USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 26 TYR OH : rot 25:sc= 0.115 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= -0.0195 USER MOD Set 2.1: A 11 SER OG : rot -117:sc= 0.448 USER MOD Set 2.2: A 21 ASN : amide:sc= 0.399 K(o=0.85,f=-6.2!) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 24 ASN : amide:sc= -2.2 K(o=-2.2,f=-1.7) USER MOD Set 4.1: A 2 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Set 4.2: A 86 THR OG1 : rot 150:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -165:sc= -0.0122 (180deg=-0.266) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.416 K(o=-0.42,f=-1.9) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.1) USER MOD Single : A 20 SER OG : rot 41:sc= 0.00407 USER MOD Single : A 31 HIS : no HD1:sc= -1.01 K(o=-1,f=-4.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0.422 (180deg=0.421) USER MOD Single : A 42 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.43) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0537) USER MOD Single : A 51 HIS : no HD1:sc= -0.0354 K(o=-0.035,f=-2) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.286 USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0111) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 TYR OH : rot 15:sc= -1.16 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 79:sc= 0.557 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.674) USER MOD Single : A 78 TYR OH : rot 39:sc= 0.826 USER MOD Single : A 83 ASN : amide:sc= 0.0958 K(o=0.096,f=-4.1!) USER MOD Single : A 84 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-6.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.768 -20.935 0.614 1.00 0.00 N ATOM 2 CA MET A 0 -9.542 -22.224 -0.065 1.00 0.00 C ATOM 3 C MET A 0 -8.044 -22.529 -0.141 1.00 0.00 C ATOM 4 O MET A 0 -7.539 -23.307 0.666 1.00 0.00 O ATOM 5 CB MET A 0 -10.214 -22.257 -1.446 1.00 0.00 C ATOM 6 CG MET A 0 -11.741 -22.164 -1.340 1.00 0.00 C ATOM 7 SD MET A 0 -12.594 -22.213 -2.936 1.00 0.00 S ATOM 8 CE MET A 0 -14.310 -22.165 -2.356 1.00 0.00 C ATOM 0 H1 MET A 0 -10.769 -20.857 0.886 1.00 0.00 H new ATOM 0 H2 MET A 0 -9.173 -20.882 1.465 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.522 -20.156 -0.029 1.00 0.00 H new ATOM 0 HA MET A 0 -10.010 -23.013 0.524 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.841 -21.431 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 0 -9.941 -23.178 -1.961 1.00 0.00 H new ATOM 0 HG2 MET A 0 -12.103 -22.985 -0.721 1.00 0.00 H new ATOM 0 HG3 MET A 0 -12.004 -21.239 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 0 -14.984 -22.188 -3.212 1.00 0.00 H new ATOM 0 HE2 MET A 0 -14.503 -23.028 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 0 -14.476 -21.250 -1.788 1.00 0.00 H new ATOM 20 N ILE A 1 -7.335 -21.878 -1.072 1.00 0.00 N ATOM 21 CA ILE A 1 -5.875 -21.886 -1.159 1.00 0.00 C ATOM 22 C ILE A 1 -5.364 -20.466 -1.452 1.00 0.00 C ATOM 23 O ILE A 1 -4.275 -20.278 -1.989 1.00 0.00 O ATOM 24 CB ILE A 1 -5.422 -22.963 -2.166 1.00 0.00 C ATOM 25 CG1 ILE A 1 -3.908 -23.247 -2.208 1.00 0.00 C ATOM 26 CG2 ILE A 1 -5.905 -22.621 -3.578 1.00 0.00 C ATOM 27 CD1 ILE A 1 -3.289 -23.497 -0.830 1.00 0.00 C ATOM 0 H ILE A 1 -7.775 -21.318 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 1 -5.423 -22.166 -0.207 1.00 0.00 H new ATOM 0 HB ILE A 1 -5.885 -23.878 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.728 -24.116 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -3.402 -22.403 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -5.575 -23.393 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.994 -22.566 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.491 -21.659 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.222 -23.690 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.436 -22.620 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.768 -24.360 -0.367 1.00 0.00 H new ATOM 39 N GLN A 2 -6.159 -19.456 -1.079 1.00 0.00 N ATOM 40 CA GLN A 2 -5.853 -18.057 -1.308 1.00 0.00 C ATOM 41 C GLN A 2 -5.083 -17.520 -0.104 1.00 0.00 C ATOM 42 O GLN A 2 -5.682 -17.268 0.941 1.00 0.00 O ATOM 43 CB GLN A 2 -7.155 -17.272 -1.530 1.00 0.00 C ATOM 44 CG GLN A 2 -7.923 -17.760 -2.768 1.00 0.00 C ATOM 45 CD GLN A 2 -8.960 -16.741 -3.241 1.00 0.00 C ATOM 46 OE1 GLN A 2 -9.446 -15.926 -2.460 1.00 0.00 O ATOM 47 NE2 GLN A 2 -9.298 -16.777 -4.532 1.00 0.00 N ATOM 0 H GLN A 2 -7.048 -19.601 -0.601 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.237 -17.944 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.790 -17.368 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.924 -16.213 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.218 -17.961 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.420 -18.702 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.874 -17.468 -5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.980 -16.114 -4.899 1.00 0.00 H new ATOM 56 N ARG A 3 -3.765 -17.324 -0.247 1.00 0.00 N ATOM 57 CA ARG A 3 -2.993 -16.574 0.728 1.00 0.00 C ATOM 58 C ARG A 3 -3.337 -15.099 0.510 1.00 0.00 C ATOM 59 O ARG A 3 -3.003 -14.528 -0.528 1.00 0.00 O ATOM 60 CB ARG A 3 -1.498 -16.870 0.546 1.00 0.00 C ATOM 61 CG ARG A 3 -1.015 -18.100 1.332 1.00 0.00 C ATOM 62 CD ARG A 3 -0.409 -17.709 2.689 1.00 0.00 C ATOM 63 NE ARG A 3 -1.378 -17.034 3.564 1.00 0.00 N ATOM 64 CZ ARG A 3 -2.265 -17.658 4.359 1.00 0.00 C ATOM 65 NH1 ARG A 3 -2.324 -18.997 4.400 1.00 0.00 N ATOM 66 NH2 ARG A 3 -3.102 -16.940 5.119 1.00 0.00 N ATOM 0 H ARG A 3 -3.219 -17.679 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.232 -16.854 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.292 -17.022 -0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.923 -15.999 0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.851 -18.781 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.272 -18.638 0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.035 -18.603 3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.447 -17.054 2.526 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.378 -16.014 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.692 -19.553 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.001 -19.459 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.066 -15.921 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.775 -17.412 5.722 1.00 0.00 H new ATOM 80 N THR A 4 -4.068 -14.517 1.466 1.00 0.00 N ATOM 81 CA THR A 4 -4.672 -13.198 1.349 1.00 0.00 C ATOM 82 C THR A 4 -3.625 -12.108 1.620 1.00 0.00 C ATOM 83 O THR A 4 -2.836 -12.255 2.554 1.00 0.00 O ATOM 84 CB THR A 4 -5.830 -13.105 2.359 1.00 0.00 C ATOM 85 OG1 THR A 4 -6.669 -14.235 2.222 1.00 0.00 O ATOM 86 CG2 THR A 4 -6.679 -11.843 2.174 1.00 0.00 C ATOM 0 H THR A 4 -4.257 -14.966 2.362 1.00 0.00 H new ATOM 0 HA THR A 4 -5.053 -13.048 0.339 1.00 0.00 H new ATOM 0 HB THR A 4 -5.381 -13.064 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.405 -14.176 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.480 -11.832 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.052 -10.961 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.110 -11.838 1.173 1.00 0.00 H new ATOM 94 N PRO A 5 -3.612 -11.004 0.850 1.00 0.00 N ATOM 95 CA PRO A 5 -2.761 -9.858 1.120 1.00 0.00 C ATOM 96 C PRO A 5 -3.240 -9.123 2.375 1.00 0.00 C ATOM 97 O PRO A 5 -4.255 -8.428 2.348 1.00 0.00 O ATOM 98 CB PRO A 5 -2.838 -8.984 -0.137 1.00 0.00 C ATOM 99 CG PRO A 5 -4.216 -9.307 -0.706 1.00 0.00 C ATOM 100 CD PRO A 5 -4.392 -10.784 -0.358 1.00 0.00 C ATOM 0 HA PRO A 5 -1.728 -10.142 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.740 -7.925 0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.044 -9.226 -0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.994 -8.690 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.259 -9.138 -1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.442 -11.024 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.042 -11.421 -1.170 1.00 0.00 H new ATOM 108 N LYS A 6 -2.490 -9.268 3.474 1.00 0.00 N ATOM 109 CA LYS A 6 -2.691 -8.505 4.692 1.00 0.00 C ATOM 110 C LYS A 6 -2.096 -7.114 4.480 1.00 0.00 C ATOM 111 O LYS A 6 -0.887 -6.931 4.608 1.00 0.00 O ATOM 112 CB LYS A 6 -2.037 -9.226 5.879 1.00 0.00 C ATOM 113 CG LYS A 6 -2.515 -8.588 7.187 1.00 0.00 C ATOM 114 CD LYS A 6 -1.623 -8.959 8.378 1.00 0.00 C ATOM 115 CE LYS A 6 -1.661 -10.462 8.669 1.00 0.00 C ATOM 116 NZ LYS A 6 -0.911 -10.792 9.894 1.00 0.00 N ATOM 0 H LYS A 6 -1.717 -9.931 3.534 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.753 -8.411 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.295 -10.285 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.951 -9.161 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.533 -7.504 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.538 -8.905 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.597 -8.654 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.948 -8.409 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.696 -10.787 8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.240 -11.008 7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.956 -11.817 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.082 -10.503 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.329 -10.289 10.703 1.00 0.00 H new ATOM 130 N ILE A 7 -2.956 -6.152 4.136 1.00 0.00 N ATOM 131 CA ILE A 7 -2.601 -4.764 3.888 1.00 0.00 C ATOM 132 C ILE A 7 -2.601 -3.966 5.194 1.00 0.00 C ATOM 133 O ILE A 7 -3.521 -4.104 5.998 1.00 0.00 O ATOM 134 CB ILE A 7 -3.550 -4.134 2.847 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.003 -3.874 3.299 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.528 -4.926 1.534 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.835 -5.109 3.663 1.00 0.00 C ATOM 0 H ILE A 7 -3.953 -6.331 4.020 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.592 -4.735 3.478 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.138 -3.136 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.978 -3.212 4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.518 -3.338 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.205 -4.461 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.516 -4.929 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.847 -5.951 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.835 -4.798 3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.905 -5.768 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.357 -5.640 4.486 1.00 0.00 H new ATOM 149 N GLN A 8 -1.590 -3.112 5.396 1.00 0.00 N ATOM 150 CA GLN A 8 -1.573 -2.107 6.433 1.00 0.00 C ATOM 151 C GLN A 8 -1.006 -0.810 5.839 1.00 0.00 C ATOM 152 O GLN A 8 0.197 -0.701 5.598 1.00 0.00 O ATOM 153 CB GLN A 8 -0.804 -2.625 7.656 1.00 0.00 C ATOM 154 CG GLN A 8 0.464 -3.450 7.383 1.00 0.00 C ATOM 155 CD GLN A 8 0.195 -4.897 6.969 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.741 -5.531 7.453 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.020 -5.427 6.065 1.00 0.00 N ATOM 0 H GLN A 8 -0.747 -3.112 4.822 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.578 -1.886 6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.525 -1.768 8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.484 -3.235 8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.040 -2.961 6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.084 -3.450 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.786 -4.871 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.885 -6.389 5.753 1.00 0.00 H new ATOM 166 N VAL A 9 -1.897 0.158 5.578 1.00 0.00 N ATOM 167 CA VAL A 9 -1.584 1.459 4.998 1.00 0.00 C ATOM 168 C VAL A 9 -1.436 2.473 6.132 1.00 0.00 C ATOM 169 O VAL A 9 -2.411 3.116 6.519 1.00 0.00 O ATOM 170 CB VAL A 9 -2.675 1.874 3.992 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.289 3.181 3.287 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.894 0.791 2.925 1.00 0.00 C ATOM 0 H VAL A 9 -2.891 0.045 5.775 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.646 1.413 4.445 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.597 2.012 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.071 3.458 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.171 3.973 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.350 3.042 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.670 1.115 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.965 0.625 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.203 -0.137 3.406 1.00 0.00 H new ATOM 182 N TYR A 10 -0.217 2.599 6.670 1.00 0.00 N ATOM 183 CA TYR A 10 0.062 3.435 7.834 1.00 0.00 C ATOM 184 C TYR A 10 0.839 4.697 7.455 1.00 0.00 C ATOM 185 O TYR A 10 1.500 4.752 6.417 1.00 0.00 O ATOM 186 CB TYR A 10 0.781 2.619 8.916 1.00 0.00 C ATOM 187 CG TYR A 10 2.018 1.869 8.462 1.00 0.00 C ATOM 188 CD1 TYR A 10 3.266 2.515 8.406 1.00 0.00 C ATOM 189 CD2 TYR A 10 1.931 0.498 8.161 1.00 0.00 C ATOM 190 CE1 TYR A 10 4.413 1.796 8.031 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.082 -0.221 7.806 1.00 0.00 C ATOM 192 CZ TYR A 10 4.320 0.433 7.710 1.00 0.00 C ATOM 193 OH TYR A 10 5.432 -0.247 7.305 1.00 0.00 O ATOM 0 H TYR A 10 0.606 2.119 6.305 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.889 3.773 8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.064 3.293 9.725 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.075 1.900 9.332 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.343 3.564 8.651 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.975 -0.003 8.203 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.370 2.294 7.990 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.015 -1.280 7.606 1.00 0.00 H new ATOM 0 HH TYR A 10 5.196 -1.181 7.123 1.00 0.00 H new ATOM 203 N SER A 11 0.744 5.704 8.333 1.00 0.00 N ATOM 204 CA SER A 11 1.487 6.953 8.258 1.00 0.00 C ATOM 205 C SER A 11 2.784 6.832 9.069 1.00 0.00 C ATOM 206 O SER A 11 3.018 5.821 9.729 1.00 0.00 O ATOM 207 CB SER A 11 0.611 8.089 8.800 1.00 0.00 C ATOM 208 OG SER A 11 1.211 9.342 8.555 1.00 0.00 O ATOM 0 H SER A 11 0.123 5.662 9.141 1.00 0.00 H new ATOM 0 HA SER A 11 1.749 7.171 7.223 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.372 8.053 8.330 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.457 7.957 9.871 1.00 0.00 H new ATOM 0 HG SER A 11 1.411 9.781 9.408 1.00 0.00 H new ATOM 214 N ARG A 12 3.611 7.882 9.032 1.00 0.00 N ATOM 215 CA ARG A 12 4.855 8.004 9.785 1.00 0.00 C ATOM 216 C ARG A 12 4.754 9.209 10.719 1.00 0.00 C ATOM 217 O ARG A 12 4.746 9.054 11.938 1.00 0.00 O ATOM 218 CB ARG A 12 6.030 8.173 8.808 1.00 0.00 C ATOM 219 CG ARG A 12 6.887 6.913 8.647 1.00 0.00 C ATOM 220 CD ARG A 12 6.108 5.719 8.088 1.00 0.00 C ATOM 221 NE ARG A 12 7.015 4.627 7.713 1.00 0.00 N ATOM 222 CZ ARG A 12 7.525 3.695 8.534 1.00 0.00 C ATOM 223 NH1 ARG A 12 7.299 3.738 9.855 1.00 0.00 N ATOM 224 NH2 ARG A 12 8.254 2.700 8.013 1.00 0.00 N ATOM 0 H ARG A 12 3.421 8.700 8.453 1.00 0.00 H new ATOM 0 HA ARG A 12 5.025 7.107 10.380 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.640 8.463 7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.663 8.990 9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.725 7.134 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.308 6.642 9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.395 5.365 8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.531 6.032 7.218 1.00 0.00 H new ATOM 0 HE ARG A 12 7.285 4.571 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.732 4.487 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.694 3.021 10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.415 2.658 7.007 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.649 1.984 8.623 1.00 0.00 H new ATOM 238 N HIS A 13 4.707 10.407 10.129 1.00 0.00 N ATOM 239 CA HIS A 13 4.716 11.683 10.829 1.00 0.00 C ATOM 240 C HIS A 13 3.266 12.136 11.031 1.00 0.00 C ATOM 241 O HIS A 13 2.381 11.649 10.326 1.00 0.00 O ATOM 242 CB HIS A 13 5.530 12.678 9.986 1.00 0.00 C ATOM 243 CG HIS A 13 6.875 12.136 9.565 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.828 11.736 10.501 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.366 11.897 8.308 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.851 11.278 9.774 1.00 0.00 C ATOM 247 NE2 HIS A 13 8.625 11.355 8.453 1.00 0.00 N ATOM 0 H HIS A 13 4.660 10.512 9.116 1.00 0.00 H new ATOM 0 HA HIS A 13 5.180 11.611 11.813 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.958 12.945 9.097 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.677 13.594 10.558 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.860 12.097 7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.762 10.888 10.203 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.258 11.070 7.706 1.00 0.00 H new ATOM 255 N PRO A 14 2.978 13.047 11.976 1.00 0.00 N ATOM 256 CA PRO A 14 1.627 13.550 12.162 1.00 0.00 C ATOM 257 C PRO A 14 1.230 14.330 10.910 1.00 0.00 C ATOM 258 O PRO A 14 1.944 15.244 10.505 1.00 0.00 O ATOM 259 CB PRO A 14 1.671 14.428 13.415 1.00 0.00 C ATOM 260 CG PRO A 14 3.128 14.884 13.483 1.00 0.00 C ATOM 261 CD PRO A 14 3.904 13.711 12.879 1.00 0.00 C ATOM 0 HA PRO A 14 0.884 12.764 12.299 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.989 15.275 13.335 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.384 13.870 14.306 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.287 15.803 12.918 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.438 15.083 14.509 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.788 14.060 12.345 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.249 13.029 13.656 1.00 0.00 H new ATOM 269 N ALA A 15 0.123 13.928 10.273 1.00 0.00 N ATOM 270 CA ALA A 15 -0.318 14.479 9.001 1.00 0.00 C ATOM 271 C ALA A 15 -0.533 15.989 9.124 1.00 0.00 C ATOM 272 O ALA A 15 -1.297 16.439 9.977 1.00 0.00 O ATOM 273 CB ALA A 15 -1.579 13.746 8.540 1.00 0.00 C ATOM 0 H ALA A 15 -0.494 13.202 10.637 1.00 0.00 H new ATOM 0 HA ALA A 15 0.450 14.329 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.911 14.158 7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.360 12.685 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.366 13.873 9.284 1.00 0.00 H new ATOM 279 N GLU A 16 0.199 16.754 8.306 1.00 0.00 N ATOM 280 CA GLU A 16 0.454 18.174 8.498 1.00 0.00 C ATOM 281 C GLU A 16 0.297 18.924 7.169 1.00 0.00 C ATOM 282 O GLU A 16 0.843 18.510 6.148 1.00 0.00 O ATOM 283 CB GLU A 16 1.840 18.351 9.142 1.00 0.00 C ATOM 284 CG GLU A 16 2.965 17.586 8.421 1.00 0.00 C ATOM 285 CD GLU A 16 4.290 17.648 9.177 1.00 0.00 C ATOM 286 OE1 GLU A 16 4.635 18.754 9.646 1.00 0.00 O ATOM 287 OE2 GLU A 16 4.962 16.594 9.244 1.00 0.00 O ATOM 0 H GLU A 16 0.642 16.383 7.466 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.277 18.610 9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.089 19.412 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.793 18.017 10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.670 16.544 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.100 18.001 7.422 1.00 0.00 H new ATOM 294 N ASN A 17 -0.496 20.005 7.196 1.00 0.00 N ATOM 295 CA ASN A 17 -1.002 20.718 6.027 1.00 0.00 C ATOM 296 C ASN A 17 0.106 21.151 5.061 1.00 0.00 C ATOM 297 O ASN A 17 0.825 22.111 5.327 1.00 0.00 O ATOM 298 CB ASN A 17 -1.810 21.940 6.483 1.00 0.00 C ATOM 299 CG ASN A 17 -2.420 22.685 5.297 1.00 0.00 C ATOM 300 OD1 ASN A 17 -1.939 23.747 4.912 1.00 0.00 O ATOM 301 ND2 ASN A 17 -3.483 22.131 4.711 1.00 0.00 N ATOM 0 H ASN A 17 -0.812 20.419 8.073 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.639 20.025 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.603 21.621 7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.164 22.615 7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.924 22.591 3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.855 21.247 5.059 1.00 0.00 H new ATOM 308 N GLY A 18 0.196 20.468 3.915 1.00 0.00 N ATOM 309 CA GLY A 18 1.034 20.841 2.793 1.00 0.00 C ATOM 310 C GLY A 18 2.520 20.739 3.126 1.00 0.00 C ATOM 311 O GLY A 18 3.309 21.563 2.665 1.00 0.00 O ATOM 0 H GLY A 18 -0.334 19.613 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.809 20.197 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.800 21.862 2.490 1.00 0.00 H new ATOM 315 N LYS A 19 2.900 19.722 3.908 1.00 0.00 N ATOM 316 CA LYS A 19 4.283 19.404 4.224 1.00 0.00 C ATOM 317 C LYS A 19 4.399 17.891 4.314 1.00 0.00 C ATOM 318 O LYS A 19 3.566 17.219 4.920 1.00 0.00 O ATOM 319 CB LYS A 19 4.691 20.081 5.531 1.00 0.00 C ATOM 320 CG LYS A 19 6.148 19.912 6.002 1.00 0.00 C ATOM 321 CD LYS A 19 6.457 18.471 6.441 1.00 0.00 C ATOM 322 CE LYS A 19 7.432 18.352 7.613 1.00 0.00 C ATOM 323 NZ LYS A 19 7.503 16.951 8.069 1.00 0.00 N ATOM 0 H LYS A 19 2.233 19.087 4.345 1.00 0.00 H new ATOM 0 HA LYS A 19 4.957 19.773 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.493 21.148 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.038 19.707 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.823 20.196 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.340 20.591 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.522 17.981 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.866 17.927 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.421 18.695 7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.109 18.994 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.354 16.818 8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.659 16.726 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.547 16.319 7.244 1.00 0.00 H new ATOM 337 N SER A 20 5.438 17.385 3.657 1.00 0.00 N ATOM 338 CA SER A 20 5.633 15.968 3.415 1.00 0.00 C ATOM 339 C SER A 20 5.566 15.138 4.701 1.00 0.00 C ATOM 340 O SER A 20 6.306 15.365 5.659 1.00 0.00 O ATOM 341 CB SER A 20 6.962 15.726 2.700 1.00 0.00 C ATOM 342 OG SER A 20 8.026 16.432 3.305 1.00 0.00 O ATOM 0 H SER A 20 6.182 17.966 3.271 1.00 0.00 H new ATOM 0 HA SER A 20 4.813 15.640 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.186 14.659 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.873 16.029 1.657 1.00 0.00 H new ATOM 0 HG SER A 20 7.940 16.381 4.280 1.00 0.00 H new ATOM 348 N ASN A 21 4.678 14.150 4.667 1.00 0.00 N ATOM 349 CA ASN A 21 4.520 13.077 5.633 1.00 0.00 C ATOM 350 C ASN A 21 5.265 11.858 5.057 1.00 0.00 C ATOM 351 O ASN A 21 6.253 12.034 4.345 1.00 0.00 O ATOM 352 CB ASN A 21 3.007 12.877 5.840 1.00 0.00 C ATOM 353 CG ASN A 21 2.631 11.978 7.018 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.485 11.353 7.643 1.00 0.00 O ATOM 355 ND2 ASN A 21 1.333 11.883 7.305 1.00 0.00 N ATOM 0 H ASN A 21 4.002 14.076 3.907 1.00 0.00 H new ATOM 0 HA ASN A 21 4.944 13.275 6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.543 13.853 5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.583 12.454 4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.022 11.277 8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.651 12.416 6.766 1.00 0.00 H new ATOM 362 N PHE A 22 4.805 10.628 5.320 1.00 0.00 N ATOM 363 CA PHE A 22 5.315 9.426 4.680 1.00 0.00 C ATOM 364 C PHE A 22 4.232 8.352 4.669 1.00 0.00 C ATOM 365 O PHE A 22 3.808 7.879 5.723 1.00 0.00 O ATOM 366 CB PHE A 22 6.596 8.932 5.362 1.00 0.00 C ATOM 367 CG PHE A 22 7.801 8.921 4.451 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.955 7.890 3.507 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.742 9.964 4.512 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.057 7.892 2.637 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.855 9.955 3.656 1.00 0.00 C ATOM 372 CZ PHE A 22 10.009 8.924 2.713 1.00 0.00 C ATOM 0 H PHE A 22 4.060 10.446 5.992 1.00 0.00 H new ATOM 0 HA PHE A 22 5.579 9.661 3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.807 9.567 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.430 7.924 5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.225 7.096 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.609 10.771 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.173 7.102 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.593 10.741 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.859 8.925 2.047 1.00 0.00 H new ATOM 382 N LEU A 23 3.783 7.989 3.465 1.00 0.00 N ATOM 383 CA LEU A 23 2.777 6.969 3.221 1.00 0.00 C ATOM 384 C LEU A 23 3.510 5.658 3.040 1.00 0.00 C ATOM 385 O LEU A 23 4.410 5.579 2.207 1.00 0.00 O ATOM 386 CB LEU A 23 1.989 7.314 1.958 1.00 0.00 C ATOM 387 CG LEU A 23 0.931 6.291 1.532 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.073 5.982 2.646 1.00 0.00 C ATOM 389 CD2 LEU A 23 0.185 6.864 0.319 1.00 0.00 C ATOM 0 H LEU A 23 4.127 8.417 2.606 1.00 0.00 H new ATOM 0 HA LEU A 23 2.073 6.904 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.497 8.275 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.694 7.443 1.137 1.00 0.00 H new ATOM 0 HG LEU A 23 1.434 5.355 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.799 5.252 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.455 5.577 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.590 6.897 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.577 6.156 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.290 7.806 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.891 7.038 -0.493 1.00 0.00 H new ATOM 401 N ASN A 24 3.145 4.653 3.837 1.00 0.00 N ATOM 402 CA ASN A 24 3.707 3.319 3.754 1.00 0.00 C ATOM 403 C ASN A 24 2.557 2.335 3.591 1.00 0.00 C ATOM 404 O ASN A 24 1.959 1.910 4.580 1.00 0.00 O ATOM 405 CB ASN A 24 4.512 3.004 5.016 1.00 0.00 C ATOM 406 CG ASN A 24 5.956 3.503 4.990 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.872 2.754 5.321 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.187 4.767 4.631 1.00 0.00 N ATOM 0 H ASN A 24 2.439 4.752 4.567 1.00 0.00 H new ATOM 0 HA ASN A 24 4.384 3.245 2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.005 3.444 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.517 1.925 5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.140 5.130 4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.410 5.370 4.360 1.00 0.00 H new ATOM 415 N CYS A 25 2.282 1.950 2.339 1.00 0.00 N ATOM 416 CA CYS A 25 1.434 0.806 2.053 1.00 0.00 C ATOM 417 C CYS A 25 2.319 -0.424 2.177 1.00 0.00 C ATOM 418 O CYS A 25 3.123 -0.694 1.288 1.00 0.00 O ATOM 419 CB CYS A 25 0.797 0.869 0.658 1.00 0.00 C ATOM 420 SG CYS A 25 0.028 2.438 0.197 1.00 0.00 S ATOM 0 H CYS A 25 2.641 2.423 1.509 1.00 0.00 H new ATOM 0 HA CYS A 25 0.599 0.784 2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.565 0.635 -0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.042 0.086 0.591 1.00 0.00 H new ATOM 425 N TYR A 26 2.200 -1.148 3.289 1.00 0.00 N ATOM 426 CA TYR A 26 2.893 -2.407 3.488 1.00 0.00 C ATOM 427 C TYR A 26 1.870 -3.514 3.285 1.00 0.00 C ATOM 428 O TYR A 26 0.770 -3.417 3.821 1.00 0.00 O ATOM 429 CB TYR A 26 3.485 -2.422 4.898 1.00 0.00 C ATOM 430 CG TYR A 26 4.122 -3.725 5.348 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.814 -4.546 4.439 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.969 -4.148 6.681 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.247 -5.823 4.830 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.408 -5.423 7.076 1.00 0.00 C ATOM 435 CZ TYR A 26 5.050 -6.263 6.150 1.00 0.00 C ATOM 436 OH TYR A 26 5.478 -7.504 6.522 1.00 0.00 O ATOM 0 H TYR A 26 1.616 -0.871 4.078 1.00 0.00 H new ATOM 0 HA TYR A 26 3.715 -2.547 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.236 -1.634 4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.694 -2.166 5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.013 -4.193 3.438 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.512 -3.489 7.404 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.733 -6.469 4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.252 -5.757 8.091 1.00 0.00 H new ATOM 0 HH TYR A 26 6.212 -7.786 5.937 1.00 0.00 H new ATOM 446 N VAL A 27 2.214 -4.549 2.511 1.00 0.00 N ATOM 447 CA VAL A 27 1.338 -5.686 2.277 1.00 0.00 C ATOM 448 C VAL A 27 2.147 -6.935 2.573 1.00 0.00 C ATOM 449 O VAL A 27 3.315 -6.972 2.197 1.00 0.00 O ATOM 450 CB VAL A 27 0.859 -5.708 0.817 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.247 -6.753 0.645 1.00 0.00 C ATOM 452 CG2 VAL A 27 0.311 -4.352 0.390 1.00 0.00 C ATOM 0 H VAL A 27 3.112 -4.615 2.031 1.00 0.00 H new ATOM 0 HA VAL A 27 0.455 -5.626 2.914 1.00 0.00 H new ATOM 0 HB VAL A 27 1.719 -5.956 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.581 -6.762 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.138 -7.737 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.087 -6.504 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.019 -4.403 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.533 -4.084 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.092 -3.597 0.486 1.00 0.00 H new ATOM 462 N SER A 28 1.557 -7.953 3.214 1.00 0.00 N ATOM 463 CA SER A 28 2.287 -9.193 3.418 1.00 0.00 C ATOM 464 C SER A 28 1.366 -10.403 3.588 1.00 0.00 C ATOM 465 O SER A 28 0.159 -10.256 3.764 1.00 0.00 O ATOM 466 CB SER A 28 3.302 -9.019 4.574 1.00 0.00 C ATOM 467 OG SER A 28 3.241 -10.041 5.547 1.00 0.00 O ATOM 0 H SER A 28 0.607 -7.938 3.586 1.00 0.00 H new ATOM 0 HA SER A 28 2.853 -9.414 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.309 -8.986 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.125 -8.059 5.058 1.00 0.00 H new ATOM 0 HG SER A 28 3.908 -9.869 6.244 1.00 0.00 H new ATOM 473 N GLY A 29 1.950 -11.607 3.525 1.00 0.00 N ATOM 474 CA GLY A 29 1.270 -12.854 3.845 1.00 0.00 C ATOM 475 C GLY A 29 0.532 -13.466 2.656 1.00 0.00 C ATOM 476 O GLY A 29 -0.119 -14.497 2.820 1.00 0.00 O ATOM 0 H GLY A 29 2.922 -11.736 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.000 -13.572 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.559 -12.675 4.651 1.00 0.00 H new ATOM 480 N PHE A 30 0.638 -12.852 1.470 1.00 0.00 N ATOM 481 CA PHE A 30 0.104 -13.383 0.227 1.00 0.00 C ATOM 482 C PHE A 30 1.153 -14.261 -0.473 1.00 0.00 C ATOM 483 O PHE A 30 2.317 -14.252 -0.081 1.00 0.00 O ATOM 484 CB PHE A 30 -0.402 -12.225 -0.642 1.00 0.00 C ATOM 485 CG PHE A 30 0.640 -11.218 -1.088 1.00 0.00 C ATOM 486 CD1 PHE A 30 0.919 -10.072 -0.315 1.00 0.00 C ATOM 487 CD2 PHE A 30 1.271 -11.383 -2.333 1.00 0.00 C ATOM 488 CE1 PHE A 30 1.851 -9.127 -0.774 1.00 0.00 C ATOM 489 CE2 PHE A 30 2.148 -10.408 -2.821 1.00 0.00 C ATOM 490 CZ PHE A 30 2.430 -9.280 -2.043 1.00 0.00 C ATOM 0 H PHE A 30 1.109 -11.954 1.355 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.748 -14.033 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.875 -12.644 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.177 -11.694 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.416 -9.921 0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.077 -12.270 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.121 -8.286 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.605 -10.526 -3.793 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.098 -8.521 -2.422 1.00 0.00 H new ATOM 500 N HIS A 31 0.751 -15.015 -1.506 1.00 0.00 N ATOM 501 CA HIS A 31 1.661 -15.645 -2.468 1.00 0.00 C ATOM 502 C HIS A 31 0.963 -15.574 -3.835 1.00 0.00 C ATOM 503 O HIS A 31 -0.267 -15.597 -3.868 1.00 0.00 O ATOM 504 CB HIS A 31 1.973 -17.095 -2.044 1.00 0.00 C ATOM 505 CG HIS A 31 1.045 -18.145 -2.607 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.028 -18.733 -1.859 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.022 -18.676 -3.869 1.00 0.00 C ATOM 508 CE1 HIS A 31 -0.579 -19.576 -2.700 1.00 0.00 C ATOM 509 NE2 HIS A 31 -0.021 -19.578 -3.921 1.00 0.00 N ATOM 0 H HIS A 31 -0.232 -15.206 -1.698 1.00 0.00 H new ATOM 0 HA HIS A 31 2.622 -15.134 -2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.992 -17.334 -2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.943 -17.153 -0.956 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.697 -18.433 -4.676 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.426 -20.188 -2.427 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.310 -20.134 -4.726 1.00 0.00 H new ATOM 517 N PRO A 32 1.679 -15.511 -4.970 1.00 0.00 N ATOM 518 CA PRO A 32 3.125 -15.504 -5.114 1.00 0.00 C ATOM 519 C PRO A 32 3.622 -14.049 -5.078 1.00 0.00 C ATOM 520 O PRO A 32 3.386 -13.344 -4.098 1.00 0.00 O ATOM 521 CB PRO A 32 3.349 -16.220 -6.454 1.00 0.00 C ATOM 522 CG PRO A 32 2.181 -15.709 -7.301 1.00 0.00 C ATOM 523 CD PRO A 32 1.047 -15.607 -6.278 1.00 0.00 C ATOM 0 HA PRO A 32 3.681 -16.006 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.313 -15.964 -6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.327 -17.304 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.403 -14.745 -7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.936 -16.396 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.425 -14.733 -6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.396 -16.480 -6.332 1.00 0.00 H new ATOM 531 N SER A 33 4.298 -13.591 -6.138 1.00 0.00 N ATOM 532 CA SER A 33 4.952 -12.296 -6.219 1.00 0.00 C ATOM 533 C SER A 33 4.083 -11.243 -6.939 1.00 0.00 C ATOM 534 O SER A 33 4.557 -10.134 -7.177 1.00 0.00 O ATOM 535 CB SER A 33 6.281 -12.517 -6.950 1.00 0.00 C ATOM 536 OG SER A 33 6.068 -12.799 -8.317 1.00 0.00 O ATOM 0 H SER A 33 4.404 -14.139 -6.991 1.00 0.00 H new ATOM 0 HA SER A 33 5.117 -11.898 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.906 -11.629 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.823 -13.341 -6.485 1.00 0.00 H new ATOM 0 HG SER A 33 6.931 -12.934 -8.761 1.00 0.00 H new ATOM 542 N ASP A 34 2.855 -11.605 -7.348 1.00 0.00 N ATOM 543 CA ASP A 34 2.132 -10.965 -8.446 1.00 0.00 C ATOM 544 C ASP A 34 0.960 -10.101 -7.957 1.00 0.00 C ATOM 545 O ASP A 34 -0.165 -10.584 -7.825 1.00 0.00 O ATOM 546 CB ASP A 34 1.683 -12.076 -9.412 1.00 0.00 C ATOM 547 CG ASP A 34 0.952 -11.566 -10.653 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.121 -10.372 -10.981 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.246 -12.396 -11.265 1.00 0.00 O ATOM 0 H ASP A 34 2.333 -12.365 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 34 2.788 -10.265 -8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.558 -12.644 -9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.030 -12.766 -8.877 1.00 0.00 H new ATOM 554 N ILE A 35 1.242 -8.816 -7.694 1.00 0.00 N ATOM 555 CA ILE A 35 0.283 -7.839 -7.178 1.00 0.00 C ATOM 556 C ILE A 35 0.535 -6.439 -7.755 1.00 0.00 C ATOM 557 O ILE A 35 1.633 -6.149 -8.229 1.00 0.00 O ATOM 558 CB ILE A 35 0.339 -7.867 -5.637 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.609 -6.895 -4.921 1.00 0.00 C ATOM 560 CG2 ILE A 35 1.764 -7.667 -5.143 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.653 -7.168 -3.412 1.00 0.00 C ATOM 0 H ILE A 35 2.171 -8.421 -7.840 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.725 -8.105 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.020 -8.862 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.283 -5.870 -5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.612 -6.988 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.778 -7.691 -4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.399 -8.463 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.137 -6.704 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.333 -6.463 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.003 -8.185 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.346 -7.050 -2.992 1.00 0.00 H new ATOM 573 N GLU A 36 -0.487 -5.576 -7.687 1.00 0.00 N ATOM 574 CA GLU A 36 -0.447 -4.170 -8.073 1.00 0.00 C ATOM 575 C GLU A 36 -0.745 -3.293 -6.858 1.00 0.00 C ATOM 576 O GLU A 36 -1.804 -3.456 -6.247 1.00 0.00 O ATOM 577 CB GLU A 36 -1.494 -3.875 -9.148 1.00 0.00 C ATOM 578 CG GLU A 36 -1.524 -4.950 -10.230 1.00 0.00 C ATOM 579 CD GLU A 36 -2.358 -4.495 -11.425 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.601 -4.475 -11.279 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.738 -4.150 -12.455 1.00 0.00 O ATOM 0 H GLU A 36 -1.405 -5.858 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 36 0.547 -3.954 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.478 -3.800 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.282 -2.908 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.508 -5.174 -10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.939 -5.872 -9.822 1.00 0.00 H new ATOM 588 N VAL A 37 0.161 -2.363 -6.520 1.00 0.00 N ATOM 589 CA VAL A 37 -0.038 -1.395 -5.444 1.00 0.00 C ATOM 590 C VAL A 37 0.499 -0.040 -5.898 1.00 0.00 C ATOM 591 O VAL A 37 1.512 0.445 -5.397 1.00 0.00 O ATOM 592 CB VAL A 37 0.573 -1.892 -4.115 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.270 -1.000 -2.902 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.058 -3.297 -3.789 1.00 0.00 C ATOM 0 H VAL A 37 1.059 -2.265 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.101 -1.279 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 37 1.650 -1.875 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.737 -1.424 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.666 0.000 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.808 -0.943 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.496 -3.636 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.028 -3.274 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.339 -3.982 -4.589 1.00 0.00 H new ATOM 604 N ASP A 38 -0.218 0.579 -6.843 1.00 0.00 N ATOM 605 CA ASP A 38 -0.042 1.983 -7.177 1.00 0.00 C ATOM 606 C ASP A 38 -0.605 2.821 -6.033 1.00 0.00 C ATOM 607 O ASP A 38 -1.519 2.392 -5.328 1.00 0.00 O ATOM 608 CB ASP A 38 -0.742 2.339 -8.496 1.00 0.00 C ATOM 609 CG ASP A 38 -0.184 1.542 -9.674 1.00 0.00 C ATOM 610 OD1 ASP A 38 -0.528 0.343 -9.770 1.00 0.00 O ATOM 611 OD2 ASP A 38 0.567 2.153 -10.465 1.00 0.00 O ATOM 0 H ASP A 38 -0.937 0.112 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 38 1.020 2.190 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.811 2.147 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.626 3.405 -8.692 1.00 0.00 H new ATOM 616 N LEU A 39 -0.043 4.017 -5.849 1.00 0.00 N ATOM 617 CA LEU A 39 -0.402 4.929 -4.781 1.00 0.00 C ATOM 618 C LEU A 39 -1.083 6.132 -5.437 1.00 0.00 C ATOM 619 O LEU A 39 -0.616 6.602 -6.476 1.00 0.00 O ATOM 620 CB LEU A 39 0.859 5.284 -3.984 1.00 0.00 C ATOM 621 CG LEU A 39 1.537 4.051 -3.354 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.662 3.482 -4.227 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.129 4.408 -1.989 1.00 0.00 C ATOM 0 H LEU A 39 0.691 4.379 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.098 4.496 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.569 5.787 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.598 5.991 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 39 0.759 3.294 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.103 2.616 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.256 3.182 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.428 4.243 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.604 3.527 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.870 5.198 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.335 4.753 -1.327 1.00 0.00 H new ATOM 635 N LEU A 40 -2.226 6.568 -4.889 1.00 0.00 N ATOM 636 CA LEU A 40 -3.249 7.255 -5.670 1.00 0.00 C ATOM 637 C LEU A 40 -3.932 8.324 -4.812 1.00 0.00 C ATOM 638 O LEU A 40 -4.505 7.985 -3.783 1.00 0.00 O ATOM 639 CB LEU A 40 -4.245 6.179 -6.150 1.00 0.00 C ATOM 640 CG LEU A 40 -4.912 6.404 -7.516 1.00 0.00 C ATOM 641 CD1 LEU A 40 -5.775 7.667 -7.548 1.00 0.00 C ATOM 642 CD2 LEU A 40 -3.895 6.398 -8.663 1.00 0.00 C ATOM 0 H LEU A 40 -2.460 6.453 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.821 7.771 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.722 5.223 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.031 6.087 -5.401 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.581 5.557 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.222 7.777 -8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.564 7.588 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.155 8.537 -7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.412 6.561 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.166 7.193 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.383 5.436 -8.690 1.00 0.00 H new ATOM 654 N LYS A 41 -3.895 9.601 -5.221 1.00 0.00 N ATOM 655 CA LYS A 41 -4.639 10.668 -4.558 1.00 0.00 C ATOM 656 C LYS A 41 -6.133 10.589 -4.916 1.00 0.00 C ATOM 657 O LYS A 41 -6.702 9.502 -4.995 1.00 0.00 O ATOM 658 CB LYS A 41 -4.008 12.042 -4.843 1.00 0.00 C ATOM 659 CG LYS A 41 -2.565 12.138 -4.347 1.00 0.00 C ATOM 660 CD LYS A 41 -1.490 11.992 -5.422 1.00 0.00 C ATOM 661 CE LYS A 41 -1.470 13.104 -6.475 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.043 14.407 -5.942 1.00 0.00 N ATOM 0 H LYS A 41 -3.347 9.917 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.575 10.531 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.034 12.234 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.605 12.819 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.432 13.101 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.406 11.368 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.515 11.955 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.631 11.037 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.801 12.815 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.467 13.205 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.035 15.110 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.704 14.712 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.087 14.322 -5.541 1.00 0.00 H new ATOM 676 N ASN A 42 -6.768 11.742 -5.145 1.00 0.00 N ATOM 677 CA ASN A 42 -8.140 11.853 -5.624 1.00 0.00 C ATOM 678 C ASN A 42 -8.342 11.134 -6.968 1.00 0.00 C ATOM 679 O ASN A 42 -9.323 10.413 -7.139 1.00 0.00 O ATOM 680 CB ASN A 42 -8.545 13.336 -5.698 1.00 0.00 C ATOM 681 CG ASN A 42 -7.931 14.064 -6.899 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.643 14.414 -7.836 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.608 14.268 -6.902 1.00 0.00 N ATOM 0 H ASN A 42 -6.324 12.648 -4.996 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.795 11.350 -4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.631 13.408 -5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.238 13.837 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.164 14.726 -7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.044 13.966 -6.108 1.00 0.00 H new ATOM 690 N GLY A 43 -7.418 11.325 -7.917 1.00 0.00 N ATOM 691 CA GLY A 43 -7.486 10.740 -9.249 1.00 0.00 C ATOM 692 C GLY A 43 -6.217 11.053 -10.041 1.00 0.00 C ATOM 693 O GLY A 43 -6.281 11.354 -11.232 1.00 0.00 O ATOM 0 H GLY A 43 -6.589 11.902 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.615 9.660 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.356 11.128 -9.778 1.00 0.00 H new ATOM 697 N GLU A 44 -5.068 10.988 -9.361 1.00 0.00 N ATOM 698 CA GLU A 44 -3.742 11.293 -9.872 1.00 0.00 C ATOM 699 C GLU A 44 -2.759 10.474 -9.031 1.00 0.00 C ATOM 700 O GLU A 44 -3.004 10.281 -7.842 1.00 0.00 O ATOM 701 CB GLU A 44 -3.525 12.807 -9.733 1.00 0.00 C ATOM 702 CG GLU A 44 -2.131 13.288 -10.152 1.00 0.00 C ATOM 703 CD GLU A 44 -1.949 14.771 -9.833 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.507 15.064 -8.699 1.00 0.00 O ATOM 705 OE2 GLU A 44 -2.273 15.588 -10.721 1.00 0.00 O ATOM 0 H GLU A 44 -5.045 10.703 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.605 11.037 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.271 13.325 -10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.698 13.093 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.370 12.704 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.990 13.121 -11.220 1.00 0.00 H new ATOM 712 N ARG A 45 -1.678 9.960 -9.630 1.00 0.00 N ATOM 713 CA ARG A 45 -0.730 9.096 -8.931 1.00 0.00 C ATOM 714 C ARG A 45 0.244 9.911 -8.083 1.00 0.00 C ATOM 715 O ARG A 45 0.498 11.077 -8.377 1.00 0.00 O ATOM 716 CB ARG A 45 0.077 8.256 -9.927 1.00 0.00 C ATOM 717 CG ARG A 45 -0.799 7.383 -10.831 1.00 0.00 C ATOM 718 CD ARG A 45 0.037 6.349 -11.598 1.00 0.00 C ATOM 719 NE ARG A 45 1.042 6.978 -12.471 1.00 0.00 N ATOM 720 CZ ARG A 45 2.338 7.195 -12.177 1.00 0.00 C ATOM 721 NH1 ARG A 45 2.853 6.866 -10.982 1.00 0.00 N ATOM 722 NH2 ARG A 45 3.133 7.757 -13.097 1.00 0.00 N ATOM 0 H ARG A 45 -1.440 10.132 -10.607 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.313 8.443 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.679 8.920 -10.547 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.769 7.618 -9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.549 6.871 -10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.336 8.015 -11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.537 5.691 -10.888 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.624 5.725 -12.200 1.00 0.00 H new ATOM 0 HE ARG A 45 0.724 7.280 -13.392 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.259 6.441 -10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.838 7.041 -10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.755 8.016 -14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.116 7.926 -12.886 1.00 0.00 H new ATOM 736 N ILE A 46 0.857 9.267 -7.082 1.00 0.00 N ATOM 737 CA ILE A 46 2.050 9.748 -6.432 1.00 0.00 C ATOM 738 C ILE A 46 3.141 9.932 -7.493 1.00 0.00 C ATOM 739 O ILE A 46 3.246 9.141 -8.432 1.00 0.00 O ATOM 740 CB ILE A 46 2.457 8.685 -5.409 1.00 0.00 C ATOM 741 CG1 ILE A 46 1.441 8.467 -4.275 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.817 9.003 -4.814 1.00 0.00 C ATOM 743 CD1 ILE A 46 1.025 9.688 -3.462 1.00 0.00 C ATOM 0 H ILE A 46 0.519 8.381 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 46 1.892 10.704 -5.932 1.00 0.00 H new ATOM 0 HB ILE A 46 2.495 7.753 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.542 8.028 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.856 7.730 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.086 8.234 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.564 9.031 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.779 9.972 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.307 9.389 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.903 10.123 -2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.568 10.426 -4.121 1.00 0.00 H new ATOM 755 N GLU A 47 3.957 10.973 -7.318 1.00 0.00 N ATOM 756 CA GLU A 47 5.080 11.281 -8.193 1.00 0.00 C ATOM 757 C GLU A 47 6.204 10.256 -8.002 1.00 0.00 C ATOM 758 O GLU A 47 6.404 9.398 -8.860 1.00 0.00 O ATOM 759 CB GLU A 47 5.576 12.712 -7.934 1.00 0.00 C ATOM 760 CG GLU A 47 4.565 13.776 -8.372 1.00 0.00 C ATOM 761 CD GLU A 47 5.073 15.174 -8.028 1.00 0.00 C ATOM 762 OE1 GLU A 47 6.142 15.538 -8.565 1.00 0.00 O ATOM 763 OE2 GLU A 47 4.392 15.847 -7.224 1.00 0.00 O ATOM 0 H GLU A 47 3.851 11.635 -6.549 1.00 0.00 H new ATOM 0 HA GLU A 47 4.749 11.221 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.787 12.832 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.515 12.868 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.391 13.700 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.608 13.600 -7.881 1.00 0.00 H new ATOM 770 N LYS A 48 6.954 10.367 -6.897 1.00 0.00 N ATOM 771 CA LYS A 48 8.145 9.571 -6.622 1.00 0.00 C ATOM 772 C LYS A 48 7.793 8.461 -5.626 1.00 0.00 C ATOM 773 O LYS A 48 7.683 8.712 -4.426 1.00 0.00 O ATOM 774 CB LYS A 48 9.272 10.477 -6.090 1.00 0.00 C ATOM 775 CG LYS A 48 10.142 11.127 -7.181 1.00 0.00 C ATOM 776 CD LYS A 48 9.364 12.049 -8.132 1.00 0.00 C ATOM 777 CE LYS A 48 10.285 12.793 -9.110 1.00 0.00 C ATOM 778 NZ LYS A 48 11.133 13.797 -8.441 1.00 0.00 N ATOM 0 H LYS A 48 6.738 11.032 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 48 8.503 9.105 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.830 11.264 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.914 9.889 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.937 11.701 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.622 10.342 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.641 11.459 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.797 12.774 -7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.920 12.072 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.679 13.284 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.621 14.372 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.540 14.412 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.837 13.316 -7.846 1.00 0.00 H new ATOM 792 N VAL A 49 7.634 7.234 -6.138 1.00 0.00 N ATOM 793 CA VAL A 49 7.423 6.018 -5.360 1.00 0.00 C ATOM 794 C VAL A 49 8.766 5.301 -5.198 1.00 0.00 C ATOM 795 O VAL A 49 9.534 5.231 -6.157 1.00 0.00 O ATOM 796 CB VAL A 49 6.417 5.107 -6.093 1.00 0.00 C ATOM 797 CG1 VAL A 49 6.177 3.800 -5.321 1.00 0.00 C ATOM 798 CG2 VAL A 49 5.076 5.819 -6.317 1.00 0.00 C ATOM 0 H VAL A 49 7.650 7.060 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 49 7.021 6.263 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 49 6.857 4.869 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.463 3.182 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.119 3.261 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.779 4.029 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.390 5.149 -6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.649 6.101 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.235 6.713 -6.920 1.00 0.00 H new ATOM 808 N GLU A 50 9.028 4.739 -4.009 1.00 0.00 N ATOM 809 CA GLU A 50 10.116 3.799 -3.774 1.00 0.00 C ATOM 810 C GLU A 50 9.509 2.482 -3.279 1.00 0.00 C ATOM 811 O GLU A 50 8.347 2.454 -2.870 1.00 0.00 O ATOM 812 CB GLU A 50 11.103 4.415 -2.774 1.00 0.00 C ATOM 813 CG GLU A 50 12.491 3.783 -2.865 1.00 0.00 C ATOM 814 CD GLU A 50 13.451 4.446 -1.885 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.369 4.097 -0.688 1.00 0.00 O ATOM 816 OE2 GLU A 50 14.241 5.298 -2.347 1.00 0.00 O ATOM 0 H GLU A 50 8.476 4.933 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 50 10.676 3.589 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.181 5.487 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.716 4.292 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.425 2.716 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.875 3.881 -3.880 1.00 0.00 H new ATOM 823 N HIS A 51 10.280 1.389 -3.321 1.00 0.00 N ATOM 824 CA HIS A 51 9.846 0.091 -2.825 1.00 0.00 C ATOM 825 C HIS A 51 10.944 -0.567 -1.994 1.00 0.00 C ATOM 826 O HIS A 51 12.129 -0.305 -2.197 1.00 0.00 O ATOM 827 CB HIS A 51 9.422 -0.813 -3.990 1.00 0.00 C ATOM 828 CG HIS A 51 10.575 -1.411 -4.763 1.00 0.00 C ATOM 829 ND1 HIS A 51 11.066 -2.682 -4.464 1.00 0.00 N ATOM 830 CD2 HIS A 51 11.305 -0.890 -5.799 1.00 0.00 C ATOM 831 CE1 HIS A 51 12.078 -2.872 -5.315 1.00 0.00 C ATOM 832 NE2 HIS A 51 12.255 -1.832 -6.144 1.00 0.00 N ATOM 0 H HIS A 51 11.226 1.387 -3.703 1.00 0.00 H new ATOM 0 HA HIS A 51 8.982 0.241 -2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.802 -1.621 -3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.801 -0.236 -4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.164 0.077 -6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.686 -3.764 -5.334 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.953 -1.752 -6.883 1.00 0.00 H new ATOM 840 N SER A 52 10.528 -1.464 -1.096 1.00 0.00 N ATOM 841 CA SER A 52 11.393 -2.465 -0.500 1.00 0.00 C ATOM 842 C SER A 52 11.423 -3.661 -1.444 1.00 0.00 C ATOM 843 O SER A 52 10.365 -4.129 -1.868 1.00 0.00 O ATOM 844 CB SER A 52 10.846 -2.885 0.869 1.00 0.00 C ATOM 845 OG SER A 52 11.583 -3.968 1.399 1.00 0.00 O ATOM 0 H SER A 52 9.565 -1.509 -0.763 1.00 0.00 H new ATOM 0 HA SER A 52 12.397 -2.068 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.889 -2.040 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.797 -3.166 0.775 1.00 0.00 H new ATOM 0 HG SER A 52 11.216 -4.217 2.273 1.00 0.00 H new ATOM 851 N ASP A 53 12.625 -4.179 -1.725 1.00 0.00 N ATOM 852 CA ASP A 53 12.812 -5.429 -2.449 1.00 0.00 C ATOM 853 C ASP A 53 11.995 -6.545 -1.805 1.00 0.00 C ATOM 854 O ASP A 53 11.693 -6.492 -0.610 1.00 0.00 O ATOM 855 CB ASP A 53 14.297 -5.811 -2.467 1.00 0.00 C ATOM 856 CG ASP A 53 15.100 -4.893 -3.381 1.00 0.00 C ATOM 857 OD1 ASP A 53 15.185 -5.224 -4.584 1.00 0.00 O ATOM 858 OD2 ASP A 53 15.604 -3.875 -2.861 1.00 0.00 O ATOM 0 H ASP A 53 13.500 -3.733 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 53 12.468 -5.291 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.699 -5.760 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.404 -6.843 -2.801 1.00 0.00 H new ATOM 863 N LEU A 54 11.637 -7.546 -2.617 1.00 0.00 N ATOM 864 CA LEU A 54 10.831 -8.671 -2.184 1.00 0.00 C ATOM 865 C LEU A 54 11.515 -9.333 -0.991 1.00 0.00 C ATOM 866 O LEU A 54 12.606 -9.885 -1.116 1.00 0.00 O ATOM 867 CB LEU A 54 10.620 -9.652 -3.347 1.00 0.00 C ATOM 868 CG LEU A 54 9.486 -10.672 -3.133 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.546 -11.441 -1.813 1.00 0.00 C ATOM 870 CD2 LEU A 54 8.103 -10.031 -3.299 1.00 0.00 C ATOM 0 H LEU A 54 11.906 -7.590 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 54 9.843 -8.333 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.411 -9.081 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.550 -10.194 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 54 9.647 -11.409 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.706 -12.133 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.481 -11.999 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.494 -10.739 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.331 -10.784 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.984 -9.230 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.010 -9.623 -4.305 1.00 0.00 H new ATOM 882 N SER A 55 10.852 -9.254 0.163 1.00 0.00 N ATOM 883 CA SER A 55 11.294 -9.828 1.415 1.00 0.00 C ATOM 884 C SER A 55 10.287 -10.908 1.771 1.00 0.00 C ATOM 885 O SER A 55 9.340 -10.645 2.500 1.00 0.00 O ATOM 886 CB SER A 55 11.357 -8.734 2.488 1.00 0.00 C ATOM 887 OG SER A 55 11.792 -9.282 3.716 1.00 0.00 O ATOM 0 H SER A 55 9.959 -8.768 0.245 1.00 0.00 H new ATOM 0 HA SER A 55 12.293 -10.258 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.038 -7.943 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.375 -8.278 2.612 1.00 0.00 H new ATOM 0 HG SER A 55 11.830 -8.576 4.394 1.00 0.00 H new ATOM 893 N PHE A 56 10.476 -12.133 1.272 1.00 0.00 N ATOM 894 CA PHE A 56 9.525 -13.208 1.524 1.00 0.00 C ATOM 895 C PHE A 56 9.671 -13.799 2.937 1.00 0.00 C ATOM 896 O PHE A 56 9.135 -14.871 3.211 1.00 0.00 O ATOM 897 CB PHE A 56 9.644 -14.260 0.405 1.00 0.00 C ATOM 898 CG PHE A 56 10.765 -15.259 0.549 1.00 0.00 C ATOM 899 CD1 PHE A 56 12.066 -14.922 0.140 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.495 -16.543 1.054 1.00 0.00 C ATOM 901 CE1 PHE A 56 13.128 -15.806 0.410 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.556 -17.422 1.339 1.00 0.00 C ATOM 903 CZ PHE A 56 12.874 -17.045 1.028 1.00 0.00 C ATOM 0 H PHE A 56 11.274 -12.399 0.696 1.00 0.00 H new ATOM 0 HA PHE A 56 8.513 -12.804 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.703 -14.807 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.769 -13.739 -0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 56 12.250 -13.992 -0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.475 -16.854 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.138 -15.533 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.359 -18.381 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.694 -17.708 1.264 1.00 0.00 H new ATOM 913 N SER A 57 10.417 -13.115 3.821 1.00 0.00 N ATOM 914 CA SER A 57 10.974 -13.666 5.043 1.00 0.00 C ATOM 915 C SER A 57 11.732 -14.952 4.685 1.00 0.00 C ATOM 916 O SER A 57 12.267 -15.065 3.583 1.00 0.00 O ATOM 917 CB SER A 57 9.879 -13.863 6.098 1.00 0.00 C ATOM 918 OG SER A 57 10.450 -14.157 7.356 1.00 0.00 O ATOM 0 H SER A 57 10.650 -12.131 3.689 1.00 0.00 H new ATOM 0 HA SER A 57 11.685 -12.976 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.270 -12.962 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.216 -14.673 5.795 1.00 0.00 H new ATOM 0 HG SER A 57 9.738 -14.278 8.018 1.00 0.00 H new ATOM 924 N LYS A 58 11.748 -15.928 5.595 1.00 0.00 N ATOM 925 CA LYS A 58 12.166 -17.293 5.313 1.00 0.00 C ATOM 926 C LYS A 58 10.966 -18.241 5.279 1.00 0.00 C ATOM 927 O LYS A 58 11.026 -19.287 4.633 1.00 0.00 O ATOM 928 CB LYS A 58 13.193 -17.735 6.365 1.00 0.00 C ATOM 929 CG LYS A 58 14.089 -18.847 5.799 1.00 0.00 C ATOM 930 CD LYS A 58 15.121 -19.290 6.846 1.00 0.00 C ATOM 931 CE LYS A 58 15.936 -20.506 6.386 1.00 0.00 C ATOM 932 NZ LYS A 58 16.715 -20.235 5.165 1.00 0.00 N ATOM 0 H LYS A 58 11.465 -15.784 6.564 1.00 0.00 H new ATOM 0 HA LYS A 58 12.629 -17.328 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.804 -16.884 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.679 -18.091 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.477 -19.698 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.600 -18.491 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.797 -18.462 7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.609 -19.531 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.613 -20.809 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.262 -21.343 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.273 -21.076 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.068 -20.005 4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.355 -19.432 5.332 1.00 0.00 H new ATOM 946 N ASP A 59 9.905 -17.903 6.023 1.00 0.00 N ATOM 947 CA ASP A 59 8.918 -18.856 6.507 1.00 0.00 C ATOM 948 C ASP A 59 7.789 -19.135 5.509 1.00 0.00 C ATOM 949 O ASP A 59 6.619 -19.169 5.890 1.00 0.00 O ATOM 950 CB ASP A 59 8.371 -18.364 7.861 1.00 0.00 C ATOM 951 CG ASP A 59 7.449 -17.145 7.757 1.00 0.00 C ATOM 952 OD1 ASP A 59 7.765 -16.248 6.948 1.00 0.00 O ATOM 953 OD2 ASP A 59 6.438 -17.132 8.492 1.00 0.00 O ATOM 0 H ASP A 59 9.712 -16.942 6.306 1.00 0.00 H new ATOM 0 HA ASP A 59 9.419 -19.816 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.826 -19.179 8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.210 -18.117 8.512 1.00 0.00 H new ATOM 958 N TRP A 60 8.128 -19.356 4.235 1.00 0.00 N ATOM 959 CA TRP A 60 7.175 -19.609 3.155 1.00 0.00 C ATOM 960 C TRP A 60 6.243 -18.416 2.882 1.00 0.00 C ATOM 961 O TRP A 60 5.286 -18.563 2.124 1.00 0.00 O ATOM 962 CB TRP A 60 6.365 -20.895 3.398 1.00 0.00 C ATOM 963 CG TRP A 60 7.150 -22.140 3.680 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.604 -22.522 4.893 1.00 0.00 C ATOM 965 CD2 TRP A 60 7.556 -23.194 2.755 1.00 0.00 C ATOM 966 NE1 TRP A 60 8.256 -23.733 4.795 1.00 0.00 N ATOM 967 CE2 TRP A 60 8.249 -24.198 3.495 1.00 0.00 C ATOM 968 CE3 TRP A 60 7.408 -23.407 1.367 1.00 0.00 C ATOM 969 CZ2 TRP A 60 8.761 -25.356 2.889 1.00 0.00 C ATOM 970 CZ3 TRP A 60 7.912 -24.569 0.751 1.00 0.00 C ATOM 971 CH2 TRP A 60 8.586 -25.543 1.509 1.00 0.00 C ATOM 0 H TRP A 60 9.098 -19.364 3.921 1.00 0.00 H new ATOM 0 HA TRP A 60 7.776 -19.750 2.256 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.691 -20.720 4.237 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.742 -21.076 2.522 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.475 -21.961 5.807 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.687 -24.221 5.580 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.900 -22.666 0.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.284 -26.095 3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 7.780 -24.713 -0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 60 8.968 -26.433 1.030 1.00 0.00 H new ATOM 982 N SER A 61 6.503 -17.241 3.474 1.00 0.00 N ATOM 983 CA SER A 61 5.701 -16.043 3.257 1.00 0.00 C ATOM 984 C SER A 61 6.090 -15.405 1.914 1.00 0.00 C ATOM 985 O SER A 61 6.882 -15.984 1.175 1.00 0.00 O ATOM 986 CB SER A 61 5.879 -15.114 4.466 1.00 0.00 C ATOM 987 OG SER A 61 5.004 -14.009 4.375 1.00 0.00 O ATOM 0 H SER A 61 7.281 -17.102 4.119 1.00 0.00 H new ATOM 0 HA SER A 61 4.638 -16.273 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.684 -15.664 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.911 -14.765 4.515 1.00 0.00 H new ATOM 0 HG SER A 61 5.129 -13.428 5.154 1.00 0.00 H new ATOM 993 N PHE A 62 5.518 -14.241 1.574 1.00 0.00 N ATOM 994 CA PHE A 62 5.841 -13.488 0.363 1.00 0.00 C ATOM 995 C PHE A 62 5.316 -12.065 0.529 1.00 0.00 C ATOM 996 O PHE A 62 4.129 -11.914 0.821 1.00 0.00 O ATOM 997 CB PHE A 62 5.215 -14.144 -0.879 1.00 0.00 C ATOM 998 CG PHE A 62 6.192 -14.265 -2.020 1.00 0.00 C ATOM 999 CD1 PHE A 62 7.091 -15.344 -2.048 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.332 -13.215 -2.943 1.00 0.00 C ATOM 1001 CE1 PHE A 62 8.131 -15.379 -2.982 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.369 -13.254 -3.880 1.00 0.00 C ATOM 1003 CZ PHE A 62 8.278 -14.321 -3.893 1.00 0.00 C ATOM 0 H PHE A 62 4.804 -13.791 2.147 1.00 0.00 H new ATOM 0 HA PHE A 62 6.921 -13.478 0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.844 -15.135 -0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.355 -13.557 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.978 -16.153 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.643 -12.383 -2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.816 -16.214 -3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.471 -12.455 -4.600 1.00 0.00 H new ATOM 0 HZ PHE A 62 9.091 -14.329 -4.604 1.00 0.00 H new ATOM 1013 N TYR A 63 6.161 -11.031 0.370 1.00 0.00 N ATOM 1014 CA TYR A 63 5.680 -9.674 0.600 1.00 0.00 C ATOM 1015 C TYR A 63 6.655 -8.597 0.127 1.00 0.00 C ATOM 1016 O TYR A 63 7.784 -8.886 -0.263 1.00 0.00 O ATOM 1017 CB TYR A 63 5.460 -9.450 2.085 1.00 0.00 C ATOM 1018 CG TYR A 63 6.585 -9.753 3.031 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.392 -8.677 3.439 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.544 -10.930 3.795 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.173 -8.781 4.598 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.315 -11.032 4.960 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.153 -9.969 5.351 1.00 0.00 C ATOM 1024 OH TYR A 63 8.937 -10.091 6.461 1.00 0.00 O ATOM 0 H TYR A 63 7.140 -11.110 0.094 1.00 0.00 H new ATOM 0 HA TYR A 63 4.757 -9.586 0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.182 -8.405 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.602 -10.051 2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.410 -7.767 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.919 -11.755 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.789 -7.951 4.912 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.267 -11.928 5.560 1.00 0.00 H new ATOM 0 HH TYR A 63 8.635 -10.857 6.993 1.00 0.00 H new ATOM 1034 N LEU A 64 6.208 -7.338 0.237 1.00 0.00 N ATOM 1035 CA LEU A 64 6.933 -6.143 -0.163 1.00 0.00 C ATOM 1036 C LEU A 64 6.260 -4.908 0.444 1.00 0.00 C ATOM 1037 O LEU A 64 5.114 -4.965 0.893 1.00 0.00 O ATOM 1038 CB LEU A 64 7.083 -6.055 -1.698 1.00 0.00 C ATOM 1039 CG LEU A 64 5.818 -5.703 -2.502 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.016 -6.015 -3.995 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.589 -6.489 -2.047 1.00 0.00 C ATOM 0 H LEU A 64 5.289 -7.125 0.626 1.00 0.00 H new ATOM 0 HA LEU A 64 7.950 -6.193 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.846 -5.309 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.458 -7.013 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 64 5.654 -4.639 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.110 -5.759 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.851 -5.431 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.227 -7.077 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.728 -6.199 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.774 -7.556 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.387 -6.273 -0.998 1.00 0.00 H new ATOM 1053 N LEU A 65 7.002 -3.800 0.487 1.00 0.00 N ATOM 1054 CA LEU A 65 6.610 -2.544 1.093 1.00 0.00 C ATOM 1055 C LEU A 65 6.692 -1.476 0.004 1.00 0.00 C ATOM 1056 O LEU A 65 7.650 -1.478 -0.766 1.00 0.00 O ATOM 1057 CB LEU A 65 7.598 -2.274 2.235 1.00 0.00 C ATOM 1058 CG LEU A 65 6.992 -1.570 3.448 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.094 -1.462 4.502 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.446 -0.189 3.088 1.00 0.00 C ATOM 0 H LEU A 65 7.936 -3.761 0.078 1.00 0.00 H new ATOM 0 HA LEU A 65 5.598 -2.553 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.027 -3.222 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.419 -1.667 1.852 1.00 0.00 H new ATOM 0 HG LEU A 65 6.145 -2.142 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.702 -0.963 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.440 -2.460 4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.927 -0.885 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.024 0.279 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.254 0.432 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.670 -0.291 2.329 1.00 0.00 H new ATOM 1072 N TYR A 66 5.690 -0.594 -0.086 1.00 0.00 N ATOM 1073 CA TYR A 66 5.582 0.398 -1.145 1.00 0.00 C ATOM 1074 C TYR A 66 5.362 1.777 -0.517 1.00 0.00 C ATOM 1075 O TYR A 66 4.255 2.086 -0.076 1.00 0.00 O ATOM 1076 CB TYR A 66 4.434 0.024 -2.100 1.00 0.00 C ATOM 1077 CG TYR A 66 4.327 -1.437 -2.519 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.630 -2.359 -1.705 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.684 -1.818 -3.827 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.140 -3.555 -2.247 1.00 0.00 C ATOM 1081 CE2 TYR A 66 4.192 -3.012 -4.371 1.00 0.00 C ATOM 1082 CZ TYR A 66 3.340 -3.827 -3.612 1.00 0.00 C ATOM 1083 OH TYR A 66 2.709 -4.869 -4.217 1.00 0.00 O ATOM 0 H TYR A 66 4.925 -0.554 0.587 1.00 0.00 H new ATOM 0 HA TYR A 66 6.502 0.425 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.494 0.310 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.534 0.628 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.474 -2.140 -0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.338 -1.189 -4.412 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.614 -4.261 -1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.469 -3.304 -5.373 1.00 0.00 H new ATOM 0 HH TYR A 66 1.979 -5.186 -3.645 1.00 0.00 H new ATOM 1093 N TYR A 67 6.437 2.576 -0.437 1.00 0.00 N ATOM 1094 CA TYR A 67 6.467 3.815 0.332 1.00 0.00 C ATOM 1095 C TYR A 67 6.823 5.058 -0.486 1.00 0.00 C ATOM 1096 O TYR A 67 7.479 4.991 -1.523 1.00 0.00 O ATOM 1097 CB TYR A 67 7.387 3.692 1.558 1.00 0.00 C ATOM 1098 CG TYR A 67 8.644 2.851 1.430 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.411 2.872 0.255 1.00 0.00 C ATOM 1100 CD2 TYR A 67 9.079 2.088 2.525 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.573 2.094 0.152 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.261 1.334 2.439 1.00 0.00 C ATOM 1103 CZ TYR A 67 11.007 1.330 1.247 1.00 0.00 C ATOM 1104 OH TYR A 67 12.149 0.588 1.153 1.00 0.00 O ATOM 0 H TYR A 67 7.316 2.372 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 67 5.440 3.963 0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.688 4.698 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.796 3.285 2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.104 3.491 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.502 2.081 3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.135 2.082 -0.770 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.597 0.757 3.288 1.00 0.00 H new ATOM 0 HH TYR A 67 12.306 0.121 2.000 1.00 0.00 H new ATOM 1114 N THR A 68 6.362 6.203 0.021 1.00 0.00 N ATOM 1115 CA THR A 68 6.514 7.503 -0.629 1.00 0.00 C ATOM 1116 C THR A 68 6.431 8.628 0.409 1.00 0.00 C ATOM 1117 O THR A 68 5.805 8.440 1.452 1.00 0.00 O ATOM 1118 CB THR A 68 5.420 7.692 -1.689 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.660 8.899 -2.382 1.00 0.00 O ATOM 1120 CG2 THR A 68 4.018 7.726 -1.081 1.00 0.00 C ATOM 0 H THR A 68 5.864 6.252 0.910 1.00 0.00 H new ATOM 0 HA THR A 68 7.490 7.540 -1.113 1.00 0.00 H new ATOM 0 HB THR A 68 5.459 6.838 -2.366 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.369 8.760 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.281 7.862 -1.873 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.824 6.788 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.948 8.553 -0.375 1.00 0.00 H new ATOM 1128 N GLU A 69 6.975 9.813 0.102 1.00 0.00 N ATOM 1129 CA GLU A 69 6.837 10.998 0.944 1.00 0.00 C ATOM 1130 C GLU A 69 5.601 11.809 0.536 1.00 0.00 C ATOM 1131 O GLU A 69 5.719 12.873 -0.070 1.00 0.00 O ATOM 1132 CB GLU A 69 8.139 11.815 0.957 1.00 0.00 C ATOM 1133 CG GLU A 69 8.763 12.138 -0.408 1.00 0.00 C ATOM 1134 CD GLU A 69 10.012 12.998 -0.229 1.00 0.00 C ATOM 1135 OE1 GLU A 69 11.027 12.436 0.237 1.00 0.00 O ATOM 1136 OE2 GLU A 69 9.928 14.204 -0.548 1.00 0.00 O ATOM 0 H GLU A 69 7.525 9.972 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 69 6.669 10.690 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.946 12.755 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.876 11.272 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.020 11.214 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.039 12.662 -1.032 1.00 0.00 H new ATOM 1143 N PHE A 70 4.404 11.310 0.880 1.00 0.00 N ATOM 1144 CA PHE A 70 3.150 11.943 0.492 1.00 0.00 C ATOM 1145 C PHE A 70 2.904 13.209 1.290 1.00 0.00 C ATOM 1146 O PHE A 70 3.294 13.298 2.445 1.00 0.00 O ATOM 1147 CB PHE A 70 1.954 10.998 0.627 1.00 0.00 C ATOM 1148 CG PHE A 70 1.289 10.842 1.988 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.053 10.652 3.155 1.00 0.00 C ATOM 1150 CD2 PHE A 70 -0.070 10.487 2.016 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.493 10.006 4.272 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.530 9.611 3.006 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.245 9.383 4.154 1.00 0.00 C ATOM 0 H PHE A 70 4.286 10.460 1.432 1.00 0.00 H new ATOM 0 HA PHE A 70 3.250 12.203 -0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.191 11.330 -0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.277 10.009 0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.073 11.004 3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.753 10.886 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.022 9.991 5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.480 9.111 2.887 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.118 8.734 4.938 1.00 0.00 H new ATOM 1163 N THR A 71 2.250 14.182 0.665 1.00 0.00 N ATOM 1164 CA THR A 71 2.092 15.508 1.231 1.00 0.00 C ATOM 1165 C THR A 71 0.604 15.777 1.443 1.00 0.00 C ATOM 1166 O THR A 71 -0.083 16.127 0.483 1.00 0.00 O ATOM 1167 CB THR A 71 2.766 16.526 0.305 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.124 16.172 0.135 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.698 17.927 0.914 1.00 0.00 C ATOM 0 H THR A 71 1.815 14.069 -0.251 1.00 0.00 H new ATOM 0 HA THR A 71 2.576 15.592 2.204 1.00 0.00 H new ATOM 0 HB THR A 71 2.248 16.524 -0.654 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.559 16.820 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.181 18.639 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.655 18.212 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.209 17.930 1.877 1.00 0.00 H new ATOM 1177 N PRO A 72 0.081 15.606 2.669 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.312 15.881 2.956 1.00 0.00 C ATOM 1179 C PRO A 72 -1.576 17.384 2.919 1.00 0.00 C ATOM 1180 O PRO A 72 -1.304 18.077 3.894 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.590 15.295 4.342 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.215 15.241 5.005 1.00 0.00 C ATOM 1183 CD PRO A 72 0.753 15.057 3.838 1.00 0.00 C ATOM 0 HA PRO A 72 -1.972 15.433 2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.281 15.920 4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.039 14.304 4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.003 16.156 5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.146 14.416 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.694 15.574 4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.992 14.004 3.692 1.00 0.00 H new ATOM 1191 N THR A 73 -2.141 17.865 1.806 1.00 0.00 N ATOM 1192 CA THR A 73 -2.674 19.214 1.655 1.00 0.00 C ATOM 1193 C THR A 73 -4.035 19.303 2.359 1.00 0.00 C ATOM 1194 O THR A 73 -4.472 18.350 3.002 1.00 0.00 O ATOM 1195 CB THR A 73 -2.781 19.548 0.154 1.00 0.00 C ATOM 1196 OG1 THR A 73 -3.700 18.683 -0.486 1.00 0.00 O ATOM 1197 CG2 THR A 73 -1.417 19.468 -0.540 1.00 0.00 C ATOM 0 H THR A 73 -2.241 17.303 0.960 1.00 0.00 H new ATOM 0 HA THR A 73 -2.010 19.945 2.117 1.00 0.00 H new ATOM 0 HB THR A 73 -3.142 20.573 0.074 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.756 18.911 -1.437 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.532 19.710 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.731 20.178 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.016 18.459 -0.440 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.714 20.448 2.224 1.00 0.00 N ATOM 1206 CA GLU A 74 -6.077 20.643 2.699 1.00 0.00 C ATOM 1207 C GLU A 74 -6.995 19.542 2.152 1.00 0.00 C ATOM 1208 O GLU A 74 -7.669 18.863 2.924 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.545 22.051 2.295 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.891 22.452 2.917 1.00 0.00 C ATOM 1211 CD GLU A 74 -9.092 21.820 2.217 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -9.184 21.988 0.982 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -9.902 21.189 2.929 1.00 0.00 O ATOM 0 H GLU A 74 -4.320 21.274 1.774 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.115 20.569 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.787 22.776 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.627 22.100 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.898 22.163 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.990 23.537 2.884 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.000 19.360 0.824 1.00 0.00 N ATOM 1221 CA LYS A 75 -7.861 18.411 0.129 1.00 0.00 C ATOM 1222 C LYS A 75 -7.073 17.141 -0.208 1.00 0.00 C ATOM 1223 O LYS A 75 -7.068 16.683 -1.351 1.00 0.00 O ATOM 1224 CB LYS A 75 -8.461 19.103 -1.109 1.00 0.00 C ATOM 1225 CG LYS A 75 -9.875 18.620 -1.462 1.00 0.00 C ATOM 1226 CD LYS A 75 -9.946 17.174 -1.971 1.00 0.00 C ATOM 1227 CE LYS A 75 -11.359 16.882 -2.489 1.00 0.00 C ATOM 1228 NZ LYS A 75 -11.464 15.536 -3.079 1.00 0.00 N ATOM 0 H LYS A 75 -6.390 19.883 0.196 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.690 18.096 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.487 20.179 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.805 18.933 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.508 18.712 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.291 19.280 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.217 17.021 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.691 16.482 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.072 16.975 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.633 17.627 -3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.243 15.519 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.572 15.296 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.651 14.841 -2.328 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.407 16.556 0.794 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.709 15.289 0.636 1.00 0.00 C ATOM 1244 C ASP A 76 -6.735 14.156 0.580 1.00 0.00 C ATOM 1245 O ASP A 76 -7.668 14.130 1.382 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.689 15.105 1.765 1.00 0.00 C ATOM 1247 CG ASP A 76 -5.320 14.816 3.121 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -6.018 15.716 3.632 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -5.081 13.705 3.646 1.00 0.00 O ATOM 0 H ASP A 76 -6.341 16.951 1.732 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.148 15.278 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.017 14.287 1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.080 16.006 1.842 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.593 13.242 -0.389 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.532 12.143 -0.573 1.00 0.00 C ATOM 1256 C GLU A 77 -6.758 10.913 -1.041 1.00 0.00 C ATOM 1257 O GLU A 77 -7.069 10.315 -2.068 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.628 12.601 -1.547 1.00 0.00 C ATOM 1259 CG GLU A 77 -9.885 11.725 -1.503 1.00 0.00 C ATOM 1260 CD GLU A 77 -10.990 12.360 -2.338 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -11.002 12.111 -3.562 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -11.778 13.131 -1.748 1.00 0.00 O ATOM 0 H GLU A 77 -5.826 13.249 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.031 11.862 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.903 13.630 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.227 12.598 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.658 10.729 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.219 11.605 -0.472 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.717 10.557 -0.279 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.786 9.507 -0.641 1.00 0.00 C ATOM 1271 C TYR A 78 -5.369 8.131 -0.329 1.00 0.00 C ATOM 1272 O TYR A 78 -6.092 7.942 0.648 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.420 9.740 0.012 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.645 10.920 -0.550 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -3.022 12.231 -0.215 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.483 10.716 -1.315 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -2.246 13.326 -0.627 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.694 11.816 -1.706 1.00 0.00 C ATOM 1279 CZ TYR A 78 -1.044 13.116 -1.315 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.220 14.163 -1.607 1.00 0.00 O ATOM 0 H TYR A 78 -5.504 11.001 0.614 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.624 9.537 -1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.564 9.893 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.818 8.839 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.917 12.398 0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.195 9.716 -1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.576 14.332 -0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.186 11.657 -2.311 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.205 14.788 -0.852 1.00 0.00 H new ATOM 1290 N ALA A 79 -5.052 7.181 -1.209 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.502 5.804 -1.184 1.00 0.00 C ATOM 1292 C ALA A 79 -4.443 4.939 -1.863 1.00 0.00 C ATOM 1293 O ALA A 79 -3.467 5.456 -2.411 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.860 5.692 -1.887 1.00 0.00 C ATOM 0 H ALA A 79 -4.438 7.371 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.634 5.458 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.196 4.655 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.588 6.320 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.762 6.022 -2.921 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.627 3.617 -1.796 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.631 2.652 -2.229 1.00 0.00 C ATOM 1302 C CYS A 80 -4.316 1.456 -2.884 1.00 0.00 C ATOM 1303 O CYS A 80 -5.217 0.853 -2.303 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.751 2.256 -1.036 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.026 1.970 -1.501 1.00 0.00 S ATOM 0 H CYS A 80 -5.481 3.190 -1.436 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.977 3.092 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.794 3.042 -0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.153 1.353 -0.578 1.00 0.00 H new ATOM 1310 N ARG A 81 -3.900 1.143 -4.114 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.441 0.058 -4.921 1.00 0.00 C ATOM 1312 C ARG A 81 -4.044 -1.282 -4.295 1.00 0.00 C ATOM 1313 O ARG A 81 -2.948 -1.390 -3.757 1.00 0.00 O ATOM 1314 CB ARG A 81 -3.879 0.228 -6.336 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.374 -0.816 -7.338 1.00 0.00 C ATOM 1316 CD ARG A 81 -3.776 -0.537 -8.722 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.384 0.649 -9.344 1.00 0.00 N ATOM 1318 CZ ARG A 81 -3.984 1.208 -10.500 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -2.928 0.728 -11.170 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -4.647 2.263 -10.993 1.00 0.00 N ATOM 0 H ARG A 81 -3.155 1.656 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.530 0.079 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.142 1.220 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.791 0.184 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.092 -1.815 -7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.462 -0.794 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.700 -0.390 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.926 -1.404 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.171 1.082 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.414 -0.074 -10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.638 1.164 -12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.452 2.639 -10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.347 2.690 -11.869 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.913 -2.301 -4.339 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.559 -3.646 -3.926 1.00 0.00 C ATOM 1336 C VAL A 82 -5.218 -4.604 -4.914 1.00 0.00 C ATOM 1337 O VAL A 82 -6.391 -4.941 -4.761 1.00 0.00 O ATOM 1338 CB VAL A 82 -5.001 -3.929 -2.478 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.365 -5.246 -2.037 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.643 -2.811 -1.488 1.00 0.00 C ATOM 0 H VAL A 82 -5.876 -2.206 -4.662 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.477 -3.776 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.089 -3.987 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.663 -5.469 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.698 -6.049 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.280 -5.161 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.987 -3.084 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.562 -2.670 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.125 -1.884 -1.797 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.470 -5.024 -5.939 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.947 -5.974 -6.935 1.00 0.00 C ATOM 1352 C ASN A 83 -3.960 -7.150 -6.950 1.00 0.00 C ATOM 1353 O ASN A 83 -3.128 -7.252 -7.848 1.00 0.00 O ATOM 1354 CB ASN A 83 -5.053 -5.319 -8.325 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.773 -3.970 -8.401 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.355 -3.477 -7.437 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.726 -3.357 -9.585 1.00 0.00 N ATOM 0 H ASN A 83 -3.513 -4.710 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.949 -6.320 -6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.044 -5.188 -8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.565 -6.015 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.181 -2.453 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.235 -3.793 -10.366 1.00 0.00 H new ATOM 1364 N HIS A 84 -4.025 -8.034 -5.947 1.00 0.00 N ATOM 1365 CA HIS A 84 -3.217 -9.250 -5.919 1.00 0.00 C ATOM 1366 C HIS A 84 -3.853 -10.232 -6.909 1.00 0.00 C ATOM 1367 O HIS A 84 -5.059 -10.160 -7.140 1.00 0.00 O ATOM 1368 CB HIS A 84 -3.221 -9.814 -4.498 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.530 -11.145 -4.376 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -3.257 -12.306 -4.130 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -1.202 -11.466 -4.480 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -2.345 -13.278 -4.075 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -1.104 -12.832 -4.314 1.00 0.00 N ATOM 0 H HIS A 84 -4.637 -7.924 -5.138 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.181 -9.061 -6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.737 -9.100 -3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.252 -9.917 -4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.387 -10.780 -4.658 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.581 -14.310 -3.861 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.253 -13.393 -4.363 1.00 0.00 H new ATOM 1381 N VAL A 85 -3.075 -11.150 -7.496 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.599 -12.094 -8.483 1.00 0.00 C ATOM 1383 C VAL A 85 -4.822 -12.878 -7.977 1.00 0.00 C ATOM 1384 O VAL A 85 -5.720 -13.165 -8.766 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.476 -13.003 -9.018 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.968 -14.002 -7.973 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.920 -13.769 -10.271 1.00 0.00 C ATOM 0 H VAL A 85 -2.079 -11.257 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.974 -11.511 -9.325 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.655 -12.332 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.178 -14.614 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.575 -13.460 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.789 -14.643 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.103 -14.400 -10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.782 -14.392 -10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.191 -13.060 -11.053 1.00 0.00 H new ATOM 1397 N THR A 86 -4.882 -13.202 -6.676 1.00 0.00 N ATOM 1398 CA THR A 86 -6.007 -13.941 -6.107 1.00 0.00 C ATOM 1399 C THR A 86 -7.224 -13.047 -5.838 1.00 0.00 C ATOM 1400 O THR A 86 -8.344 -13.554 -5.822 1.00 0.00 O ATOM 1401 CB THR A 86 -5.573 -14.773 -4.888 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.198 -16.037 -4.945 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.918 -14.133 -3.541 1.00 0.00 C ATOM 0 H THR A 86 -4.158 -12.960 -6.000 1.00 0.00 H new ATOM 0 HA THR A 86 -6.343 -14.654 -6.860 1.00 0.00 H new ATOM 0 HB THR A 86 -4.487 -14.845 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.623 -16.706 -4.518 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.579 -14.781 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.424 -13.165 -3.461 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.997 -13.997 -3.469 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.027 -11.733 -5.637 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.129 -10.788 -5.522 1.00 0.00 C ATOM 1413 C LEU A 87 -8.785 -10.650 -6.894 1.00 0.00 C ATOM 1414 O LEU A 87 -8.224 -10.025 -7.792 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.620 -9.427 -5.018 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.604 -9.279 -3.490 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.004 -10.487 -2.764 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -6.816 -8.014 -3.131 1.00 0.00 C ATOM 0 H LEU A 87 -6.104 -11.308 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.860 -11.151 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.610 -9.268 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.246 -8.640 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.640 -9.210 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.025 -10.312 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.586 -11.378 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.973 -10.631 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.795 -7.894 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.796 -8.102 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.296 -7.146 -3.583 1.00 0.00 H new ATOM 1430 N SER A 88 -9.991 -11.214 -7.041 1.00 0.00 N ATOM 1431 CA SER A 88 -10.771 -11.164 -8.271 1.00 0.00 C ATOM 1432 C SER A 88 -11.515 -9.829 -8.431 1.00 0.00 C ATOM 1433 O SER A 88 -12.485 -9.757 -9.184 1.00 0.00 O ATOM 1434 CB SER A 88 -11.749 -12.346 -8.284 1.00 0.00 C ATOM 1435 OG SER A 88 -11.065 -13.554 -8.026 1.00 0.00 O ATOM 0 H SER A 88 -10.455 -11.726 -6.291 1.00 0.00 H new ATOM 0 HA SER A 88 -10.091 -11.238 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.525 -12.193 -7.534 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.248 -12.403 -9.251 1.00 0.00 H new ATOM 0 HG SER A 88 -11.702 -14.299 -8.036 1.00 0.00 H new ATOM 1441 N GLN A 89 -11.070 -8.776 -7.732 1.00 0.00 N ATOM 1442 CA GLN A 89 -11.613 -7.435 -7.797 1.00 0.00 C ATOM 1443 C GLN A 89 -10.522 -6.463 -7.330 1.00 0.00 C ATOM 1444 O GLN A 89 -9.767 -6.802 -6.420 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.874 -7.329 -6.930 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.642 -7.727 -5.466 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.917 -7.639 -4.630 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.879 -6.974 -5.009 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -13.928 -8.311 -3.478 1.00 0.00 N ATOM 0 H GLN A 89 -10.288 -8.851 -7.081 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.907 -7.186 -8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.246 -6.305 -6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.651 -7.965 -7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.254 -8.745 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.881 -7.079 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.111 -8.853 -3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.753 -8.283 -2.879 1.00 0.00 H new ATOM 1458 N PRO A 90 -10.408 -5.270 -7.935 1.00 0.00 N ATOM 1459 CA PRO A 90 -9.394 -4.299 -7.567 1.00 0.00 C ATOM 1460 C PRO A 90 -9.809 -3.610 -6.263 1.00 0.00 C ATOM 1461 O PRO A 90 -10.762 -2.831 -6.245 1.00 0.00 O ATOM 1462 CB PRO A 90 -9.332 -3.331 -8.753 1.00 0.00 C ATOM 1463 CG PRO A 90 -10.754 -3.359 -9.316 1.00 0.00 C ATOM 1464 CD PRO A 90 -11.198 -4.800 -9.062 1.00 0.00 C ATOM 0 HA PRO A 90 -8.412 -4.735 -7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.046 -2.328 -8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.601 -3.652 -9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.402 -2.642 -8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.772 -3.112 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.264 -4.846 -8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.030 -5.421 -9.942 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.114 -3.925 -5.164 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.495 -3.515 -3.822 1.00 0.00 C ATOM 1474 C LYS A 91 -8.723 -2.249 -3.458 1.00 0.00 C ATOM 1475 O LYS A 91 -7.643 -2.314 -2.881 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.247 -4.687 -2.857 1.00 0.00 C ATOM 1477 CG LYS A 91 -9.555 -4.396 -1.381 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.985 -3.885 -1.175 1.00 0.00 C ATOM 1479 CE LYS A 91 -11.337 -3.825 0.315 1.00 0.00 C ATOM 1480 NZ LYS A 91 -12.724 -3.370 0.514 1.00 0.00 N ATOM 0 H LYS A 91 -8.259 -4.481 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.555 -3.270 -3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.853 -5.535 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.204 -4.991 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.408 -5.304 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.849 -3.656 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.088 -2.894 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.687 -4.539 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.206 -4.810 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.652 -3.149 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.936 -3.338 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.840 -2.420 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.377 -4.030 0.045 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.277 -1.085 -3.805 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.650 0.193 -3.519 1.00 0.00 C ATOM 1496 C ILE A 92 -8.963 0.568 -2.065 1.00 0.00 C ATOM 1497 O ILE A 92 -10.133 0.675 -1.699 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.139 1.258 -4.517 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.214 0.761 -5.976 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.230 2.488 -4.407 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -7.900 0.200 -6.527 1.00 0.00 C ATOM 0 H ILE A 92 -10.171 -1.009 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.568 0.129 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.165 1.510 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.980 -0.011 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.536 1.586 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.565 3.252 -5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.274 2.883 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.204 2.204 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.047 -0.125 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.133 0.974 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.584 -0.649 -5.920 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.924 0.727 -1.235 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.031 0.966 0.201 1.00 0.00 C ATOM 1515 C VAL A 93 -7.586 2.396 0.504 1.00 0.00 C ATOM 1516 O VAL A 93 -6.456 2.765 0.193 1.00 0.00 O ATOM 1517 CB VAL A 93 -7.166 -0.060 0.958 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -7.185 0.192 2.472 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.664 -1.483 0.685 1.00 0.00 C ATOM 0 H VAL A 93 -6.958 0.691 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.064 0.848 0.529 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.143 0.052 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.564 -0.551 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.796 1.189 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.208 0.117 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.043 -2.196 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.698 -1.577 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.606 -1.690 -0.384 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.463 3.195 1.126 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.154 4.564 1.516 1.00 0.00 C ATOM 1531 C LYS A 94 -7.056 4.603 2.585 1.00 0.00 C ATOM 1532 O LYS A 94 -6.925 3.666 3.371 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.427 5.274 2.008 1.00 0.00 C ATOM 1534 CG LYS A 94 -9.946 4.743 3.355 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.155 5.558 3.828 1.00 0.00 C ATOM 1536 CE LYS A 94 -11.602 5.107 5.225 1.00 0.00 C ATOM 1537 NZ LYS A 94 -12.603 6.027 5.796 1.00 0.00 N ATOM 0 H LYS A 94 -9.409 2.902 1.371 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.776 5.093 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.225 6.341 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.209 5.162 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.225 3.694 3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.153 4.793 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.900 6.618 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.977 5.440 3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.021 4.102 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.737 5.054 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.883 5.693 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.194 6.980 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.439 6.058 5.178 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.307 5.710 2.649 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.439 5.991 3.782 1.00 0.00 C ATOM 1553 C TRP A 95 -6.294 6.512 4.937 1.00 0.00 C ATOM 1554 O TRP A 95 -6.726 7.664 4.915 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.375 7.025 3.397 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.586 7.598 4.538 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -3.041 6.901 5.560 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.234 8.992 4.780 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.408 7.765 6.432 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.484 9.073 5.989 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.414 10.191 4.057 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -1.957 10.289 6.460 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.732 11.364 4.423 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.037 11.427 5.641 1.00 0.00 C ATOM 0 H TRP A 95 -6.290 6.425 1.922 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.926 5.079 4.087 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.681 6.562 2.695 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.864 7.844 2.869 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.093 5.829 5.677 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.944 7.475 7.293 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.085 10.207 3.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.498 10.347 7.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.743 12.220 3.765 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.565 12.349 5.948 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.495 5.681 5.965 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.981 6.149 7.252 1.00 0.00 C ATOM 1577 C ASP A 96 -5.892 6.996 7.905 1.00 0.00 C ATOM 1578 O ASP A 96 -4.747 6.565 8.027 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.396 4.978 8.148 1.00 0.00 C ATOM 1580 CG ASP A 96 -6.314 3.906 8.277 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -6.104 3.187 7.274 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -5.719 3.821 9.373 1.00 0.00 O ATOM 0 H ASP A 96 -6.325 4.676 5.922 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.872 6.759 7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.643 5.357 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.302 4.524 7.746 1.00 0.00 H new ATOM 1587 N ARG A 97 -6.260 8.218 8.296 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.345 9.178 8.903 1.00 0.00 C ATOM 1589 C ARG A 97 -4.801 8.621 10.219 1.00 0.00 C ATOM 1590 O ARG A 97 -3.591 8.586 10.437 1.00 0.00 O ATOM 1591 CB ARG A 97 -6.062 10.514 9.152 1.00 0.00 C ATOM 1592 CG ARG A 97 -6.443 11.272 7.873 1.00 0.00 C ATOM 1593 CD ARG A 97 -5.208 11.681 7.053 1.00 0.00 C ATOM 1594 NE ARG A 97 -5.377 12.989 6.399 1.00 0.00 N ATOM 1595 CZ ARG A 97 -5.321 14.173 7.035 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -5.091 14.232 8.354 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -5.499 15.312 6.356 1.00 0.00 N ATOM 0 H ARG A 97 -7.212 8.569 8.198 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.513 9.350 8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.965 10.326 9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.419 11.150 9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.093 10.646 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.014 12.162 8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.336 11.714 7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.010 10.922 6.296 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.549 12.998 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.956 13.373 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.051 15.136 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.678 15.285 5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.456 16.208 6.842 1.00 0.00 H new ATOM 1611 N ASP A 98 -5.731 8.197 11.076 1.00 0.00 N ATOM 1612 CA ASP A 98 -5.501 7.588 12.377 1.00 0.00 C ATOM 1613 C ASP A 98 -6.543 6.484 12.563 1.00 0.00 C ATOM 1614 O ASP A 98 -6.192 5.320 12.749 1.00 0.00 O ATOM 1615 CB ASP A 98 -5.617 8.663 13.464 1.00 0.00 C ATOM 1616 CG ASP A 98 -5.494 8.061 14.861 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -4.341 7.797 15.268 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -6.555 7.876 15.496 1.00 0.00 O ATOM 0 H ASP A 98 -6.725 8.277 10.862 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.503 7.154 12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.839 9.413 13.320 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.575 9.175 13.370 1.00 0.00 H new ATOM 1623 N MET A 99 -7.822 6.870 12.472 1.00 0.00 N ATOM 1624 CA MET A 99 -8.972 5.984 12.388 1.00 0.00 C ATOM 1625 C MET A 99 -9.815 6.356 11.161 1.00 0.00 C ATOM 1626 O MET A 99 -9.510 7.398 10.536 1.00 0.00 O ATOM 1627 CB MET A 99 -9.781 6.056 13.692 1.00 0.00 C ATOM 1628 CG MET A 99 -10.380 7.442 13.966 1.00 0.00 C ATOM 1629 SD MET A 99 -11.351 7.528 15.500 1.00 0.00 S ATOM 1630 CE MET A 99 -11.986 9.220 15.379 1.00 0.00 C ATOM 1631 OXT MET A 99 -10.760 5.591 10.868 1.00 0.00 O ATOM 0 H MET A 99 -8.087 7.855 12.455 1.00 0.00 H new ATOM 0 HA MET A 99 -8.644 4.952 12.265 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.586 5.323 13.651 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.137 5.776 14.526 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.573 8.173 14.016 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.016 7.725 13.127 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.607 9.439 16.248 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.151 9.920 15.344 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.582 9.321 14.472 1.00 0.00 H new TER 1641 MET A 99