3 -17.584 15.417 0.721 1.00 1.22 C ATOM 41 C VAL A 3 -16.405 14.476 0.461 1.00 0.99 C ATOM 42 O VAL A 3 -16.263 13.448 1.094 1.00 0.93 O ATOM 43 CB VAL A 3 -17.116 16.573 1.606 1.00 1.52 C ATOM 44 CG1 VAL A 3 -18.298 17.489 1.925 1.00 1.79 C ATOM 45 CG2 VAL A 3 -16.532 16.016 2.906 1.00 1.68 C ATOM 0 H VAL A 3 -18.376 14.041 2.151 1.00 1.21 H new ATOM 0 HA VAL A 3 -17.956 15.805 -0.227 1.00 1.22 H new ATOM 0 HB VAL A 3 -16.351 17.144 1.080 1.00 1.52 H new ATOM 0 HG11 VAL A 3 -17.961 18.312 2.556 1.00 1.79 H new ATOM 0 HG12 VAL A 3 -18.710 17.888 0.998 1.00 1.79 H new ATOM 0 HG13 VAL A 3 -19.067 16.921 2.449 1.00 1.79 H new ATOM 0 HG21 VAL A 3 -16.198 16.840 3.537 1.00 1.68 H new ATOM 0 HG22 VAL A 3 -17.296 15.442 3.431 1.00 1.68 H new ATOM 0 HG23 VAL A 3 -15.686 15.369 2.677 1.00 1.68 H new ATOM 55 N LYS A 4 -15.551 14.829 -0.461 1.00 0.99 N ATOM 56 CA LYS A 4 -14.369 13.973 -0.767 1.00 0.86 C ATOM 57 C LYS A 4 -13.221 14.341 0.190 1.00 0.78 C ATOM 58 O LYS A 4 -12.741 15.457 0.154 1.00 0.97 O ATOM 59 CB LYS A 4 -13.916 14.258 -2.202 1.00 1.03 C ATOM 60 CG LYS A 4 -14.949 13.711 -3.198 1.00 1.55 C ATOM 61 CD LYS A 4 -14.832 14.450 -4.535 1.00 2.26 C ATOM 62 CE LYS A 4 -13.456 14.192 -5.153 1.00 2.96 C ATOM 63 NZ LYS A 4 -13.401 14.803 -6.511 1.00 3.69 N ATOM 0 H LYS A 4 -15.622 15.680 -1.019 1.00 0.99 H new ATOM 0 HA LYS A 4 -14.631 12.921 -0.651 1.00 0.86 H new ATOM 0 HB2 LYS A 4 -13.792 15.331 -2.347 1.00 1.03 H new ATOM 0 HB3 LYS A 4 -12.945 13.798 -2.384 1.00 1.03 H new ATOM 0 HG2 LYS A 4 -14.791 12.643 -3.349 1.00 1.55 H new ATOM 0 HG3 LYS A 4 -15.954 13.831 -2.794 1.00 1.55 H new ATOM 0 HD2 LYS A 4 -15.615 14.115 -5.216 1.00 2.26 H new ATOM 0 HD3 LYS A 4 -14.978 15.520 -4.383 1.00 2.26 H new ATOM 0 HE2 LYS A 4 -12.676 14.615 -4.520 1.00 2.96 H new ATOM 0 HE3 LYS A 4 -13.269 13.120 -5.217 1.00 2.96 H new ATOM 0 HZ1 LYS A 4 -12.466 14.629 -6.933 1.00 3.69 H new ATOM 0 HZ2 LYS A 4 -14.136 14.380 -7.112 1.00 3.69 H new ATOM 0 HZ3 LYS A 4 -13.562 15.828 -6.437 1.00 3.69 H new ATOM 77 N PRO A 5 -12.759 13.443 1.034 1.00 0.59 N ATOM 78 CA PRO A 5 -11.638 13.762 1.968 1.00 0.58 C ATOM 79 C PRO A 5 -10.448 14.393 1.222 1.00 0.56 C ATOM 80 O PRO A 5 -10.246 14.130 0.053 1.00 0.67 O ATOM 81 CB PRO A 5 -11.251 12.400 2.560 1.00 0.62 C ATOM 82 CG PRO A 5 -12.488 11.569 2.460 1.00 0.73 C ATOM 83 CD PRO A 5 -13.235 12.057 1.213 1.00 0.58 C ATOM 0 HA PRO A 5 -11.926 14.488 2.728 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.427 11.949 2.007 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -10.924 12.498 3.595 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -12.240 10.511 2.375 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -13.105 11.681 3.352 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -13.006 11.441 0.344 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -14.315 12.021 1.354 1.00 0.58 H new ATOM 91 N PRO A 6 -9.669 15.221 1.876 1.00 0.55 N ATOM 92 CA PRO A 6 -8.496 15.889 1.235 1.00 0.57 C ATOM 93 C PRO A 6 -7.293 14.949 1.067 1.00 0.51 C ATOM 94 O PRO A 6 -6.294 15.313 0.479 1.00 0.70 O ATOM 95 CB PRO A 6 -8.165 17.021 2.213 1.00 0.67 C ATOM 96 CG PRO A 6 -8.572 16.488 3.547 1.00 0.84 C ATOM 97 CD PRO A 6 -9.807 15.619 3.290 1.00 0.68 C ATOM 0 HA PRO A 6 -8.722 16.227 0.224 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -7.104 17.268 2.191 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.710 17.932 1.966 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.769 15.903 3.996 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.801 17.299 4.239 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.830 14.751 3.949 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.729 16.174 3.461 1.00 0.68 H new ATOM 105 N TYR A 7 -7.372 13.752 1.582 1.00 0.42 N ATOM 106 CA TYR A 7 -6.225 12.809 1.452 1.00 0.36 C ATOM 107 C TYR A 7 -6.088 12.358 -0.002 1.00 0.34 C ATOM 108 O TYR A 7 -7.064 12.129 -0.688 1.00 0.36 O ATOM 109 CB TYR A 7 -6.468 11.582 2.330 1.00 0.34 C ATOM 110 CG TYR A 7 -6.750 12.023 3.747 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.715 12.514 4.551 1.00 1.12 C ATOM 112 CD2 TYR A 7 -8.050 11.937 4.257 1.00 1.10 C ATOM 113 CE1 TYR A 7 -5.982 12.921 5.864 1.00 1.15 C ATOM 114 CE2 TYR A 7 -8.319 12.343 5.567 1.00 1.11 C ATOM 115 CZ TYR A 7 -7.285 12.836 6.372 1.00 0.47 C ATOM 116 OH TYR A 7 -7.547 13.236 7.666 1.00 0.54 O ATOM 0 H TYR A 7 -8.180 13.387 2.086 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.312 13.315 1.767 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.309 11.006 1.943 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.596 10.928 2.308 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.711 12.579 4.159 1.00 1.12 H new ATOM 0 HD2 TYR A 7 -8.848 11.556 3.637 1.00 1.10 H new ATOM 0 HE1 TYR A 7 -5.184 13.300 6.485 1.00 1.15 H new ATOM 0 HE2 TYR A 7 -9.324 12.277 5.958 1.00 1.11 H new ATOM 0 HH TYR A 7 -8.500 13.113 7.860 1.00 0.54 H new ATOM 126 N SER A 8 -4.879 12.213 -0.470 1.00 0.35 N ATOM 127 CA SER A 8 -4.669 11.760 -1.872 1.00 0.38 C ATOM 128 C SER A 8 -5.062 10.285 -1.977 1.00 0.32 C ATOM 129 O SER A 8 -5.137 9.587 -0.985 1.00 0.30 O ATOM 130 CB SER A 8 -3.196 11.930 -2.247 1.00 0.46 C ATOM 131 OG SER A 8 -2.826 13.293 -2.089 1.00 1.39 O ATOM 0 H SER A 8 -4.026 12.389 0.060 1.00 0.35 H new ATOM 0 HA SER A 8 -5.280 12.353 -2.552 1.00 0.38 H new ATOM 0 HB2 SER A 8 -2.573 11.296 -1.616 1.00 0.46 H new ATOM 0 HB3 SER A 8 -3.032 11.614 -3.277 1.00 0.46 H new ATOM 0 HG SER A 8 -1.882 13.405 -2.327 1.00 1.39 H new ATOM 137 N TYR A 9 -5.322 9.801 -3.162 1.00 0.34 N ATOM 138 CA TYR A 9 -5.715 8.370 -3.300 1.00 0.34 C ATOM 139 C TYR A 9 -4.580 7.494 -2.763 1.00 0.35 C ATOM 140 O TYR A 9 -4.808 6.509 -2.089 1.00 0.36 O ATOM 141 CB TYR A 9 -5.964 8.042 -4.777 1.00 0.39 C ATOM 142 CG TYR A 9 -7.317 8.570 -5.198 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.468 7.796 -5.000 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.419 9.833 -5.793 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.718 8.285 -5.396 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.670 10.322 -6.188 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.819 9.548 -5.989 1.00 0.44 C ATOM 148 OH TYR A 9 -11.052 10.027 -6.381 1.00 0.50 O ATOM 0 H TYR A 9 -5.280 10.330 -4.033 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.629 8.181 -2.736 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.182 8.485 -5.394 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.920 6.964 -4.932 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.390 6.821 -4.541 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.533 10.430 -5.947 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.605 7.687 -5.244 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.748 11.297 -6.646 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.947 10.919 -6.774 1.00 0.50 H new ATOM 158 N ILE A 10 -3.357 7.858 -3.037 1.00 0.38 N ATOM 159 CA ILE A 10 -2.209 7.059 -2.525 1.00 0.42 C ATOM 160 C ILE A 10 -2.121 7.228 -1.006 1.00 0.38 C ATOM 161 O ILE A 10 -1.837 6.295 -0.281 1.00 0.39 O ATOM 162 CB ILE A 10 -0.911 7.534 -3.186 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.971 7.225 -4.685 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.282 6.804 -2.564 1.00 0.51 C ATOM 165 CD1 ILE A 10 0.200 7.898 -5.403 1.00 0.96 C ATOM 0 H ILE A 10 -3.104 8.674 -3.593 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.356 6.006 -2.764 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.795 8.607 -3.033 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -0.936 6.147 -4.845 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -1.915 7.578 -5.100 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.203 7.144 -3.037 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.322 7.017 -1.496 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.171 5.730 -2.716 1.00 0.51 H new ATOM 0 HD11 ILE A 10 0.151 7.674 -6.469 1.00 0.96 H new ATOM 0 HD12 ILE A 10 0.145 8.977 -5.256 1.00 0.96 H new ATOM 0 HD13 ILE A 10 1.140 7.524 -4.997 1.00 0.96 H new ATOM 177 N ALA A 11 -2.353 8.419 -0.521 1.00 0.36 N ATOM 178 CA ALA A 11 -2.278 8.663 0.950 1.00 0.36 C ATOM 179 C ALA A 11 -3.289 7.780 1.687 1.00 0.32 C ATOM 180 O ALA A 11 -2.988 7.214 2.719 1.00 0.32 O ATOM 181 CB ALA A 11 -2.599 10.134 1.231 1.00 0.38 C ATOM 0 H ALA A 11 -2.592 9.236 -1.082 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.274 8.423 1.300 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.546 10.319 2.304 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.877 10.769 0.717 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.603 10.362 0.872 1.00 0.38 H new ATOM 187 N LEU A 12 -4.483 7.655 1.176 1.00 0.32 N ATOM 188 CA LEU A 12 -5.494 6.804 1.866 1.00 0.31 C ATOM 189 C LEU A 12 -4.962 5.374 1.951 1.00 0.30 C ATOM 190 O LEU A 12 -5.124 4.695 2.945 1.00 0.32 O ATOM 191 CB LEU A 12 -6.796 6.805 1.062 1.00 0.33 C ATOM 192 CG LEU A 12 -7.435 8.199 1.086 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.552 8.248 0.041 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.023 8.500 2.476 1.00 0.36 C ATOM 0 H LEU A 12 -4.801 8.102 0.316 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.682 7.195 2.866 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.596 6.507 0.033 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.488 6.073 1.477 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.673 8.946 0.862 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.014 9.235 0.049 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.135 8.050 -0.947 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.303 7.494 0.276 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.472 9.493 2.474 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.784 7.758 2.717 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.230 8.462 3.223 1.00 0.36 H new ATOM 206 N ILE A 13 -4.328 4.915 0.909 1.00 0.31 N ATOM 207 CA ILE A 13 -3.784 3.530 0.916 1.00 0.32 C ATOM 208 C ILE A 13 -2.624 3.456 1.911 1.00 0.29 C ATOM 209 O ILE A 13 -2.467 2.489 2.629 1.00 0.30 O ATOM 210 CB ILE A 13 -3.260 3.195 -0.481 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.407 3.295 -1.493 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.703 1.770 -0.488 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.863 3.209 -2.925 1.00 0.49 C ATOM 0 H ILE A 13 -4.163 5.441 0.051 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.565 2.825 1.201 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.471 3.897 -0.751 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.124 2.493 -1.320 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.941 4.235 -1.356 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.329 1.530 -1.483 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.889 1.694 0.233 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.493 1.069 -0.219 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.689 3.281 -3.633 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.164 4.027 -3.098 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.350 2.257 -3.063 1.00 0.49 H new ATOM 225 N THR A 14 -1.808 4.473 1.949 1.00 0.29 N ATOM 226 CA THR A 14 -0.647 4.475 2.883 1.00 0.31 C ATOM 227 C THR A 14 -1.128 4.492 4.336 1.00 0.32 C ATOM 228 O THR A 14 -0.567 3.836 5.192 1.00 0.34 O ATOM 229 CB THR A 14 0.210 5.714 2.621 1.00 0.35 C ATOM 230 OG1 THR A 14 0.677 5.689 1.280 1.00 0.37 O ATOM 231 CG2 THR A 14 1.402 5.723 3.579 1.00 0.39 C ATOM 0 H THR A 14 -1.896 5.308 1.370 1.00 0.29 H new ATOM 0 HA THR A 14 -0.060 3.572 2.717 1.00 0.31 H new ATOM 0 HB THR A 14 -0.388 6.611 2.781 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.071 5.859 0.670 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.013 6.606 3.392 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.042 5.742 4.608 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.002 4.827 3.421 1.00 0.39 H new ATOM 239 N MET A 15 -2.153 5.244 4.626 1.00 0.33 N ATOM 240 CA MET A 15 -2.660 5.310 6.027 1.00 0.37 C ATOM 241 C MET A 15 -3.316 3.982 6.403 1.00 0.34 C ATOM 242 O MET A 15 -3.210 3.520 7.520 1.00 0.36 O ATOM 243 CB MET A 15 -3.685 6.439 6.152 1.00 0.44 C ATOM 244 CG MET A 15 -2.979 7.792 6.035 1.00 0.49 C ATOM 245 SD MET A 15 -4.138 9.121 6.450 1.00 0.67 S ATOM 246 CE MET A 15 -5.196 8.984 4.989 1.00 1.14 C ATOM 0 H MET A 15 -2.663 5.817 3.953 1.00 0.33 H new ATOM 0 HA MET A 15 -1.825 5.503 6.700 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.442 6.344 5.373 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.202 6.369 7.109 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.119 7.824 6.704 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.600 7.929 5.022 1.00 0.49 H new ATOM 0 HE1 MET A 15 -5.981 9.739 5.036 1.00 1.14 H new ATOM 0 HE2 MET A 15 -4.598 9.137 4.091 1.00 1.14 H new ATOM 0 HE3 MET A 15 -5.648 7.993 4.959 1.00 1.14 H new ATOM 256 N ALA A 16 -4.007 3.374 5.481 1.00 0.32 N ATOM 257 CA ALA A 16 -4.689 2.085 5.783 1.00 0.31 C ATOM 258 C ALA A 16 -3.660 1.034 6.210 1.00 0.29 C ATOM 259 O ALA A 16 -3.847 0.331 7.184 1.00 0.31 O ATOM 260 CB ALA A 16 -5.412 1.607 4.524 1.00 0.31 C ATOM 0 H ALA A 16 -4.130 3.715 4.528 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.402 2.230 6.595 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.916 0.663 4.730 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.147 2.353 4.221 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.689 1.464 3.721 1.00 0.31 H new ATOM 266 N ILE A 17 -2.577 0.921 5.493 1.00 0.27 N ATOM 267 CA ILE A 17 -1.537 -0.085 5.856 1.00 0.28 C ATOM 268 C ILE A 17 -1.030 0.222 7.263 1.00 0.30 C ATOM 269 O ILE A 17 -0.943 -0.637 8.118 1.00 0.33 O ATOM 270 CB ILE A 17 -0.367 0.036 4.877 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.873 -0.225 3.460 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.710 -0.997 5.226 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.199 0.188 2.450 1.00 0.32 C ATOM 0 H ILE A 17 -2.366 1.483 4.669 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.958 -1.090 5.815 1.00 0.28 H new ATOM 0 HB ILE A 17 0.059 1.037 4.943 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.115 -1.281 3.338 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.791 0.335 3.281 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.541 -0.907 4.526 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.069 -0.820 6.240 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.287 -2.000 5.160 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.163 0.001 1.439 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.419 1.249 2.567 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.105 -0.392 2.624 1.00 0.32 H new ATOM 285 N GLN A 18 -0.684 1.456 7.486 1.00 0.32 N ATOM 286 CA GLN A 18 -0.158 1.881 8.815 1.00 0.36 C ATOM 287 C GLN A 18 -1.254 1.801 9.883 1.00 0.36 C ATOM 288 O GLN A 18 -1.005 1.420 11.010 1.00 0.38 O ATOM 289 CB GLN A 18 0.341 3.322 8.704 1.00 0.44 C ATOM 290 CG GLN A 18 1.609 3.351 7.847 1.00 0.51 C ATOM 291 CD GLN A 18 1.977 4.799 7.522 1.00 1.09 C ATOM 292 OE1 GLN A 18 1.116 5.652 7.431 1.00 1.76 O ATOM 293 NE2 GLN A 18 3.230 5.116 7.344 1.00 1.82 N ATOM 0 H GLN A 18 -0.744 2.202 6.793 1.00 0.32 H new ATOM 0 HA GLN A 18 0.655 1.217 9.108 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.428 3.952 8.258 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.548 3.725 9.695 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.429 2.867 8.377 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.450 2.790 6.926 1.00 0.51 H new ATOM 0 HE21 GLN A 18 3.953 4.400 7.420 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.487 6.079 7.129 1.00 1.82 H new ATOM 302 N ASN A 19 -2.457 2.176 9.548 1.00 0.37 N ATOM 303 CA ASN A 19 -3.558 2.143 10.554 1.00 0.42 C ATOM 304 C ASN A 19 -3.881 0.694 10.923 1.00 0.43 C ATOM 305 O ASN A 19 -4.478 0.421 11.946 1.00 0.58 O ATOM 306 CB ASN A 19 -4.802 2.809 9.966 1.00 0.51 C ATOM 307 CG ASN A 19 -4.537 4.304 9.780 1.00 0.84 C ATOM 308 OD1 ASN A 19 -3.347 4.779 10.028 1.00 1.67 O flip ATOM 309 ND2 ASN A 19 -5.419 5.047 9.394 1.00 1.28 N flip ATOM 0 H ASN A 19 -2.727 2.504 8.621 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.244 2.679 11.450 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.055 2.351 9.010 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.655 2.659 10.627 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -6.349 4.677 9.200 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -5.228 6.041 9.264 1.00 1.28 H new ATOM 316 N ALA A 20 -3.495 -0.237 10.097 1.00 0.39 N ATOM 317 CA ALA A 20 -3.780 -1.670 10.394 1.00 0.47 C ATOM 318 C ALA A 20 -2.772 -2.183 11.431 1.00 0.53 C ATOM 319 O ALA A 20 -1.648 -1.723 11.472 1.00 0.63 O ATOM 320 CB ALA A 20 -3.627 -2.477 9.101 1.00 0.49 C ATOM 0 H ALA A 20 -2.993 -0.068 9.226 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.791 -1.777 10.786 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.832 -3.528 9.302 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -4.330 -2.106 8.355 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.610 -2.372 8.725 1.00 0.49 H new ATOM 326 N PRO A 21 -3.143 -3.136 12.255 1.00 0.71 N ATOM 327 CA PRO A 21 -2.209 -3.697 13.275 1.00 0.87 C ATOM 328 C PRO A 21 -0.988 -4.296 12.577 1.00 0.80 C ATOM 329 O PRO A 21 0.143 -3.960 12.869 1.00 1.04 O ATOM 330 CB PRO A 21 -3.035 -4.774 14.000 1.00 1.10 C ATOM 331 CG PRO A 21 -4.178 -5.079 13.084 1.00 1.29 C ATOM 332 CD PRO A 21 -4.462 -3.789 12.316 1.00 0.94 C ATOM 0 HA PRO A 21 -1.830 -2.950 13.973 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -2.437 -5.665 14.193 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -3.390 -4.414 14.965 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -3.925 -5.891 12.402 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -5.055 -5.398 13.648 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -4.857 -3.992 11.321 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.196 -3.168 12.830 1.00 0.94 H new ATOM 340 N GLU A 22 -1.224 -5.152 11.621 1.00 0.72 N ATOM 341 CA GLU A 22 -0.105 -5.755 10.845 1.00 0.83 C ATOM 342 C GLU A 22 -0.026 -5.006 9.517 1.00 0.80 C ATOM 343 O GLU A 22 -1.034 -4.729 8.898 1.00 1.16 O ATOM 344 CB GLU A 22 -0.398 -7.234 10.581 1.00 0.98 C ATOM 345 CG GLU A 22 -0.417 -8.001 11.904 1.00 1.51 C ATOM 346 CD GLU A 22 0.983 -7.995 12.520 1.00 2.01 C ATOM 347 OE1 GLU A 22 1.927 -7.725 11.796 1.00 2.51 O ATOM 348 OE2 GLU A 22 1.087 -8.259 13.707 1.00 2.63 O ATOM 0 H GLU A 22 -2.155 -5.462 11.342 1.00 0.72 H new ATOM 0 HA GLU A 22 0.834 -5.680 11.394 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -1.357 -7.340 10.075 1.00 0.98 H new ATOM 0 HB3 GLU A 22 0.360 -7.652 9.918 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -1.130 -7.544 12.591 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -0.748 -9.026 11.737 1.00 1.51 H new ATOM 355 N LYS A 23 1.145 -4.654 9.074 1.00 0.66 N ATOM 356 CA LYS A 23 1.236 -3.903 7.793 1.00 0.68 C ATOM 357 C LYS A 23 0.741 -4.786 6.646 1.00 0.56 C ATOM 358 O LYS A 23 0.380 -4.302 5.593 1.00 0.59 O ATOM 359 CB LYS A 23 2.677 -3.454 7.543 1.00 0.84 C ATOM 360 CG LYS A 23 3.057 -2.403 8.589 1.00 0.96 C ATOM 361 CD LYS A 23 4.493 -1.932 8.355 1.00 0.79 C ATOM 362 CE LYS A 23 4.862 -0.883 9.407 1.00 1.23 C ATOM 363 NZ LYS A 23 4.845 -1.512 10.759 1.00 2.02 N ATOM 0 H LYS A 23 2.033 -4.850 9.535 1.00 0.66 H new ATOM 0 HA LYS A 23 0.608 -3.014 7.852 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.353 -4.307 7.602 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.774 -3.040 6.540 1.00 0.84 H new ATOM 0 HG2 LYS A 23 2.373 -1.556 8.531 1.00 0.96 H new ATOM 0 HG3 LYS A 23 2.961 -2.823 9.590 1.00 0.96 H new ATOM 0 HD2 LYS A 23 5.179 -2.777 8.412 1.00 0.79 H new ATOM 0 HD3 LYS A 23 4.591 -1.510 7.355 1.00 0.79 H new ATOM 0 HE2 LYS A 23 5.850 -0.473 9.197 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.157 -0.052 9.371 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 5.418 -0.942 11.414 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 3.866 -1.560 11.107 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 5.239 -2.473 10.700 1.00 2.02 H new ATOM 377 N LYS A 24 0.699 -6.077 6.842 1.00 0.49 N ATOM 378 CA LYS A 24 0.202 -6.969 5.756 1.00 0.43 C ATOM 379 C LYS A 24 -1.328 -6.928 5.742 1.00 0.44 C ATOM 380 O LYS A 24 -1.973 -7.161 6.744 1.00 0.75 O ATOM 381 CB LYS A 24 0.658 -8.409 6.009 1.00 0.41 C ATOM 382 CG LYS A 24 2.169 -8.528 5.801 1.00 0.45 C ATOM 383 CD LYS A 24 2.589 -9.986 5.998 1.00 0.50 C ATOM 384 CE LYS A 24 4.115 -10.096 5.953 1.00 0.59 C ATOM 385 NZ LYS A 24 4.621 -9.527 4.674 1.00 1.55 N ATOM 0 H LYS A 24 0.985 -6.549 7.700 1.00 0.49 H new ATOM 0 HA LYS A 24 0.600 -6.629 4.800 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.399 -8.707 7.025 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.136 -9.088 5.334 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.438 -8.191 4.800 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.697 -7.886 6.506 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.217 -10.356 6.953 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.147 -10.610 5.221 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.553 -9.564 6.797 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.417 -11.139 6.043 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.626 -9.768 4.561 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.079 -9.922 3.880 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.512 -8.493 4.687 1.00 1.55 H new ATOM 399 N ILE A 25 -1.914 -6.633 4.613 1.00 0.35 N ATOM 400 CA ILE A 25 -3.404 -6.577 4.531 1.00 0.34 C ATOM 401 C ILE A 25 -3.853 -6.954 3.118 1.00 0.31 C ATOM 402 O ILE A 25 -3.135 -6.761 2.157 1.00 0.33 O ATOM 403 CB ILE A 25 -3.880 -5.162 4.868 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.407 -5.096 4.759 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.254 -4.161 3.895 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.922 -3.850 5.483 1.00 0.47 C ATOM 0 H ILE A 25 -1.425 -6.428 3.742 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.836 -7.280 5.243 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.577 -4.913 5.885 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.706 -5.069 3.711 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.851 -5.991 5.194 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.595 -3.155 4.138 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.168 -4.205 3.976 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.552 -4.409 2.876 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -7.008 -3.806 5.404 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.637 -3.896 6.534 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.489 -2.959 5.028 1.00 0.47 H new ATOM 418 N THR A 26 -5.035 -7.492 2.982 1.00 0.30 N ATOM 419 CA THR A 26 -5.524 -7.883 1.630 1.00 0.31 C ATOM 420 C THR A 26 -6.046 -6.647 0.894 1.00 0.28 C ATOM 421 O THR A 26 -6.391 -5.650 1.497 1.00 0.27 O ATOM 422 CB THR A 26 -6.658 -8.901 1.771 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.750 -8.297 2.450 1.00 0.76 O ATOM 424 CG2 THR A 26 -6.169 -10.114 2.565 1.00 0.81 C ATOM 0 H THR A 26 -5.682 -7.677 3.748 1.00 0.30 H new ATOM 0 HA THR A 26 -4.703 -8.324 1.065 1.00 0.31 H new ATOM 0 HB THR A 26 -6.977 -9.227 0.781 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.479 -8.946 2.540 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.980 -10.836 2.663 1.00 0.81 H new ATOM 0 HG22 THR A 26 -5.332 -10.577 2.043 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.847 -9.794 3.556 1.00 0.81 H new ATOM 432 N LEU A 27 -6.111 -6.710 -0.406 1.00 0.31 N ATOM 433 CA LEU A 27 -6.615 -5.549 -1.192 1.00 0.34 C ATOM 434 C LEU A 27 -8.053 -5.263 -0.745 1.00 0.30 C ATOM 435 O LEU A 27 -8.450 -4.129 -0.538 1.00 0.31 O ATOM 436 CB LEU A 27 -6.562 -5.929 -2.677 1.00 0.44 C ATOM 437 CG LEU A 27 -7.042 -4.785 -3.586 1.00 0.47 C ATOM 438 CD1 LEU A 27 -6.157 -3.547 -3.388 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.948 -5.254 -5.046 1.00 0.68 C ATOM 0 H LEU A 27 -5.835 -7.520 -0.961 1.00 0.31 H new ATOM 0 HA LEU A 27 -6.013 -4.654 -1.033 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.541 -6.200 -2.945 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -7.181 -6.810 -2.847 1.00 0.44 H new ATOM 0 HG LEU A 27 -8.070 -4.523 -3.337 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.506 -2.743 -4.036 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.211 -3.224 -2.348 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.125 -3.794 -3.638 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.285 -4.455 -5.707 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.914 -5.508 -5.281 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.578 -6.132 -5.187 1.00 0.68 H new ATOM 451 N ASN A 28 -8.828 -6.301 -0.580 1.00 0.30 N ATOM 452 CA ASN A 28 -10.239 -6.132 -0.132 1.00 0.31 C ATOM 453 C ASN A 28 -10.288 -5.508 1.265 1.00 0.29 C ATOM 454 O ASN A 28 -11.121 -4.672 1.551 1.00 0.32 O ATOM 455 CB ASN A 28 -10.934 -7.493 -0.094 1.00 0.36 C ATOM 456 CG ASN A 28 -11.144 -8.001 -1.521 1.00 0.43 C ATOM 457 OD1 ASN A 28 -10.858 -9.143 -1.820 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.638 -7.194 -2.420 1.00 1.25 N ATOM 0 H ASN A 28 -8.541 -7.267 -0.738 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.748 -5.473 -0.836 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.332 -8.204 0.471 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.893 -7.409 0.418 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.784 -7.522 -3.375 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -11.878 -6.235 -2.168 1.00 1.25 H new ATOM 465 N GLY A 29 -9.409 -5.910 2.139 1.00 0.28 N ATOM 466 CA GLY A 29 -9.419 -5.344 3.517 1.00 0.29 C ATOM 467 C GLY A 29 -9.226 -3.829 3.452 1.00 0.28 C ATOM 468 O GLY A 29 -9.809 -3.086 4.217 1.00 0.29 O ATOM 0 H GLY A 29 -8.685 -6.605 1.960 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.362 -5.580 4.011 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.626 -5.796 4.112 1.00 0.29 H new ATOM 472 N ILE A 30 -8.407 -3.365 2.551 1.00 0.26 N ATOM 473 CA ILE A 30 -8.173 -1.898 2.446 1.00 0.27 C ATOM 474 C ILE A 30 -9.490 -1.176 2.138 1.00 0.27 C ATOM 475 O ILE A 30 -9.751 -0.110 2.660 1.00 0.29 O ATOM 476 CB ILE A 30 -7.146 -1.619 1.343 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.777 -2.135 1.795 1.00 0.32 C ATOM 478 CG2 ILE A 30 -7.063 -0.111 1.086 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.793 -2.090 0.624 1.00 0.35 C ATOM 0 H ILE A 30 -7.890 -3.937 1.883 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.787 -1.527 3.395 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.447 -2.123 0.425 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.403 -1.528 2.619 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.868 -3.156 2.167 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.332 0.085 0.301 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -8.039 0.259 0.773 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.758 0.398 2.001 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.821 -2.458 0.951 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -5.164 -2.716 -0.187 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.692 -1.063 0.272 1.00 0.35 H new ATOM 491 N TYR A 31 -10.321 -1.726 1.291 1.00 0.28 N ATOM 492 CA TYR A 31 -11.604 -1.027 0.970 1.00 0.30 C ATOM 493 C TYR A 31 -12.487 -0.939 2.215 1.00 0.30 C ATOM 494 O TYR A 31 -13.149 0.054 2.442 1.00 0.32 O ATOM 495 CB TYR A 31 -12.391 -1.776 -0.113 1.00 0.36 C ATOM 496 CG TYR A 31 -11.692 -1.724 -1.459 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.233 -0.509 -1.996 1.00 1.20 C ATOM 498 CD2 TYR A 31 -11.508 -2.911 -2.179 1.00 1.36 C ATOM 499 CE1 TYR A 31 -10.596 -0.493 -3.238 1.00 1.23 C ATOM 500 CE2 TYR A 31 -10.869 -2.891 -3.419 1.00 1.40 C ATOM 501 CZ TYR A 31 -10.414 -1.682 -3.946 1.00 0.58 C ATOM 502 OH TYR A 31 -9.790 -1.664 -5.168 1.00 0.72 O ATOM 0 H TYR A 31 -10.172 -2.615 0.813 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.346 -0.031 0.612 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.523 -2.815 0.188 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.387 -1.342 -0.204 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -11.373 0.411 -1.448 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -11.863 -3.847 -1.772 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -10.244 0.440 -3.652 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -10.727 -3.809 -3.970 1.00 1.40 H new ATOM 0 HH TYR A 31 -10.143 -0.924 -5.704 1.00 0.72 H new ATOM 512 N GLN A 32 -12.527 -1.966 3.015 1.00 0.31 N ATOM 513 CA GLN A 32 -13.396 -1.920 4.223 1.00 0.35 C ATOM 514 C GLN A 32 -12.953 -0.756 5.110 1.00 0.33 C ATOM 515 O GLN A 32 -13.762 -0.048 5.675 1.00 0.34 O ATOM 516 CB GLN A 32 -13.255 -3.242 4.987 1.00 0.41 C ATOM 517 CG GLN A 32 -14.153 -3.240 6.229 1.00 1.25 C ATOM 518 CD GLN A 32 -15.620 -3.184 5.800 1.00 1.79 C ATOM 519 OE1 GLN A 32 -16.325 -2.120 6.069 1.00 2.35 O flip ATOM 520 NE2 GLN A 32 -16.130 -4.119 5.215 1.00 2.51 N flip ATOM 0 H GLN A 32 -12.000 -2.830 2.887 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.438 -1.778 3.935 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.524 -4.075 4.338 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -12.216 -3.390 5.282 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.971 -4.135 6.823 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -13.915 -2.384 6.861 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.579 -4.951 5.005 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -17.109 -4.072 4.934 1.00 2.51 H new ATOM 529 N PHE A 33 -11.673 -0.556 5.238 1.00 0.33 N ATOM 530 CA PHE A 33 -11.168 0.558 6.088 1.00 0.35 C ATOM 531 C PHE A 33 -11.639 1.916 5.547 1.00 0.32 C ATOM 532 O PHE A 33 -12.131 2.748 6.282 1.00 0.34 O ATOM 533 CB PHE A 33 -9.639 0.517 6.102 1.00 0.40 C ATOM 534 CG PHE A 33 -9.109 1.613 6.994 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.892 1.361 8.355 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.830 2.878 6.464 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.398 2.374 9.184 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.336 3.891 7.294 1.00 1.27 C ATOM 539 CZ PHE A 33 -8.120 3.639 8.654 1.00 0.63 C ATOM 0 H PHE A 33 -10.950 -1.118 4.789 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.559 0.437 7.098 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.295 -0.454 6.459 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.253 0.640 5.090 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.106 0.385 8.764 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.996 3.072 5.415 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -8.231 2.180 10.233 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -8.121 4.867 6.885 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.739 4.421 9.294 1.00 0.63 H new ATOM 549 N ILE A 34 -11.453 2.163 4.276 1.00 0.28 N ATOM 550 CA ILE A 34 -11.846 3.486 3.696 1.00 0.27 C ATOM 551 C ILE A 34 -13.349 3.761 3.846 1.00 0.26 C ATOM 552 O ILE A 34 -13.743 4.821 4.289 1.00 0.27 O ATOM 553 CB ILE A 34 -11.465 3.506 2.209 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.938 3.544 2.091 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.067 4.742 1.519 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.523 3.200 0.660 1.00 0.59 C ATOM 0 H ILE A 34 -11.045 1.505 3.612 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.317 4.267 4.242 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.857 2.612 1.723 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.567 4.533 2.360 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.492 2.836 2.789 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.788 4.742 0.465 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.153 4.715 1.607 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.687 5.646 1.995 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.436 3.228 0.580 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.880 2.201 0.408 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.957 3.925 -0.029 1.00 0.59 H new ATOM 568 N MET A 35 -14.197 2.843 3.467 1.00 0.27 N ATOM 569 CA MET A 35 -15.661 3.111 3.582 1.00 0.29 C ATOM 570 C MET A 35 -16.047 3.365 5.042 1.00 0.29 C ATOM 571 O MET A 35 -16.864 4.215 5.336 1.00 0.31 O ATOM 572 CB MET A 35 -16.456 1.916 3.043 1.00 0.37 C ATOM 573 CG MET A 35 -16.462 1.943 1.512 1.00 0.44 C ATOM 574 SD MET A 35 -17.487 0.586 0.892 1.00 0.69 S ATOM 575 CE MET A 35 -16.190 -0.672 0.867 1.00 0.47 C ATOM 0 H MET A 35 -13.945 1.930 3.087 1.00 0.27 H new ATOM 0 HA MET A 35 -15.896 3.999 2.995 1.00 0.29 H new ATOM 0 HB2 MET A 35 -16.014 0.985 3.397 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.478 1.948 3.420 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.848 2.898 1.155 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.445 1.849 1.131 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.643 -1.663 0.896 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.601 -0.569 -0.044 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.542 -0.544 1.734 1.00 0.47 H new ATOM 585 N ASP A 36 -15.486 2.626 5.959 1.00 0.31 N ATOM 586 CA ASP A 36 -15.849 2.820 7.392 1.00 0.37 C ATOM 587 C ASP A 36 -15.413 4.200 7.897 1.00 0.38 C ATOM 588 O ASP A 36 -16.181 4.902 8.524 1.00 0.45 O ATOM 589 CB ASP A 36 -15.176 1.739 8.237 1.00 0.43 C ATOM 590 CG ASP A 36 -15.825 0.384 7.949 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.918 0.376 7.406 1.00 1.12 O ATOM 592 OD2 ASP A 36 -15.222 -0.622 8.283 1.00 1.17 O ATOM 0 H ASP A 36 -14.794 1.898 5.779 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.933 2.750 7.480 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.110 1.698 8.012 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.269 1.980 9.296 1.00 0.43 H new ATOM 597 N ARG A 37 -14.193 4.597 7.652 1.00 0.39 N ATOM 598 CA ARG A 37 -13.745 5.931 8.153 1.00 0.46 C ATOM 599 C ARG A 37 -14.455 7.042 7.379 1.00 0.45 C ATOM 600 O ARG A 37 -14.908 8.012 7.954 1.00 0.59 O ATOM 601 CB ARG A 37 -12.233 6.081 7.960 1.00 0.53 C ATOM 602 CG ARG A 37 -11.474 4.993 8.730 1.00 1.16 C ATOM 603 CD ARG A 37 -11.473 5.295 10.233 1.00 1.28 C ATOM 604 NE ARG A 37 -10.530 4.366 10.919 1.00 1.77 N ATOM 605 CZ ARG A 37 -10.143 4.612 12.141 1.00 2.16 C ATOM 606 NH1 ARG A 37 -10.609 5.653 12.776 1.00 2.31 N ATOM 607 NH2 ARG A 37 -9.294 3.814 12.731 1.00 3.00 N ATOM 0 H ARG A 37 -13.494 4.064 7.134 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.989 6.006 9.213 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.990 6.019 6.899 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.914 7.065 8.303 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.936 4.023 8.549 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.449 4.931 8.366 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -11.176 6.329 10.408 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -12.477 5.179 10.640 1.00 1.28 H new ATOM 0 HE ARG A 37 -10.187 3.537 10.433 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -11.275 6.274 12.317 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -10.307 5.845 13.731 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -8.933 2.998 12.237 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -8.992 4.007 13.686 1.00 3.00 H new ATOM 621 N PHE A 38 -14.557 6.906 6.082 1.00 0.40 N ATOM 622 CA PHE A 38 -15.239 7.946 5.249 1.00 0.41 C ATOM 623 C PHE A 38 -16.469 7.307 4.578 1.00 0.39 C ATOM 624 O PHE A 38 -16.320 6.445 3.735 1.00 0.51 O ATOM 625 CB PHE A 38 -14.263 8.440 4.175 1.00 0.43 C ATOM 626 CG PHE A 38 -12.960 8.843 4.825 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.861 10.067 5.498 1.00 1.47 C ATOM 628 CD2 PHE A 38 -11.850 7.992 4.755 1.00 1.21 C ATOM 629 CE1 PHE A 38 -11.653 10.440 6.100 1.00 1.54 C ATOM 630 CE2 PHE A 38 -10.642 8.365 5.357 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.544 9.588 6.030 1.00 0.82 C ATOM 0 H PHE A 38 -14.193 6.110 5.557 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.552 8.787 5.868 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -14.087 7.655 3.440 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.692 9.287 3.640 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.717 10.724 5.553 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -11.926 7.048 4.236 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -11.577 11.385 6.618 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -9.786 7.709 5.302 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.613 9.875 6.496 1.00 0.82 H new ATOM 641 N PRO A 39 -17.677 7.689 4.942 1.00 0.53 N ATOM 642 CA PRO A 39 -18.908 7.087 4.346 1.00 0.55 C ATOM 643 C PRO A 39 -19.227 7.663 2.963 1.00 0.47 C ATOM 644 O PRO A 39 -20.128 7.218 2.282 1.00 0.47 O ATOM 645 CB PRO A 39 -19.998 7.451 5.356 1.00 0.70 C ATOM 646 CG PRO A 39 -19.556 8.758 5.927 1.00 1.21 C ATOM 647 CD PRO A 39 -18.022 8.724 5.941 1.00 0.88 C ATOM 0 HA PRO A 39 -18.806 6.014 4.181 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.972 7.537 4.875 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.091 6.690 6.131 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.921 9.589 5.324 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.951 8.896 6.933 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.599 9.693 5.674 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.638 8.469 6.929 1.00 0.88 H new ATOM 655 N PHE A 40 -18.487 8.649 2.547 1.00 0.44 N ATOM 656 CA PHE A 40 -18.731 9.262 1.212 1.00 0.42 C ATOM 657 C PHE A 40 -18.565 8.194 0.122 1.00 0.34 C ATOM 658 O PHE A 40 -19.282 8.182 -0.859 1.00 0.36 O ATOM 659 CB PHE A 40 -17.726 10.415 1.018 1.00 0.48 C ATOM 660 CG PHE A 40 -17.388 10.612 -0.448 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.375 11.030 -1.348 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.085 10.362 -0.905 1.00 2.20 C ATOM 663 CE1 PHE A 40 -18.063 11.198 -2.703 1.00 3.41 C ATOM 664 CE2 PHE A 40 -15.774 10.533 -2.259 1.00 3.29 C ATOM 665 CZ PHE A 40 -16.762 10.950 -3.158 1.00 3.74 C ATOM 0 H PHE A 40 -17.718 9.060 3.077 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.745 9.657 1.146 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -18.144 11.336 1.424 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.815 10.204 1.578 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.378 11.223 -0.997 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.322 10.038 -0.212 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -18.826 11.519 -3.397 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -14.771 10.343 -2.610 1.00 3.29 H new ATOM 0 HZ PHE A 40 -16.521 11.081 -4.203 1.00 3.74 H new ATOM 675 N TYR A 41 -17.616 7.314 0.273 1.00 0.27 N ATOM 676 CA TYR A 41 -17.397 6.272 -0.769 1.00 0.25 C ATOM 677 C TYR A 41 -18.548 5.264 -0.773 1.00 0.29 C ATOM 678 O TYR A 41 -18.797 4.605 -1.762 1.00 0.35 O ATOM 679 CB TYR A 41 -16.073 5.561 -0.499 1.00 0.23 C ATOM 680 CG TYR A 41 -14.958 6.556 -0.693 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.424 6.770 -1.966 1.00 1.04 C ATOM 682 CD2 TYR A 41 -14.472 7.275 0.400 1.00 1.10 C ATOM 683 CE1 TYR A 41 -13.400 7.704 -2.149 1.00 1.05 C ATOM 684 CE2 TYR A 41 -13.447 8.210 0.223 1.00 1.12 C ATOM 685 CZ TYR A 41 -12.909 8.426 -1.053 1.00 0.34 C ATOM 686 OH TYR A 41 -11.899 9.349 -1.232 1.00 0.40 O ATOM 0 H TYR A 41 -16.983 7.271 1.072 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.361 6.749 -1.749 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.055 5.163 0.515 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.950 4.715 -1.176 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -14.803 6.213 -2.810 1.00 1.04 H new ATOM 0 HD2 TYR A 41 -14.888 7.109 1.383 1.00 1.10 H new ATOM 0 HE1 TYR A 41 -12.988 7.869 -3.134 1.00 1.05 H new ATOM 0 HE2 TYR A 41 -13.070 8.765 1.069 1.00 1.12 H new ATOM 0 HH TYR A 41 -11.677 9.762 -0.371 1.00 0.40 H new ATOM 696 N ARG A 42 -19.253 5.130 0.316 1.00 0.33 N ATOM 697 CA ARG A 42 -20.380 4.157 0.339 1.00 0.42 C ATOM 698 C ARG A 42 -21.406 4.536 -0.733 1.00 0.44 C ATOM 699 O ARG A 42 -21.964 3.688 -1.400 1.00 0.53 O ATOM 700 CB ARG A 42 -21.070 4.194 1.705 1.00 0.50 C ATOM 701 CG ARG A 42 -20.160 3.595 2.779 1.00 0.58 C ATOM 702 CD ARG A 42 -20.861 3.684 4.138 1.00 0.63 C ATOM 703 NE ARG A 42 -22.170 2.973 4.070 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.823 2.692 5.166 1.00 1.66 C ATOM 705 NH1 ARG A 42 -22.331 3.039 6.324 1.00 1.95 N ATOM 706 NH2 ARG A 42 -23.968 2.068 5.104 1.00 2.51 N ATOM 0 H ARG A 42 -19.100 5.646 1.182 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.987 3.158 0.148 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.321 5.222 1.965 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -22.007 3.638 1.662 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.932 2.556 2.541 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -19.211 4.131 2.810 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -20.234 3.241 4.912 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.016 4.728 4.412 1.00 0.63 H new ATOM 0 HE ARG A 42 -22.557 2.705 3.165 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -21.438 3.529 6.372 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -22.840 2.820 7.181 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -24.354 1.799 4.199 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -24.477 1.849 5.961 1.00 2.51 H new ATOM 720 N GLU A 43 -21.672 5.806 -0.891 1.00 0.42 N ATOM 721 CA GLU A 43 -22.677 6.239 -1.906 1.00 0.48 C ATOM 722 C GLU A 43 -22.215 5.844 -3.304 1.00 0.45 C ATOM 723 O GLU A 43 -22.992 5.403 -4.127 1.00 0.66 O ATOM 724 CB GLU A 43 -22.862 7.759 -1.831 1.00 0.62 C ATOM 725 CG GLU A 43 -23.928 8.214 -2.836 1.00 1.27 C ATOM 726 CD GLU A 43 -25.273 7.569 -2.491 1.00 1.75 C ATOM 727 OE1 GLU A 43 -25.529 7.374 -1.314 1.00 2.28 O ATOM 728 OE2 GLU A 43 -26.018 7.272 -3.409 1.00 2.34 O ATOM 0 H GLU A 43 -21.237 6.562 -0.361 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.627 5.748 -1.697 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -23.157 8.047 -0.822 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -21.916 8.258 -2.042 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.019 9.300 -2.817 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -23.630 7.937 -3.847 1.00 1.27 H new ATOM 735 N ASN A 44 -20.953 6.008 -3.570 1.00 0.44 N ATOM 736 CA ASN A 44 -20.397 5.657 -4.915 1.00 0.43 C ATOM 737 C ASN A 44 -19.409 4.503 -4.770 1.00 0.37 C ATOM 738 O ASN A 44 -18.262 4.698 -4.422 1.00 0.47 O ATOM 739 CB ASN A 44 -19.659 6.867 -5.492 1.00 0.54 C ATOM 740 CG ASN A 44 -19.306 6.602 -6.957 1.00 1.30 C ATOM 741 OD1 ASN A 44 -20.142 6.170 -7.727 1.00 2.01 O ATOM 742 ND2 ASN A 44 -18.095 6.846 -7.378 1.00 1.97 N ATOM 0 H ASN A 44 -20.269 6.375 -2.908 1.00 0.44 H new ATOM 0 HA ASN A 44 -21.213 5.368 -5.578 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -20.282 7.758 -5.413 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.753 7.060 -4.918 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -17.850 6.674 -8.353 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -17.394 7.208 -6.732 1.00 1.97 H new ATOM 749 N LYS A 45 -19.839 3.301 -5.038 1.00 0.49 N ATOM 750 CA LYS A 45 -18.916 2.139 -4.920 1.00 0.61 C ATOM 751 C LYS A 45 -18.122 1.979 -6.217 1.00 0.71 C ATOM 752 O LYS A 45 -16.995 1.526 -6.217 1.00 0.97 O ATOM 753 CB LYS A 45 -19.725 0.868 -4.667 1.00 0.76 C ATOM 754 CG LYS A 45 -20.470 0.981 -3.335 1.00 0.74 C ATOM 755 CD LYS A 45 -21.276 -0.298 -3.095 1.00 0.93 C ATOM 756 CE LYS A 45 -22.023 -0.192 -1.765 1.00 1.11 C ATOM 757 NZ LYS A 45 -23.176 0.738 -1.918 1.00 1.68 N ATOM 0 H LYS A 45 -20.789 3.074 -5.333 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.230 2.309 -4.090 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.435 0.711 -5.479 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.063 0.002 -4.651 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.762 1.136 -2.521 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.134 1.845 -3.349 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -21.984 -0.452 -3.910 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.611 -1.162 -3.082 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.374 -1.176 -1.453 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -21.352 0.169 -0.986 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -23.912 0.496 -1.224 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -22.857 1.715 -1.759 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -23.565 0.653 -2.879 1.00 1.68 H new ATOM 771 N GLN A 46 -18.713 2.329 -7.327 1.00 0.95 N ATOM 772 CA GLN A 46 -18.013 2.181 -8.636 1.00 1.12 C ATOM 773 C GLN A 46 -17.237 3.451 -8.981 1.00 0.71 C ATOM 774 O GLN A 46 -17.665 4.552 -8.697 1.00 1.16 O ATOM 775 CB GLN A 46 -19.050 1.914 -9.726 1.00 1.90 C ATOM 776 CG GLN A 46 -19.752 0.589 -9.433 1.00 2.64 C ATOM 777 CD GLN A 46 -18.771 -0.563 -9.653 1.00 3.38 C ATOM 778 OE1 GLN A 46 -18.011 -0.557 -10.601 1.00 3.81 O ATOM 779 NE2 GLN A 46 -18.747 -1.554 -8.805 1.00 3.98 N ATOM 0 H GLN A 46 -19.656 2.713 -7.384 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.310 1.351 -8.568 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.777 2.725 -9.760 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.568 1.876 -10.703 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -20.119 0.578 -8.407 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.619 0.472 -10.083 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -19.385 -1.560 -8.009 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -18.090 -2.323 -8.938 1.00 3.98 H new ATOM 788 N GLY A 47 -16.102 3.298 -9.615 1.00 0.78 N ATOM 789 CA GLY A 47 -15.281 4.479 -10.020 1.00 0.73 C ATOM 790 C GLY A 47 -14.044 4.611 -9.127 1.00 0.54 C ATOM 791 O GLY A 47 -12.925 4.529 -9.594 1.00 0.64 O ATOM 0 H GLY A 47 -15.705 2.394 -9.872 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.975 4.375 -11.061 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.882 5.386 -9.953 1.00 0.73 H new ATOM 795 N TRP A 48 -14.226 4.849 -7.857 1.00 0.44 N ATOM 796 CA TRP A 48 -13.046 5.022 -6.962 1.00 0.33 C ATOM 797 C TRP A 48 -12.336 3.693 -6.690 1.00 0.31 C ATOM 798 O TRP A 48 -11.131 3.653 -6.535 1.00 0.37 O ATOM 799 CB TRP A 48 -13.487 5.660 -5.641 1.00 0.36 C ATOM 800 CG TRP A 48 -14.226 4.687 -4.773 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.546 4.388 -4.866 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.717 3.916 -3.643 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.872 3.491 -3.869 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.783 3.165 -3.092 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.448 3.793 -3.049 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.600 2.327 -1.991 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.259 2.948 -1.943 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.333 2.218 -1.414 1.00 0.42 C ATOM 0 H TRP A 48 -15.135 4.931 -7.402 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.337 5.676 -7.469 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.613 6.032 -5.107 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.124 6.520 -5.847 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.230 4.787 -5.600 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.809 3.114 -3.725 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.613 4.352 -3.446 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.431 1.767 -1.589 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.279 2.860 -1.497 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.181 1.572 -0.562 1.00 0.42 H new ATOM 819 N GLN A 49 -13.055 2.610 -6.598 1.00 0.41 N ATOM 820 CA GLN A 49 -12.386 1.311 -6.298 1.00 0.47 C ATOM 821 C GLN A 49 -11.367 0.958 -7.389 1.00 0.37 C ATOM 822 O GLN A 49 -10.291 0.471 -7.105 1.00 0.38 O ATOM 823 CB GLN A 49 -13.434 0.200 -6.206 1.00 0.65 C ATOM 824 CG GLN A 49 -14.271 0.399 -4.942 1.00 1.21 C ATOM 825 CD GLN A 49 -15.304 -0.723 -4.825 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.409 -1.602 -5.784 1.00 1.96 O flip ATOM 827 NE2 GLN A 49 -16.009 -0.813 -3.840 1.00 1.59 N flip ATOM 0 H GLN A 49 -14.067 2.566 -6.716 1.00 0.41 H new ATOM 0 HA GLN A 49 -11.862 1.406 -5.347 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.076 0.215 -7.087 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -12.947 -0.775 -6.184 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.625 0.405 -4.064 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -14.773 1.366 -4.975 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -15.928 -0.126 -3.090 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.682 -1.575 -3.763 1.00 1.59 H new ATOM 836 N ASN A 50 -11.692 1.186 -8.633 1.00 0.37 N ATOM 837 CA ASN A 50 -10.731 0.842 -9.723 1.00 0.39 C ATOM 838 C ASN A 50 -9.461 1.693 -9.611 1.00 0.34 C ATOM 839 O ASN A 50 -8.366 1.218 -9.837 1.00 0.39 O ATOM 840 CB ASN A 50 -11.383 1.104 -11.084 1.00 0.53 C ATOM 841 CG ASN A 50 -12.488 0.077 -11.349 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.616 -0.955 -10.560 1.00 1.25 O flip ATOM 843 ND2 ASN A 50 -13.246 0.217 -12.288 1.00 1.28 N flip ATOM 0 H ASN A 50 -12.575 1.593 -8.941 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.466 -0.211 -9.629 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.799 2.111 -11.108 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.631 1.051 -11.872 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -13.149 1.022 -12.906 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.980 -0.471 -12.458 1.00 1.28 H new ATOM 850 N SER A 51 -9.596 2.949 -9.288 1.00 0.31 N ATOM 851 CA SER A 51 -8.396 3.833 -9.190 1.00 0.36 C ATOM 852 C SER A 51 -7.422 3.325 -8.120 1.00 0.37 C ATOM 853 O SER A 51 -6.220 3.366 -8.294 1.00 0.50 O ATOM 854 CB SER A 51 -8.852 5.246 -8.828 1.00 0.38 C ATOM 855 OG SER A 51 -9.539 5.815 -9.934 1.00 1.49 O ATOM 0 H SER A 51 -10.486 3.404 -9.087 1.00 0.31 H new ATOM 0 HA SER A 51 -7.880 3.831 -10.150 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.504 5.218 -7.955 1.00 0.38 H new ATOM 0 HB3 SER A 51 -7.992 5.861 -8.563 1.00 0.38 H new ATOM 0 HG SER A 51 -9.834 6.721 -9.705 1.00 1.49 H new ATOM 861 N ILE A 52 -7.925 2.863 -7.010 1.00 0.33 N ATOM 862 CA ILE A 52 -7.030 2.372 -5.920 1.00 0.43 C ATOM 863 C ILE A 52 -6.163 1.206 -6.410 1.00 0.42 C ATOM 864 O ILE A 52 -4.970 1.175 -6.185 1.00 0.47 O ATOM 865 CB ILE A 52 -7.894 1.911 -4.740 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.741 3.082 -4.204 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.010 1.349 -3.624 1.00 0.64 C ATOM 868 CD1 ILE A 52 -7.866 4.207 -3.626 1.00 0.64 C ATOM 0 H ILE A 52 -8.923 2.803 -6.808 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.369 3.182 -5.610 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.564 1.125 -5.088 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.359 3.480 -5.008 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.418 2.716 -3.432 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -7.636 1.025 -2.792 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.442 0.499 -4.003 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.322 2.122 -3.281 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.503 5.012 -3.260 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -7.267 3.816 -2.804 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.207 4.592 -4.404 1.00 0.64 H new ATOM 880 N ARG A 53 -6.750 0.237 -7.054 1.00 0.45 N ATOM 881 CA ARG A 53 -5.956 -0.935 -7.528 1.00 0.53 C ATOM 882 C ARG A 53 -5.031 -0.509 -8.671 1.00 0.49 C ATOM 883 O ARG A 53 -3.915 -0.977 -8.789 1.00 0.47 O ATOM 884 CB ARG A 53 -6.915 -2.013 -8.037 1.00 0.76 C ATOM 885 CG ARG A 53 -8.059 -2.156 -7.035 1.00 0.56 C ATOM 886 CD ARG A 53 -8.946 -3.368 -7.358 1.00 0.37 C ATOM 887 NE ARG A 53 -8.123 -4.548 -7.753 1.00 1.42 N ATOM 888 CZ ARG A 53 -8.660 -5.738 -7.770 1.00 1.74 C ATOM 889 NH1 ARG A 53 -9.921 -5.892 -7.465 1.00 1.58 N ATOM 890 NH2 ARG A 53 -7.938 -6.774 -8.097 1.00 2.76 N ATOM 0 H ARG A 53 -7.745 0.204 -7.274 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.357 -1.323 -6.704 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.303 -1.742 -9.019 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.391 -2.962 -8.152 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.652 -2.260 -6.029 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.664 -1.250 -7.041 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.554 -3.619 -6.489 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.634 -3.114 -8.165 1.00 0.37 H new ATOM 0 HE ARG A 53 -7.143 -4.425 -8.009 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.487 -5.082 -7.213 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -10.339 -6.822 -7.479 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -6.954 -6.654 -8.339 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -8.357 -7.704 -8.110 1.00 2.76 H new ATOM 904 N HIS A 54 -5.496 0.360 -9.524 1.00 0.52 N ATOM 905 CA HIS A 54 -4.659 0.804 -10.675 1.00 0.59 C ATOM 906 C HIS A 54 -3.374 1.455 -10.157 1.00 0.53 C ATOM 907 O HIS A 54 -2.299 1.224 -10.674 1.00 0.59 O ATOM 908 CB HIS A 54 -5.454 1.815 -11.503 1.00 0.67 C ATOM 909 CG HIS A 54 -4.631 2.279 -12.673 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.136 1.399 -13.622 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.225 3.529 -13.071 1.00 1.99 C ATOM 912 CE1 HIS A 54 -3.468 2.124 -14.538 1.00 2.38 C ATOM 913 NE2 HIS A 54 -3.491 3.428 -14.250 1.00 2.48 N ATOM 0 H HIS A 54 -6.422 0.784 -9.474 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.396 -0.054 -11.294 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.380 1.361 -11.856 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -5.733 2.667 -10.883 1.00 0.67 H new ATOM 0 HD1 HIS A 54 -4.256 0.386 -13.626 1.00 1.81 H new ATOM 0 HD2 HIS A 54 -4.442 4.450 -12.549 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -2.974 1.703 -15.401 1.00 2.38 H new ATOM 921 N ASN A 55 -3.474 2.257 -9.134 1.00 0.46 N ATOM 922 CA ASN A 55 -2.256 2.912 -8.576 1.00 0.50 C ATOM 923 C ASN A 55 -1.312 1.847 -8.013 1.00 0.45 C ATOM 924 O ASN A 55 -0.108 1.940 -8.148 1.00 0.51 O ATOM 925 CB ASN A 55 -2.657 3.881 -7.463 1.00 0.53 C ATOM 926 CG ASN A 55 -3.380 5.087 -8.067 1.00 1.27 C ATOM 927 OD1 ASN A 55 -3.448 5.213 -9.365 1.00 2.07 O flip ATOM 928 ND2 ASN A 55 -3.892 5.923 -7.350 1.00 1.97 N flip ATOM 0 H ASN A 55 -4.347 2.488 -8.659 1.00 0.46 H new ATOM 0 HA ASN A 55 -1.749 3.463 -9.368 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.305 3.378 -6.745 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -1.772 4.210 -6.918 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -3.840 5.826 -6.336 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -4.374 6.722 -7.762 1.00 1.97 H new ATOM 935 N LEU A 56 -1.845 0.847 -7.363 1.00 0.39 N ATOM 936 CA LEU A 56 -0.968 -0.205 -6.774 1.00 0.39 C ATOM 937 C LEU A 56 -0.144 -0.890 -7.868 1.00 0.44 C ATOM 938 O LEU A 56 1.020 -1.184 -7.683 1.00 0.78 O ATOM 939 CB LEU A 56 -1.820 -1.257 -6.058 1.00 0.44 C ATOM 940 CG LEU A 56 -2.441 -0.667 -4.784 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.401 -1.697 -4.178 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.347 -0.317 -3.756 1.00 0.53 C ATOM 0 H LEU A 56 -2.845 0.714 -7.215 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.295 0.271 -6.061 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.607 -1.611 -6.724 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.205 -2.121 -5.804 1.00 0.44 H new ATOM 0 HG LEU A 56 -2.978 0.246 -5.040 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.848 -1.288 -3.272 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.186 -1.930 -4.897 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.852 -2.606 -3.933 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.809 0.100 -2.861 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.793 -1.218 -3.493 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.664 0.416 -4.186 1.00 0.53 H new ATOM 954 N SER A 57 -0.733 -1.163 -9.000 1.00 0.55 N ATOM 955 CA SER A 57 0.030 -1.848 -10.083 1.00 0.61 C ATOM 956 C SER A 57 1.101 -0.918 -10.660 1.00 0.64 C ATOM 957 O SER A 57 2.225 -1.321 -10.881 1.00 0.69 O ATOM 958 CB SER A 57 -0.930 -2.257 -11.200 1.00 0.71 C ATOM 959 OG SER A 57 -1.469 -1.088 -11.802 1.00 1.60 O ATOM 0 H SER A 57 -1.704 -0.943 -9.222 1.00 0.55 H new ATOM 0 HA SER A 57 0.515 -2.729 -9.663 1.00 0.61 H new ATOM 0 HB2 SER A 57 -0.406 -2.856 -11.945 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.732 -2.877 -10.798 1.00 0.71 H new ATOM 0 HG SER A 57 -1.730 -0.451 -11.104 1.00 1.60 H new ATOM 965 N LEU A 58 0.766 0.316 -10.918 1.00 0.65 N ATOM 966 CA LEU A 58 1.776 1.250 -11.493 1.00 0.73 C ATOM 967 C LEU A 58 2.840 1.582 -10.444 1.00 0.69 C ATOM 968 O LEU A 58 4.014 1.666 -10.748 1.00 0.76 O ATOM 969 CB LEU A 58 1.088 2.535 -11.952 1.00 0.81 C ATOM 970 CG LEU A 58 0.220 2.255 -13.187 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.666 3.473 -13.460 1.00 1.38 C ATOM 972 CD2 LEU A 58 1.097 1.978 -14.423 1.00 1.31 C ATOM 0 H LEU A 58 -0.158 0.717 -10.757 1.00 0.65 H new ATOM 0 HA LEU A 58 2.255 0.772 -12.347 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.471 2.934 -11.147 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.835 3.293 -12.187 1.00 0.81 H new ATOM 0 HG LEU A 58 -0.393 1.375 -12.993 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.286 3.283 -14.336 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.305 3.659 -12.597 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -0.039 4.346 -13.642 1.00 1.38 H new ATOM 0 HD21 LEU A 58 0.459 1.782 -15.285 1.00 1.31 H new ATOM 0 HD22 LEU A 58 1.725 2.846 -14.625 1.00 1.31 H new ATOM 0 HD23 LEU A 58 1.728 1.110 -14.234 1.00 1.31 H new ATOM 984 N ASN A 59 2.451 1.774 -9.213 1.00 0.62 N ATOM 985 CA ASN A 59 3.461 2.100 -8.167 1.00 0.61 C ATOM 986 C ASN A 59 4.240 0.832 -7.817 1.00 0.56 C ATOM 987 O ASN A 59 3.689 -0.134 -7.328 1.00 0.52 O ATOM 988 CB ASN A 59 2.757 2.631 -6.917 1.00 0.64 C ATOM 989 CG ASN A 59 2.084 3.967 -7.234 1.00 0.83 C ATOM 990 OD1 ASN A 59 2.658 4.809 -7.895 1.00 1.42 O ATOM 991 ND2 ASN A 59 0.882 4.198 -6.781 1.00 1.29 N ATOM 0 H ASN A 59 1.486 1.720 -8.888 1.00 0.62 H new ATOM 0 HA ASN A 59 4.144 2.862 -8.541 1.00 0.61 H new ATOM 0 HB2 ASN A 59 2.014 1.911 -6.572 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.477 2.758 -6.108 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.423 5.087 -6.982 1.00 1.29 H new ATOM 0 HD22 ASN A 59 0.401 3.490 -6.226 1.00 1.29 H new ATOM 998 N GLU A 60 5.517 0.822 -8.083 1.00 0.62 N ATOM 999 CA GLU A 60 6.344 -0.384 -7.791 1.00 0.65 C ATOM 1000 C GLU A 60 6.935 -0.296 -6.380 1.00 0.58 C ATOM 1001 O GLU A 60 7.594 -1.206 -5.917 1.00 0.55 O ATOM 1002 CB GLU A 60 7.466 -0.459 -8.827 1.00 0.84 C ATOM 1003 CG GLU A 60 6.860 -0.784 -10.195 1.00 0.97 C ATOM 1004 CD GLU A 60 7.928 -0.640 -11.281 1.00 1.52 C ATOM 1005 OE1 GLU A 60 8.944 -0.024 -11.006 1.00 2.17 O ATOM 1006 OE2 GLU A 60 7.711 -1.151 -12.368 1.00 2.02 O ATOM 0 H GLU A 60 6.028 1.604 -8.493 1.00 0.62 H new ATOM 0 HA GLU A 60 5.725 -1.280 -7.843 1.00 0.65 H new ATOM 0 HB2 GLU A 60 8.004 0.488 -8.869 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.189 -1.224 -8.544 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.462 -1.799 -10.195 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.025 -0.114 -10.402 1.00 0.97 H new ATOM 1013 N CYS A 61 6.711 0.790 -5.691 1.00 0.62 N ATOM 1014 CA CYS A 61 7.268 0.927 -4.314 1.00 0.65 C ATOM 1015 C CYS A 61 6.545 -0.023 -3.355 1.00 0.53 C ATOM 1016 O CYS A 61 7.033 -0.320 -2.282 1.00 0.57 O ATOM 1017 CB CYS A 61 7.101 2.367 -3.829 1.00 0.78 C ATOM 1018 SG CYS A 61 5.342 2.731 -3.607 1.00 1.56 S ATOM 0 H CYS A 61 6.167 1.587 -6.021 1.00 0.62 H new ATOM 0 HA CYS A 61 8.328 0.672 -4.337 1.00 0.65 H new ATOM 0 HB2 CYS A 61 7.634 2.509 -2.889 1.00 0.78 H new ATOM 0 HB3 CYS A 61 7.538 3.058 -4.550 1.00 0.78 H new ATOM 0 HG CYS A 61 5.201 3.955 -3.192 1.00 1.56 H new ATOM 1024 N PHE A 62 5.391 -0.508 -3.726 1.00 0.46 N ATOM 1025 CA PHE A 62 4.659 -1.440 -2.823 1.00 0.40 C ATOM 1026 C PHE A 62 5.284 -2.830 -2.925 1.00 0.44 C ATOM 1027 O PHE A 62 5.871 -3.183 -3.928 1.00 0.55 O ATOM 1028 CB PHE A 62 3.187 -1.527 -3.233 1.00 0.44 C ATOM 1029 CG PHE A 62 2.478 -0.238 -2.895 1.00 0.40 C ATOM 1030 CD1 PHE A 62 1.905 -0.066 -1.630 1.00 1.29 C ATOM 1031 CD2 PHE A 62 2.383 0.779 -3.851 1.00 1.27 C ATOM 1032 CE1 PHE A 62 1.238 1.126 -1.319 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.717 1.971 -3.541 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.145 2.145 -2.275 1.00 0.59 C ATOM 0 H PHE A 62 4.926 -0.301 -4.610 1.00 0.46 H new ATOM 0 HA PHE A 62 4.726 -1.069 -1.800 1.00 0.40 H new ATOM 0 HB2 PHE A 62 3.110 -1.724 -4.302 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.707 -2.361 -2.720 1.00 0.44 H new ATOM 0 HD1 PHE A 62 1.977 -0.852 -0.893 1.00 1.29 H new ATOM 0 HD2 PHE A 62 2.823 0.645 -4.828 1.00 1.27 H new ATOM 0 HE1 PHE A 62 0.796 1.259 -0.343 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.645 2.756 -4.279 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.632 3.065 -2.036 1.00 0.59 H new ATOM 1044 N VAL A 63 5.164 -3.618 -1.888 1.00 0.46 N ATOM 1045 CA VAL A 63 5.749 -4.993 -1.897 1.00 0.55 C ATOM 1046 C VAL A 63 4.605 -6.008 -1.947 1.00 0.45 C ATOM 1047 O VAL A 63 3.688 -5.962 -1.152 1.00 0.45 O ATOM 1048 CB VAL A 63 6.564 -5.206 -0.614 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.282 -6.559 -0.672 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.603 -4.089 -0.467 1.00 0.91 C ATOM 0 H VAL A 63 4.681 -3.365 -1.026 1.00 0.46 H new ATOM 0 HA VAL A 63 6.399 -5.119 -2.763 1.00 0.55 H new ATOM 0 HB VAL A 63 5.888 -5.189 0.241 1.00 0.74 H new ATOM 0 HG11 VAL A 63 7.859 -6.704 0.241 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.546 -7.358 -0.767 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.952 -6.579 -1.531 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.179 -4.245 0.445 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.274 -4.101 -1.326 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.096 -3.125 -0.416 1.00 0.91 H new ATOM 1060 N LYS A 64 4.653 -6.928 -2.873 1.00 0.53 N ATOM 1061 CA LYS A 64 3.570 -7.951 -2.973 1.00 0.56 C ATOM 1062 C LYS A 64 4.021 -9.222 -2.249 1.00 0.54 C ATOM 1063 O LYS A 64 4.967 -9.866 -2.660 1.00 0.77 O ATOM 1064 CB LYS A 64 3.334 -8.298 -4.446 1.00 0.84 C ATOM 1065 CG LYS A 64 2.773 -7.090 -5.197 1.00 0.94 C ATOM 1066 CD LYS A 64 2.551 -7.479 -6.664 1.00 1.11 C ATOM 1067 CE LYS A 64 1.965 -6.298 -7.450 1.00 1.05 C ATOM 1068 NZ LYS A 64 2.438 -6.359 -8.863 1.00 1.81 N ATOM 0 H LYS A 64 5.396 -7.016 -3.566 1.00 0.53 H new ATOM 0 HA LYS A 64 2.656 -7.558 -2.528 1.00 0.56 H new ATOM 0 HB2 LYS A 64 4.270 -8.617 -4.905 1.00 0.84 H new ATOM 0 HB3 LYS A 64 2.640 -9.135 -4.522 1.00 0.84 H new ATOM 0 HG2 LYS A 64 1.834 -6.768 -4.746 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.464 -6.250 -5.130 1.00 0.94 H new ATOM 0 HD2 LYS A 64 3.496 -7.788 -7.111 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.876 -8.333 -6.722 1.00 1.11 H new ATOM 0 HE2 LYS A 64 0.876 -6.330 -7.418 1.00 1.05 H new ATOM 0 HE3 LYS A 64 2.270 -5.356 -6.993 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 2.042 -5.559 -9.397 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 3.477 -6.308 -8.884 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 2.126 -7.252 -9.295 1.00 1.81 H new ATOM 1082 N VAL A 65 3.351 -9.597 -1.187 1.00 0.50 N ATOM 1083 CA VAL A 65 3.729 -10.841 -0.438 1.00 0.57 C ATOM 1084 C VAL A 65 2.585 -11.859 -0.623 1.00 0.63 C ATOM 1085 O VAL A 65 1.466 -11.590 -0.234 1.00 0.84 O ATOM 1086 CB VAL A 65 3.925 -10.518 1.068 1.00 0.69 C ATOM 1087 CG1 VAL A 65 5.326 -10.941 1.527 1.00 1.28 C ATOM 1088 CG2 VAL A 65 3.758 -9.014 1.319 1.00 0.69 C ATOM 0 H VAL A 65 2.552 -9.092 -0.802 1.00 0.50 H new ATOM 0 HA VAL A 65 4.666 -11.249 -0.817 1.00 0.57 H new ATOM 0 HB VAL A 65 3.172 -11.069 1.631 1.00 0.69 H new ATOM 0 HG11 VAL A 65 5.448 -10.708 2.585 1.00 1.28 H new ATOM 0 HG12 VAL A 65 5.450 -12.013 1.375 1.00 1.28 H new ATOM 0 HG13 VAL A 65 6.076 -10.403 0.948 1.00 1.28 H new ATOM 0 HG21 VAL A 65 3.898 -8.804 2.379 1.00 0.69 H new ATOM 0 HG22 VAL A 65 4.499 -8.464 0.739 1.00 0.69 H new ATOM 0 HG23 VAL A 65 2.758 -8.704 1.017 1.00 0.69 H new ATOM 1098 N PRO A 66 2.827 -13.006 -1.219 1.00 0.81 N ATOM 1099 CA PRO A 66 1.751 -14.015 -1.445 1.00 0.96 C ATOM 1100 C PRO A 66 1.410 -14.820 -0.187 1.00 0.95 C ATOM 1101 O PRO A 66 1.837 -14.508 0.907 1.00 1.13 O ATOM 1102 CB PRO A 66 2.344 -14.924 -2.526 1.00 1.25 C ATOM 1103 CG PRO A 66 3.816 -14.887 -2.278 1.00 1.65 C ATOM 1104 CD PRO A 66 4.124 -13.484 -1.742 1.00 1.18 C ATOM 0 HA PRO A 66 0.810 -13.544 -1.729 1.00 0.96 H new ATOM 0 HB2 PRO A 66 1.954 -15.939 -2.449 1.00 1.25 H new ATOM 0 HB3 PRO A 66 2.100 -14.564 -3.525 1.00 1.25 H new ATOM 0 HG2 PRO A 66 4.109 -15.652 -1.559 1.00 1.65 H new ATOM 0 HG3 PRO A 66 4.370 -15.084 -3.196 1.00 1.65 H new ATOM 0 HD2 PRO A 66 4.883 -13.514 -0.960 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.502 -12.831 -2.528 1.00 1.18 H new ATOM 1112 N ARG A 67 0.635 -15.860 -0.351 1.00 1.01 N ATOM 1113 CA ARG A 67 0.235 -16.717 0.802 1.00 1.04 C ATOM 1114 C ARG A 67 0.273 -18.183 0.357 1.00 1.22 C ATOM 1115 O ARG A 67 0.839 -18.511 -0.667 1.00 1.43 O ATOM 1116 CB ARG A 67 -1.182 -16.344 1.244 1.00 1.12 C ATOM 1117 CG ARG A 67 -2.172 -16.637 0.112 1.00 1.26 C ATOM 1118 CD ARG A 67 -3.558 -16.085 0.464 1.00 1.35 C ATOM 1119 NE ARG A 67 -3.913 -16.411 1.883 1.00 2.34 N ATOM 1120 CZ ARG A 67 -3.912 -17.637 2.336 1.00 3.01 C ATOM 1121 NH1 ARG A 67 -3.716 -18.646 1.532 1.00 3.04 N ATOM 1122 NH2 ARG A 67 -4.155 -17.858 3.598 1.00 4.09 N ATOM 0 H ARG A 67 0.257 -16.156 -1.251 1.00 1.01 H new ATOM 0 HA ARG A 67 0.918 -16.568 1.638 1.00 1.04 H new ATOM 0 HB2 ARG A 67 -1.456 -16.910 2.135 1.00 1.12 H new ATOM 0 HB3 ARG A 67 -1.223 -15.288 1.512 1.00 1.12 H new ATOM 0 HG2 ARG A 67 -1.818 -16.187 -0.816 1.00 1.26 H new ATOM 0 HG3 ARG A 67 -2.233 -17.712 -0.058 1.00 1.26 H new ATOM 0 HD2 ARG A 67 -3.572 -15.005 0.319 1.00 1.35 H new ATOM 0 HD3 ARG A 67 -4.305 -16.507 -0.209 1.00 1.35 H new ATOM 0 HE ARG A 67 -4.164 -15.651 2.516 1.00 2.34 H new ATOM 0 HH11 ARG A 67 -3.561 -18.483 0.537 1.00 3.04 H new ATOM 0 HH12 ARG A 67 -3.718 -19.598 1.898 1.00 3.04 H new ATOM 0 HH21 ARG A 67 -4.344 -17.076 4.225 1.00 4.09 H new ATOM 0 HH22 ARG A 67 -4.156 -18.812 3.958 1.00 4.09 H new ATOM 1136 N ASP A 68 -0.324 -19.070 1.105 1.00 1.37 N ATOM 1137 CA ASP A 68 -0.307 -20.505 0.698 1.00 1.69 C ATOM 1138 C ASP A 68 -1.169 -20.692 -0.555 1.00 1.82 C ATOM 1139 O ASP A 68 -2.153 -20.007 -0.753 1.00 1.72 O ATOM 1140 CB ASP A 68 -0.847 -21.369 1.838 1.00 2.04 C ATOM 1141 CG ASP A 68 0.161 -21.379 2.989 1.00 2.36 C ATOM 1142 OD1 ASP A 68 1.349 -21.391 2.709 1.00 2.80 O ATOM 1143 OD2 ASP A 68 -0.271 -21.371 4.130 1.00 2.84 O ATOM 0 H ASP A 68 -0.819 -18.867 1.973 1.00 1.37 H new ATOM 0 HA ASP A 68 0.716 -20.808 0.476 1.00 1.69 H new ATOM 0 HB2 ASP A 68 -1.805 -20.979 2.182 1.00 2.04 H new ATOM 0 HB3 ASP A 68 -1.024 -22.385 1.486 1.00 2.04 H new ATOM 1148 N ASP A 69 -0.796 -21.608 -1.407 1.00 2.20 N ATOM 1149 CA ASP A 69 -1.572 -21.840 -2.661 1.00 2.51 C ATOM 1150 C ASP A 69 -2.926 -22.477 -2.335 1.00 2.64 C ATOM 1151 O ASP A 69 -3.794 -22.580 -3.179 1.00 2.81 O ATOM 1152 CB ASP A 69 -0.786 -22.783 -3.574 1.00 2.99 C ATOM 1153 CG ASP A 69 0.516 -22.109 -4.013 1.00 3.02 C ATOM 1154 OD1 ASP A 69 0.591 -20.895 -3.928 1.00 3.46 O ATOM 1155 OD2 ASP A 69 1.419 -22.821 -4.421 1.00 3.02 O ATOM 0 H ASP A 69 0.019 -22.210 -1.288 1.00 2.20 H new ATOM 0 HA ASP A 69 -1.735 -20.884 -3.158 1.00 2.51 H new ATOM 0 HB2 ASP A 69 -0.567 -23.713 -3.050 1.00 2.99 H new ATOM 0 HB3 ASP A 69 -1.385 -23.043 -4.447 1.00 2.99 H new ATOM 1160 N LYS A 70 -3.106 -22.924 -1.125 1.00 2.71 N ATOM 1161 CA LYS A 70 -4.392 -23.578 -0.754 1.00 3.01 C ATOM 1162 C LYS A 70 -5.557 -22.604 -0.950 1.00 2.88 C ATOM 1163 O LYS A 70 -6.627 -22.992 -1.376 1.00 3.27 O ATOM 1164 CB LYS A 70 -4.340 -24.015 0.711 1.00 3.24 C ATOM 1165 CG LYS A 70 -3.351 -25.171 0.864 1.00 3.55 C ATOM 1166 CD LYS A 70 -3.298 -25.609 2.329 1.00 3.99 C ATOM 1167 CE LYS A 70 -2.308 -26.766 2.482 1.00 4.15 C ATOM 1168 NZ LYS A 70 -2.240 -27.174 3.914 1.00 4.50 N ATOM 0 H LYS A 70 -2.417 -22.865 -0.375 1.00 2.71 H new ATOM 0 HA LYS A 70 -4.542 -24.448 -1.394 1.00 3.01 H new ATOM 0 HB2 LYS A 70 -4.038 -23.178 1.341 1.00 3.24 H new ATOM 0 HB3 LYS A 70 -5.331 -24.323 1.045 1.00 3.24 H new ATOM 0 HG2 LYS A 70 -3.653 -26.008 0.234 1.00 3.55 H new ATOM 0 HG3 LYS A 70 -2.360 -24.862 0.530 1.00 3.55 H new ATOM 0 HD2 LYS A 70 -2.996 -24.772 2.959 1.00 3.99 H new ATOM 0 HD3 LYS A 70 -4.289 -25.918 2.663 1.00 3.99 H new ATOM 0 HE2 LYS A 70 -2.620 -27.610 1.867 1.00 4.15 H new ATOM 0 HE3 LYS A 70 -1.321 -26.463 2.131 1.00 4.15 H new ATOM 0 HZ1 LYS A 70 -1.567 -27.960 4.019 1.00 4.50 H new ATOM 0 HZ2 LYS A 70 -1.923 -26.368 4.490 1.00 4.50 H new ATOM 0 HZ3 LYS A 70 -3.182 -27.479 4.233 1.00 4.50 H new ATOM 1182 N LYS A 71 -5.367 -21.350 -0.626 1.00 2.51 N ATOM 1183 CA LYS A 71 -6.467 -20.344 -0.770 1.00 2.52 C ATOM 1184 C LYS A 71 -6.022 -19.203 -1.689 1.00 2.41 C ATOM 1185 O LYS A 71 -5.626 -18.151 -1.227 1.00 2.53 O ATOM 1186 CB LYS A 71 -6.790 -19.772 0.611 1.00 2.71 C ATOM 1187 CG LYS A 71 -7.072 -20.919 1.581 1.00 3.18 C ATOM 1188 CD LYS A 71 -7.748 -20.376 2.842 1.00 3.84 C ATOM 1189 CE LYS A 71 -6.836 -19.351 3.523 1.00 4.55 C ATOM 1190 NZ LYS A 71 -6.974 -18.033 2.841 1.00 5.12 N ATOM 0 H LYS A 71 -4.490 -20.976 -0.265 1.00 2.51 H new ATOM 0 HA LYS A 71 -7.345 -20.826 -1.200 1.00 2.52 H new ATOM 0 HB2 LYS A 71 -5.955 -19.172 0.973 1.00 2.71 H new ATOM 0 HB3 LYS A 71 -7.655 -19.111 0.550 1.00 2.71 H new ATOM 0 HG2 LYS A 71 -7.712 -21.661 1.105 1.00 3.18 H new ATOM 0 HG3 LYS A 71 -6.142 -21.422 1.844 1.00 3.18 H new ATOM 0 HD2 LYS A 71 -8.700 -19.913 2.584 1.00 3.84 H new ATOM 0 HD3 LYS A 71 -7.967 -21.194 3.529 1.00 3.84 H new ATOM 0 HE2 LYS A 71 -7.100 -19.257 4.576 1.00 4.55 H new ATOM 0 HE3 LYS A 71 -5.800 -19.687 3.483 1.00 4.55 H new ATOM 0 HZ1 LYS A 71 -6.773 -17.269 3.518 1.00 5.12 H new ATOM 0 HZ2 LYS A 71 -6.302 -17.980 2.049 1.00 5.12 H new ATOM 0 HZ3 LYS A 71 -7.944 -17.929 2.480 1.00 5.12 H new ATOM 1204 N PRO A 72 -6.090 -19.399 -2.981 1.00 2.64 N ATOM 1205 CA PRO A 72 -5.692 -18.359 -3.967 1.00 2.88 C ATOM 1206 C PRO A 72 -6.810 -17.342 -4.195 1.00 2.93 C ATOM 1207 O PRO A 72 -6.677 -16.402 -4.955 1.00 3.55 O ATOM 1208 CB PRO A 72 -5.411 -19.171 -5.233 1.00 3.42 C ATOM 1209 CG PRO A 72 -6.325 -20.354 -5.144 1.00 3.63 C ATOM 1210 CD PRO A 72 -6.551 -20.630 -3.649 1.00 3.15 C ATOM 0 HA PRO A 72 -4.838 -17.767 -3.638 1.00 2.88 H new ATOM 0 HB2 PRO A 72 -5.610 -18.585 -6.130 1.00 3.42 H new ATOM 0 HB3 PRO A 72 -4.367 -19.481 -5.280 1.00 3.42 H new ATOM 0 HG2 PRO A 72 -7.271 -20.150 -5.647 1.00 3.63 H new ATOM 0 HG3 PRO A 72 -5.883 -21.221 -5.635 1.00 3.63 H new ATOM 0 HD2 PRO A 72 -7.601 -20.830 -3.435 1.00 3.15 H new ATOM 0 HD3 PRO A 72 -5.986 -21.500 -3.315 1.00 3.15 H new ATOM 1218 N GLY A 73 -7.908 -17.533 -3.529 1.00 2.75 N ATOM 1219 CA GLY A 73 -9.055 -16.595 -3.677 1.00 3.15 C ATOM 1220 C GLY A 73 -8.665 -15.221 -3.129 1.00 2.55 C ATOM 1221 O GLY A 73 -8.961 -14.200 -3.718 1.00 2.83 O ATOM 0 H GLY A 73 -8.065 -18.305 -2.881 1.00 2.75 H new ATOM 0 HA2 GLY A 73 -9.338 -16.513 -4.726 1.00 3.15 H new ATOM 0 HA3 GLY A 73 -9.924 -16.979 -3.142 1.00 3.15 H new ATOM 1225 N LYS A 74 -8.002 -15.186 -2.005 1.00 2.13 N ATOM 1226 CA LYS A 74 -7.593 -13.877 -1.422 1.00 1.96 C ATOM 1227 C LYS A 74 -6.379 -13.344 -2.185 1.00 1.78 C ATOM 1228 O LYS A 74 -5.490 -14.087 -2.551 1.00 2.25 O ATOM 1229 CB LYS A 74 -7.227 -14.063 0.053 1.00 2.32 C ATOM 1230 CG LYS A 74 -8.478 -14.447 0.846 1.00 2.88 C ATOM 1231 CD LYS A 74 -8.111 -14.632 2.320 1.00 3.39 C ATOM 1232 CE LYS A 74 -9.359 -15.027 3.114 1.00 4.03 C ATOM 1233 NZ LYS A 74 -10.352 -13.916 3.078 1.00 4.36 N ATOM 0 H LYS A 74 -7.726 -16.007 -1.466 1.00 2.13 H new ATOM 0 HA LYS A 74 -8.418 -13.169 -1.502 1.00 1.96 H new ATOM 0 HB2 LYS A 74 -6.467 -14.838 0.155 1.00 2.32 H new ATOM 0 HB3 LYS A 74 -6.800 -13.143 0.451 1.00 2.32 H new ATOM 0 HG2 LYS A 74 -9.238 -13.673 0.744 1.00 2.88 H new ATOM 0 HG3 LYS A 74 -8.905 -15.368 0.448 1.00 2.88 H new ATOM 0 HD2 LYS A 74 -7.345 -15.401 2.421 1.00 3.39 H new ATOM 0 HD3 LYS A 74 -7.691 -13.709 2.719 1.00 3.39 H new ATOM 0 HE2 LYS A 74 -9.797 -15.932 2.694 1.00 4.03 H new ATOM 0 HE3 LYS A 74 -9.089 -15.252 4.146 1.00 4.03 H new ATOM 0 HZ1 LYS A 74 -11.035 -14.036 3.853 1.00 4.36 H new ATOM 0 HZ2 LYS A 74 -9.860 -13.007 3.188 1.00 4.36 H new ATOM 0 HZ3 LYS A 74 -10.855 -13.929 2.168 1.00 4.36 H new ATOM 1247 N GLY A 75 -6.331 -12.062 -2.425 1.00 1.86 N ATOM 1248 CA GLY A 75 -5.171 -11.489 -3.162 1.00 2.03 C ATOM 1249 C GLY A 75 -3.913 -11.617 -2.301 1.00 1.56 C ATOM 1250 O GLY A 75 -3.945 -12.167 -1.218 1.00 1.89 O ATOM 0 H GLY A 75 -7.043 -11.389 -2.143 1.00 1.86 H new ATOM 0 HA2 GLY A 75 -5.033 -12.011 -4.109 1.00 2.03 H new ATOM 0 HA3 GLY A 75 -5.358 -10.442 -3.400 1.00 2.03 H new ATOM 1254 N SER A 76 -2.804 -11.120 -2.773 1.00 1.22 N ATOM 1255 CA SER A 76 -1.547 -11.221 -1.979 1.00 0.88 C ATOM 1256 C SER A 76 -1.525 -10.129 -0.908 1.00 0.69 C ATOM 1257 O SER A 76 -2.219 -9.136 -1.003 1.00 0.93 O ATOM 1258 CB SER A 76 -0.345 -11.050 -2.908 1.00 1.12 C ATOM 1259 OG SER A 76 -0.249 -12.183 -3.761 1.00 1.80 O ATOM 0 H SER A 76 -2.713 -10.649 -3.673 1.00 1.22 H new ATOM 0 HA SER A 76 -1.500 -12.198 -1.498 1.00 0.88 H new ATOM 0 HB2 SER A 76 -0.455 -10.142 -3.501 1.00 1.12 H new ATOM 0 HB3 SER A 76 0.569 -10.941 -2.324 1.00 1.12 H new ATOM 0 HG SER A 76 0.519 -12.077 -4.360 1.00 1.80 H new ATOM 1265 N TYR A 77 -0.730 -10.307 0.111 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.656 -9.284 1.191 1.00 0.46 C ATOM 1267 C TYR A 77 0.051 -8.035 0.668 1.00 0.38 C ATOM 1268 O TYR A 77 0.889 -8.111 -0.208 1.00 0.50 O ATOM 1269 CB TYR A 77 0.141 -9.837 2.369 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.641 -10.941 3.043 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -1.838 -10.647 3.706 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -0.174 -12.262 2.996 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.568 -11.671 4.321 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.903 -13.285 3.613 1.00 1.32 C ATOM 1275 CZ TYR A 77 -2.101 -12.991 4.274 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.822 -14.000 4.880 1.00 0.90 O ATOM 0 H TYR A 77 -0.127 -11.119 0.242 1.00 0.60 H new ATOM 0 HA TYR A 77 -1.668 -9.034 1.511 1.00 0.46 H new ATOM 0 HB2 TYR A 77 1.102 -10.218 2.023 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.353 -9.041 3.083 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.199 -9.630 3.743 1.00 1.39 H new ATOM 0 HD2 TYR A 77 0.749 -12.490 2.483 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -3.492 -11.443 4.832 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -0.541 -14.302 3.579 1.00 1.32 H new ATOM 0 HH TYR A 77 -2.359 -14.854 4.753 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.280 -6.888 1.202 1.00 0.32 N ATOM 1287 CA TRP A 78 0.368 -5.618 0.752 1.00 0.31 C ATOM 1288 C TRP A 78 1.057 -4.948 1.943 1.00 0.32 C ATOM 1289 O TRP A 78 0.479 -4.784 2.999 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.713 -4.698 0.185 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.202 -5.285 -1.097 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.138 -6.255 -1.205 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.784 -4.966 -2.452 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.317 -6.555 -2.543 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.506 -5.784 -3.352 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.142 -4.054 -2.978 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.311 -5.697 -4.732 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.340 -3.962 -4.362 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.384 -4.782 -5.237 1.00 0.46 C ATOM 0 H TRP A 78 -0.978 -6.775 1.937 1.00 0.32 H new ATOM 0 HA TRP A 78 1.115 -5.824 -0.014 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.535 -4.596 0.894 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.311 -3.699 0.016 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.660 -6.719 -0.381 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -2.968 -7.259 -2.890 1.00 0.46 H new ATOM 0 HE3 TRP A 78 0.706 -3.418 -2.312 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.872 -6.331 -5.403 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.055 -3.255 -4.756 1.00 0.45 H new ATOM 0 HH2 TRP A 78 -0.225 -4.707 -6.303 1.00 0.46 H new ATOM 1310 N THR A 79 2.292 -4.564 1.777 1.00 0.33 N ATOM 1311 CA THR A 79 3.032 -3.909 2.891 1.00 0.37 C ATOM 1312 C THR A 79 4.218 -3.131 2.318 1.00 0.40 C ATOM 1313 O THR A 79 4.610 -3.335 1.186 1.00 0.45 O ATOM 1314 CB THR A 79 3.542 -4.982 3.857 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.224 -4.360 4.937 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.497 -5.923 3.120 1.00 0.56 C ATOM 0 H THR A 79 2.823 -4.676 0.913 1.00 0.33 H new ATOM 0 HA THR A 79 2.371 -3.225 3.423 1.00 0.37 H new ATOM 0 HB THR A 79 2.698 -5.555 4.242 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.183 -4.320 4.739 1.00 0.55 H new ATOM 0 HG21 THR A 79 4.859 -6.686 3.809 1.00 0.56 H new ATOM 0 HG22 THR A 79 3.971 -6.400 2.293 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.342 -5.354 2.732 1.00 0.56 H new ATOM 1324 N LEU A 80 4.795 -2.245 3.088 1.00 0.45 N ATOM 1325 CA LEU A 80 5.963 -1.453 2.592 1.00 0.53 C ATOM 1326 C LEU A 80 7.246 -2.010 3.214 1.00 0.74 C ATOM 1327 O LEU A 80 7.904 -1.347 3.991 1.00 1.42 O ATOM 1328 CB LEU A 80 5.802 0.010 3.010 1.00 0.54 C ATOM 1329 CG LEU A 80 4.482 0.568 2.469 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.337 2.028 2.906 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.461 0.485 0.934 1.00 0.81 C ATOM 0 H LEU A 80 4.507 -2.034 4.044 1.00 0.45 H new ATOM 0 HA LEU A 80 6.014 -1.521 1.505 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.822 0.090 4.097 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.637 0.599 2.631 1.00 0.54 H new ATOM 0 HG LEU A 80 3.654 -0.020 2.864 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.399 2.431 2.524 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.339 2.084 3.995 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.170 2.610 2.511 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.518 0.884 0.561 1.00 0.81 H new ATOM 0 HD22 LEU A 80 5.288 1.067 0.527 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.562 -0.555 0.624 1.00 0.81 H new ATOM 1343 N ASP A 81 7.607 -3.222 2.885 1.00 1.02 N ATOM 1344 CA ASP A 81 8.850 -3.815 3.468 1.00 1.23 C ATOM 1345 C ASP A 81 9.444 -4.862 2.519 1.00 1.68 C ATOM 1346 O ASP A 81 9.207 -6.044 2.670 1.00 2.48 O ATOM 1347 CB ASP A 81 8.515 -4.480 4.803 1.00 2.21 C ATOM 1348 CG ASP A 81 7.747 -3.496 5.687 1.00 3.06 C ATOM 1349 OD1 ASP A 81 8.383 -2.631 6.266 1.00 3.59 O ATOM 1350 OD2 ASP A 81 6.537 -3.624 5.770 1.00 3.72 O ATOM 0 H ASP A 81 7.098 -3.827 2.240 1.00 1.02 H new ATOM 0 HA ASP A 81 9.580 -3.020 3.617 1.00 1.23 H new ATOM 0 HB2 ASP A 81 7.918 -5.376 4.635 1.00 2.21 H new ATOM 0 HB3 ASP A 81 9.430 -4.796 5.303 1.00 2.21 H new ATOM 1355 N PRO A 82 10.212 -4.436 1.548 1.00 1.94 N ATOM 1356 CA PRO A 82 10.850 -5.360 0.563 1.00 2.93 C ATOM 1357 C PRO A 82 11.724 -6.422 1.246 1.00 3.37 C ATOM 1358 O PRO A 82 11.335 -7.564 1.385 1.00 3.55 O ATOM 1359 CB PRO A 82 11.691 -4.428 -0.333 1.00 3.39 C ATOM 1360 CG PRO A 82 11.101 -3.066 -0.149 1.00 3.08 C ATOM 1361 CD PRO A 82 10.557 -3.032 1.279 1.00 2.16 C ATOM 0 HA PRO A 82 10.111 -5.931 0.001 1.00 2.93 H new ATOM 0 HB2 PRO A 82 12.741 -4.444 -0.041 1.00 3.39 H new ATOM 0 HB3 PRO A 82 11.645 -4.739 -1.377 1.00 3.39 H new ATOM 0 HG2 PRO A 82 11.853 -2.291 -0.298 1.00 3.08 H new ATOM 0 HG3 PRO A 82 10.307 -2.883 -0.873 1.00 3.08 H new ATOM 0 HD2 PRO A 82 11.301 -2.659 1.983 1.00 2.16 H new ATOM 0 HD3 PRO A 82 9.686 -2.382 1.361 1.00 2.16 H new ATOM 1369 N ASP A 83 12.899 -6.049 1.671 1.00 3.97 N ATOM 1370 CA ASP A 83 13.813 -7.013 2.344 1.00 4.69 C ATOM 1371 C ASP A 83 14.767 -6.216 3.231 1.00 4.54 C ATOM 1372 O ASP A 83 15.954 -6.471 3.281 1.00 5.25 O ATOM 1373 CB ASP A 83 14.612 -7.785 1.291 1.00 5.64 C ATOM 1374 CG ASP A 83 13.717 -8.838 0.635 1.00 6.30 C ATOM 1375 OD1 ASP A 83 12.854 -9.363 1.320 1.00 6.58 O ATOM 1376 OD2 ASP A 83 13.907 -9.100 -0.541 1.00 6.82 O ATOM 0 H ASP A 83 13.270 -5.103 1.579 1.00 3.97 H new ATOM 0 HA ASP A 83 13.243 -7.724 2.942 1.00 4.69 H new ATOM 0 HB2 ASP A 83 14.996 -7.099 0.536 1.00 5.64 H new ATOM 0 HB3 ASP A 83 15.475 -8.264 1.754 1.00 5.64 H new ATOM 1381 N SER A 84 14.249 -5.231 3.909 1.00 3.92 N ATOM 1382 CA SER A 84 15.105 -4.376 4.777 1.00 4.33 C ATOM 1383 C SER A 84 15.786 -5.218 5.861 1.00 5.33 C ATOM 1384 O SER A 84 16.932 -4.999 6.196 1.00 6.00 O ATOM 1385 CB SER A 84 14.240 -3.301 5.437 1.00 4.14 C ATOM 1386 OG SER A 84 13.659 -2.482 4.431 1.00 4.59 O ATOM 0 H SER A 84 13.261 -4.980 3.899 1.00 3.92 H new ATOM 0 HA SER A 84 15.875 -3.910 4.162 1.00 4.33 H new ATOM 0 HB2 SER A 84 13.459 -3.765 6.040 1.00 4.14 H new ATOM 0 HB3 SER A 84 14.845 -2.695 6.111 1.00 4.14 H new ATOM 0 HG SER A 84 13.103 -1.793 4.851 1.00 4.59 H new ATOM 1392 N TYR A 85 15.096 -6.165 6.432 1.00 5.76 N ATOM 1393 CA TYR A 85 15.724 -6.989 7.507 1.00 6.92 C ATOM 1394 C TYR A 85 16.992 -7.658 6.963 1.00 7.49 C ATOM 1395 O TYR A 85 17.923 -7.930 7.695 1.00 8.23 O ATOM 1396 CB TYR A 85 14.739 -8.072 7.996 1.00 7.50 C ATOM 1397 CG TYR A 85 13.323 -7.690 7.640 1.00 8.21 C ATOM 1398 CD1 TYR A 85 12.816 -8.017 6.378 1.00 8.68 C ATOM 1399 CD2 TYR A 85 12.517 -7.025 8.570 1.00 8.68 C ATOM 1400 CE1 TYR A 85 11.500 -7.679 6.044 1.00 9.57 C ATOM 1401 CE2 TYR A 85 11.201 -6.685 8.236 1.00 9.56 C ATOM 1402 CZ TYR A 85 10.692 -7.013 6.973 1.00 9.97 C ATOM 1403 OH TYR A 85 9.393 -6.682 6.646 1.00 11.00 O ATOM 0 H TYR A 85 14.131 -6.405 6.204 1.00 5.76 H new ATOM 0 HA TYR A 85 15.980 -6.341 8.345 1.00 6.92 H new ATOM 0 HB2 TYR A 85 14.989 -9.032 7.544 1.00 7.50 H new ATOM 0 HB3 TYR A 85 14.829 -8.195 9.075 1.00 7.50 H new ATOM 0 HD1 TYR A 85 13.440 -8.530 5.662 1.00 8.68 H new ATOM 0 HD2 TYR A 85 12.910 -6.774 9.544 1.00 8.68 H new ATOM 0 HE1 TYR A 85 11.108 -7.932 5.070 1.00 9.57 H new ATOM 0 HE2 TYR A 85 10.578 -6.170 8.952 1.00 9.56 H new ATOM 0 HH TYR A 85 8.971 -6.225 7.403 1.00 11.00 H new ATOM 1413 N ASN A 86 17.031 -7.939 5.690 1.00 7.43 N ATOM 1414 CA ASN A 86 18.231 -8.605 5.113 1.00 8.27 C ATOM 1415 C ASN A 86 19.350 -7.583 4.930 1.00 8.09 C ATOM 1416 O ASN A 86 20.471 -7.920 4.602 1.00 8.83 O ATOM 1417 CB ASN A 86 17.869 -9.232 3.764 1.00 8.92 C ATOM 1418 CG ASN A 86 16.801 -10.306 3.977 1.00 9.54 C ATOM 1419 OD1 ASN A 86 15.558 -10.040 3.682 1.00 9.83 O flip ATOM 1420 ND2 ASN A 86 17.099 -11.396 4.425 1.00 10.00 N flip ATOM 0 H ASN A 86 16.284 -7.736 5.025 1.00 7.43 H new ATOM 0 HA ASN A 86 18.573 -9.387 5.791 1.00 8.27 H new ATOM 0 HB2 ASN A 86 17.500 -8.466 3.081 1.00 8.92 H new ATOM 0 HB3 ASN A 86 18.755 -9.670 3.304 1.00 8.92 H new ATOM 0 HD21 ASN A 86 18.070 -11.604 4.656 1.00 10.00 H new ATOM 0 HD22 ASN A 86 16.378 -12.102 4.570 1.00 10.00 H new ATOM 1427 N MET A 87 19.051 -6.336 5.146 1.00 7.32 N ATOM 1428 CA MET A 87 20.092 -5.276 4.993 1.00 7.47 C ATOM 1429 C MET A 87 20.790 -5.064 6.338 1.00 8.26 C ATOM 1430 O MET A 87 20.248 -4.457 7.240 1.00 8.47 O ATOM 1431 CB MET A 87 19.431 -3.967 4.554 1.00 6.75 C ATOM 1432 CG MET A 87 18.888 -4.119 3.132 1.00 6.65 C ATOM 1433 SD MET A 87 17.898 -2.665 2.706 1.00 7.12 S ATOM 1434 CE MET A 87 17.128 -3.345 1.216 1.00 7.20 C ATOM 0 H MET A 87 18.129 -6.000 5.423 1.00 7.32 H new ATOM 0 HA MET A 87 20.819 -5.583 4.242 1.00 7.47 H new ATOM 0 HB2 MET A 87 18.622 -3.709 5.238 1.00 6.75 H new ATOM 0 HB3 MET A 87 20.154 -3.152 4.593 1.00 6.75 H new ATOM 0 HG2 MET A 87 19.712 -4.231 2.427 1.00 6.65 H new ATOM 0 HG3 MET A 87 18.280 -5.021 3.058 1.00 6.65 H new ATOM 0 HE1 MET A 87 16.462 -2.601 0.779 1.00 7.20 H new ATOM 0 HE2 MET A 87 17.901 -3.608 0.494 1.00 7.20 H new ATOM 0 HE3 MET A 87 16.556 -4.236 1.476 1.00 7.20 H new ATOM 1444 N PHE A 88 21.988 -5.562 6.484 1.00 8.91 N ATOM 1445 CA PHE A 88 22.723 -5.396 7.773 1.00 9.87 C ATOM 1446 C PHE A 88 23.607 -4.148 7.712 1.00 10.04 C ATOM 1447 O PHE A 88 24.298 -3.823 8.657 1.00 10.49 O ATOM 1448 CB PHE A 88 23.585 -6.636 8.024 1.00 10.68 C ATOM 1449 CG PHE A 88 24.536 -6.844 6.869 1.00 10.96 C ATOM 1450 CD1 PHE A 88 24.140 -7.610 5.766 1.00 11.40 C ATOM 1451 CD2 PHE A 88 25.814 -6.273 6.902 1.00 11.04 C ATOM 1452 CE1 PHE A 88 25.022 -7.805 4.696 1.00 11.89 C ATOM 1453 CE2 PHE A 88 26.696 -6.470 5.832 1.00 11.55 C ATOM 1454 CZ PHE A 88 26.300 -7.236 4.729 1.00 11.97 C ATOM 0 H PHE A 88 22.492 -6.079 5.764 1.00 8.91 H new ATOM 0 HA PHE A 88 22.008 -5.279 8.588 1.00 9.87 H new ATOM 0 HB2 PHE A 88 24.146 -6.518 8.951 1.00 10.68 H new ATOM 0 HB3 PHE A 88 22.949 -7.513 8.145 1.00 10.68 H new ATOM 0 HD1 PHE A 88 23.154 -8.051 5.740 1.00 11.40 H new ATOM 0 HD2 PHE A 88 26.119 -5.681 7.752 1.00 11.04 H new ATOM 0 HE1 PHE A 88 24.716 -8.395 3.845 1.00 11.89 H new ATOM 0 HE2 PHE A 88 27.682 -6.031 5.858 1.00 11.55 H new ATOM 0 HZ PHE A 88 26.980 -7.388 3.904 1.00 11.97 H new ATOM 1464 N GLU A 89 23.596 -3.447 6.608 1.00 9.91 N ATOM 1465 CA GLU A 89 24.439 -2.218 6.481 1.00 10.34 C ATOM 1466 C GLU A 89 23.586 -0.974 6.751 1.00 10.29 C ATOM 1467 O GLU A 89 22.381 -0.989 6.598 1.00 10.13 O ATOM 1468 CB GLU A 89 25.018 -2.148 5.067 1.00 10.80 C ATOM 1469 CG GLU A 89 26.066 -3.250 4.897 1.00 11.18 C ATOM 1470 CD GLU A 89 26.653 -3.190 3.485 1.00 11.50 C ATOM 1471 OE1 GLU A 89 26.176 -2.388 2.700 1.00 11.95 O ATOM 1472 OE2 GLU A 89 27.572 -3.946 3.215 1.00 11.46 O ATOM 0 H GLU A 89 23.038 -3.673 5.785 1.00 9.91 H new ATOM 0 HA GLU A 89 25.251 -2.257 7.207 1.00 10.34 H new ATOM 0 HB2 GLU A 89 24.224 -2.268 4.330 1.00 10.80 H new ATOM 0 HB3 GLU A 89 25.469 -1.171 4.894 1.00 10.80 H new ATOM 0 HG2 GLU A 89 26.858 -3.129 5.636 1.00 11.18 H new ATOM 0 HG3 GLU A 89 25.613 -4.226 5.072 1.00 11.18 H new ATOM 1479 N ASN A 90 24.207 0.102 7.161 1.00 10.66 N ATOM 1480 CA ASN A 90 23.448 1.354 7.457 1.00 10.92 C ATOM 1481 C ASN A 90 23.362 2.221 6.201 1.00 10.88 C ATOM 1482 O ASN A 90 22.963 3.368 6.249 1.00 11.22 O ATOM 1483 CB ASN A 90 24.173 2.135 8.554 1.00 11.73 C ATOM 1484 CG ASN A 90 25.553 2.555 8.043 1.00 12.01 C ATOM 1485 OD1 ASN A 90 26.074 1.968 7.116 1.00 12.15 O ATOM 1486 ND2 ASN A 90 26.171 3.555 8.610 1.00 12.32 N ATOM 0 H ASN A 90 25.215 0.167 7.304 1.00 10.66 H new ATOM 0 HA ASN A 90 22.442 1.094 7.786 1.00 10.92 H new ATOM 0 HB2 ASN A 90 23.593 3.014 8.835 1.00 11.73 H new ATOM 0 HB3 ASN A 90 24.275 1.520 9.448 1.00 11.73 H new ATOM 0 HD21 ASN A 90 27.090 3.843 8.275 1.00 12.32 H new ATOM 0 HD22 ASN A 90 25.735 4.049 9.389 1.00 12.32 H new ATOM 1493 N GLY A 91 23.736 1.680 5.081 1.00 10.70 N ATOM 1494 CA GLY A 91 23.684 2.463 3.815 1.00 10.95 C ATOM 1495 C GLY A 91 24.393 1.675 2.716 1.00 10.92 C ATOM 1496 O GLY A 91 25.462 2.036 2.266 1.00 11.16 O ATOM 0 H GLY A 91 24.078 0.724 4.984 1.00 10.70 H new ATOM 0 HA2 GLY A 91 22.649 2.655 3.533 1.00 10.95 H new ATOM 0 HA3 GLY A 91 24.162 3.433 3.952 1.00 10.95 H new ATOM 1500 N SER A 92 23.804 0.594 2.287 1.00 10.86 N ATOM 1501 CA SER A 92 24.440 -0.229 1.224 1.00 11.09 C ATOM 1502 C SER A 92 24.343 0.503 -0.117 1.00 10.83 C ATOM 1503 O SER A 92 25.331 0.955 -0.660 1.00 11.37 O ATOM 1504 CB SER A 92 23.717 -1.576 1.137 1.00 11.62 C ATOM 1505 OG SER A 92 24.557 -2.519 0.488 1.00 11.80 O ATOM 0 H SER A 92 22.908 0.245 2.628 1.00 10.86 H new ATOM 0 HA SER A 92 25.491 -0.395 1.462 1.00 11.09 H new ATOM 0 HB2 SER A 92 23.459 -1.928 2.136 1.00 11.62 H new ATOM 0 HB3 SER A 92 22.783 -1.465 0.587 1.00 11.62 H new ATOM 0 HG SER A 92 25.325 -2.722 1.062 1.00 11.80 H new ATOM 1511 N PHE A 93 23.161 0.619 -0.656 1.00 10.20 N ATOM 1512 CA PHE A 93 23.002 1.320 -1.961 1.00 10.20 C ATOM 1513 C PHE A 93 23.178 2.829 -1.766 1.00 10.57 C ATOM 1514 O PHE A 93 23.628 3.531 -2.650 1.00 10.63 O ATOM 1515 CB PHE A 93 21.610 1.043 -2.532 1.00 9.65 C ATOM 1516 CG PHE A 93 21.550 1.546 -3.955 1.00 9.86 C ATOM 1517 CD1 PHE A 93 21.171 2.868 -4.221 1.00 10.01 C ATOM 1518 CD2 PHE A 93 21.882 0.688 -5.011 1.00 10.19 C ATOM 1519 CE1 PHE A 93 21.123 3.330 -5.543 1.00 10.47 C ATOM 1520 CE2 PHE A 93 21.834 1.150 -6.332 1.00 10.65 C ATOM 1521 CZ PHE A 93 21.454 2.470 -6.598 1.00 10.78 C ATOM 0 H PHE A 93 22.298 0.259 -0.249 1.00 10.20 H new ATOM 0 HA PHE A 93 23.759 0.953 -2.654 1.00 10.20 H new ATOM 0 HB2 PHE A 93 21.397 -0.026 -2.502 1.00 9.65 H new ATOM 0 HB3 PHE A 93 20.850 1.537 -1.926 1.00 9.65 H new ATOM 0 HD1 PHE A 93 20.916 3.531 -3.407 1.00 10.01 H new ATOM 0 HD2 PHE A 93 22.175 -0.331 -4.806 1.00 10.19 H new ATOM 0 HE1 PHE A 93 20.831 4.349 -5.749 1.00 10.47 H new ATOM 0 HE2 PHE A 93 22.090 0.487 -7.145 1.00 10.65 H new ATOM 0 HZ PHE A 93 21.416 2.826 -7.617 1.00 10.78 H new ATOM 1531 N LEU A 94 22.800 3.339 -0.623 1.00 11.03 N ATOM 1532 CA LEU A 94 22.918 4.807 -0.383 1.00 11.62 C ATOM 1533 C LEU A 94 24.381 5.238 -0.505 1.00 11.71 C ATOM 1534 O LEU A 94 24.681 6.266 -1.079 1.00 11.98 O ATOM 1535 CB LEU A 94 22.418 5.130 1.028 1.00 12.28 C ATOM 1536 CG LEU A 94 20.953 4.704 1.183 1.00 12.70 C ATOM 1537 CD1 LEU A 94 20.485 5.037 2.602 1.00 13.06 C ATOM 1538 CD2 LEU A 94 20.071 5.438 0.161 1.00 13.12 C ATOM 0 H LEU A 94 22.415 2.802 0.154 1.00 11.03 H new ATOM 0 HA LEU A 94 22.320 5.340 -1.122 1.00 11.62 H new ATOM 0 HB2 LEU A 94 23.034 4.616 1.766 1.00 12.28 H new ATOM 0 HB3 LEU A 94 22.516 6.198 1.220 1.00 12.28 H new ATOM 0 HG LEU A 94 20.870 3.632 1.006 1.00 12.70 H new ATOM 0 HD11 LEU A 94 19.444 4.737 2.721 1.00 13.06 H new ATOM 0 HD12 LEU A 94 21.102 4.501 3.324 1.00 13.06 H new ATOM 0 HD13 LEU A 94 20.576 6.110 2.773 1.00 13.06 H new ATOM 0 HD21 LEU A 94 19.034 5.125 0.284 1.00 13.12 H new ATOM 0 HD22 LEU A 94 20.147 6.514 0.321 1.00 13.12 H new ATOM 0 HD23 LEU A 94 20.406 5.197 -0.848 1.00 13.12 H new TER 1550 LEU A 94