USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 22 CYS SG : rot 152:sc= 1.48 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.938 K(o=2.4,f=0.43) USER MOD Set 2.1: A 1 MET N :NH3+ 169:sc= -0.238 (180deg=0) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.542 X(o=-0.78,f=-0.38) USER MOD Set 3.1: A 10 MET CE :methyl 158:sc= -1.1 (180deg=-2.17) USER MOD Set 3.2: A 24 TYR OH : rot 141:sc= 0.63 USER MOD Set 4.1: A 17 ASN : amide:sc= 0.733 K(o=1.6,f=0.061) USER MOD Set 4.2: A 18 SER OG : rot -94:sc= 0.825 USER MOD Single : A 1 MET CE :methyl 141:sc= -0.756 (180deg=-5.28!) USER MOD Single : A 3 ASN : amide:sc= -0.847 X(o=-0.85,f=-0.73) USER MOD Single : A 4 MET CE :methyl -112:sc= -1.67 (180deg=-6.9!) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0465) USER MOD Single : A 9 SER OG : rot 36:sc= 0.0609 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0.00433 (180deg=0.00433) USER MOD Single : A 16 SER OG : rot 107:sc= 0.946 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 1.79 (180deg=1.71) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.024 (180deg=-0.345) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 78:sc= 1.21 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -150:sc= -0.0802 USER MOD Single : A 62 LYS NZ :NH3+ -112:sc= 1.27 (180deg=-0.213) USER MOD Single : A 63 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.53) USER MOD Single : A 65 SER OG : rot 141:sc= 0.0264 USER MOD Single : A 68 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.7!) USER MOD Single : A 69 TYR OH : rot -131:sc= 0.031 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.02 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.13) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.011) USER MOD Single : A 88 LYS NZ :NH3+ -133:sc= -0.372 (180deg=-1.83!) USER MOD Single : A 89 ASN : amide:sc= -2.12 K(o=-2.1,f=-3.4!) USER MOD Single : A 91 SER OG : rot 59:sc= 1.19 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= -0.544 (180deg=-2.53!) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.366 -1.215 6.096 1.00 0.00 N ATOM 26 CA MET A 1 15.107 -1.731 6.636 1.00 0.00 C ATOM 27 C MET A 1 14.952 -3.196 6.239 1.00 0.00 C ATOM 28 O MET A 1 15.370 -3.559 5.141 1.00 0.00 O ATOM 29 CB MET A 1 13.940 -0.920 6.063 1.00 0.00 C ATOM 30 CG MET A 1 12.588 -1.405 6.605 1.00 0.00 C ATOM 31 SD MET A 1 12.424 -1.491 8.414 1.00 0.00 S ATOM 32 CE MET A 1 10.878 -2.438 8.595 1.00 0.00 C ATOM 0 H1 MET A 1 16.391 -0.181 6.201 1.00 0.00 H new ATOM 0 H2 MET A 1 17.164 -1.635 6.614 1.00 0.00 H new ATOM 0 H3 MET A 1 16.439 -1.463 5.089 1.00 0.00 H new ATOM 0 HA MET A 1 15.110 -1.646 7.723 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.074 0.133 6.310 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.944 -0.996 4.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.810 -0.744 6.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.393 -2.397 6.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.972 -3.132 9.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.052 -1.753 8.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.684 -2.996 7.679 1.00 0.00 H new ATOM 42 N ILE A 2 14.313 -4.018 7.072 1.00 0.00 N ATOM 43 CA ILE A 2 14.179 -5.461 6.897 1.00 0.00 C ATOM 44 C ILE A 2 12.689 -5.835 7.005 1.00 0.00 C ATOM 45 O ILE A 2 11.944 -5.162 7.713 1.00 0.00 O ATOM 46 CB ILE A 2 15.000 -6.154 8.012 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.458 -5.670 8.190 1.00 0.00 C ATOM 48 CG2 ILE A 2 15.009 -7.667 7.817 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.398 -5.934 7.005 1.00 0.00 C ATOM 0 H ILE A 2 13.857 -3.681 7.920 1.00 0.00 H new ATOM 0 HA ILE A 2 14.549 -5.780 5.923 1.00 0.00 H new ATOM 0 HB ILE A 2 14.479 -5.866 8.925 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.444 -4.598 8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.875 -6.151 9.075 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.592 -8.133 8.612 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.987 -8.044 7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.455 -7.907 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.393 -5.554 7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.454 -7.006 6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.016 -5.429 6.118 1.00 0.00 H new ATOM 61 N ASN A 3 12.258 -6.950 6.401 1.00 0.00 N ATOM 62 CA ASN A 3 10.921 -7.551 6.527 1.00 0.00 C ATOM 63 C ASN A 3 9.774 -6.573 6.195 1.00 0.00 C ATOM 64 O ASN A 3 8.659 -6.748 6.692 1.00 0.00 O ATOM 65 CB ASN A 3 10.702 -8.162 7.938 1.00 0.00 C ATOM 66 CG ASN A 3 11.727 -9.194 8.398 1.00 0.00 C ATOM 67 OD1 ASN A 3 11.985 -10.200 7.738 1.00 0.00 O ATOM 68 ND2 ASN A 3 12.322 -8.997 9.566 1.00 0.00 N ATOM 0 H ASN A 3 12.863 -7.486 5.779 1.00 0.00 H new ATOM 0 HA ASN A 3 10.891 -8.346 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.687 -7.349 8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.716 -8.627 7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.994 -9.679 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.108 -8.163 10.113 1.00 0.00 H new ATOM 75 N MET A 4 10.004 -5.491 5.450 1.00 0.00 N ATOM 76 CA MET A 4 9.049 -4.409 5.257 1.00 0.00 C ATOM 77 C MET A 4 8.072 -4.808 4.159 1.00 0.00 C ATOM 78 O MET A 4 8.464 -5.323 3.106 1.00 0.00 O ATOM 79 CB MET A 4 9.850 -3.176 4.874 1.00 0.00 C ATOM 80 CG MET A 4 9.104 -1.862 4.712 1.00 0.00 C ATOM 81 SD MET A 4 8.699 -1.035 6.271 1.00 0.00 S ATOM 82 CE MET A 4 9.372 0.618 5.942 1.00 0.00 C ATOM 0 H MET A 4 10.883 -5.343 4.954 1.00 0.00 H new ATOM 0 HA MET A 4 8.469 -4.202 6.157 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.621 -3.031 5.630 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.361 -3.388 3.935 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.707 -1.188 4.103 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.181 -2.048 4.163 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.233 0.795 6.586 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.680 0.684 4.899 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.608 1.369 6.143 1.00 0.00 H new ATOM 92 N LYS A 5 6.786 -4.585 4.411 1.00 0.00 N ATOM 93 CA LYS A 5 5.704 -5.081 3.571 1.00 0.00 C ATOM 94 C LYS A 5 4.655 -4.000 3.416 1.00 0.00 C ATOM 95 O LYS A 5 3.972 -3.663 4.381 1.00 0.00 O ATOM 96 CB LYS A 5 5.111 -6.343 4.204 1.00 0.00 C ATOM 97 CG LYS A 5 5.957 -7.577 3.881 1.00 0.00 C ATOM 98 CD LYS A 5 5.461 -8.856 4.574 1.00 0.00 C ATOM 99 CE LYS A 5 4.767 -9.867 3.648 1.00 0.00 C ATOM 100 NZ LYS A 5 5.691 -10.447 2.650 1.00 0.00 N ATOM 0 H LYS A 5 6.463 -4.047 5.215 1.00 0.00 H new ATOM 0 HA LYS A 5 6.080 -5.338 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.048 -6.215 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.094 -6.491 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.959 -7.735 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.989 -7.389 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.310 -9.346 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.767 -8.576 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.336 -10.668 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.942 -9.376 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.231 -11.250 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.938 -9.724 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.555 -10.775 3.127 1.00 0.00 H new ATOM 114 N VAL A 6 4.496 -3.487 2.201 1.00 0.00 N ATOM 115 CA VAL A 6 3.512 -2.464 1.887 1.00 0.00 C ATOM 116 C VAL A 6 2.564 -2.986 0.827 1.00 0.00 C ATOM 117 O VAL A 6 2.992 -3.703 -0.073 1.00 0.00 O ATOM 118 CB VAL A 6 4.225 -1.165 1.476 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.317 -0.149 0.776 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.815 -0.517 2.715 1.00 0.00 C ATOM 0 H VAL A 6 5.055 -3.775 1.398 1.00 0.00 H new ATOM 0 HA VAL A 6 2.911 -2.226 2.764 1.00 0.00 H new ATOM 0 HB VAL A 6 4.993 -1.447 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.895 0.739 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.908 -0.592 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.501 0.130 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.324 0.406 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.017 -0.292 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.529 -1.199 3.178 1.00 0.00 H new ATOM 130 N ALA A 7 1.293 -2.594 0.923 1.00 0.00 N ATOM 131 CA ALA A 7 0.288 -2.780 -0.109 1.00 0.00 C ATOM 132 C ALA A 7 0.133 -1.468 -0.882 1.00 0.00 C ATOM 133 O ALA A 7 -0.503 -0.534 -0.386 1.00 0.00 O ATOM 134 CB ALA A 7 -1.028 -3.208 0.547 1.00 0.00 C ATOM 0 H ALA A 7 0.929 -2.123 1.751 1.00 0.00 H new ATOM 0 HA ALA A 7 0.585 -3.560 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.788 -3.350 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.878 -4.143 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.355 -2.436 1.243 1.00 0.00 H new ATOM 140 N ILE A 8 0.711 -1.378 -2.080 1.00 0.00 N ATOM 141 CA ILE A 8 0.520 -0.244 -2.988 1.00 0.00 C ATOM 142 C ILE A 8 -0.757 -0.502 -3.786 1.00 0.00 C ATOM 143 O ILE A 8 -0.901 -1.577 -4.368 1.00 0.00 O ATOM 144 CB ILE A 8 1.753 -0.066 -3.906 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.988 0.210 -3.024 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.529 1.084 -4.900 1.00 0.00 C ATOM 147 CD1 ILE A 8 4.273 0.586 -3.771 1.00 0.00 C ATOM 0 H ILE A 8 1.331 -2.097 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 8 0.417 0.687 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 8 1.912 -0.975 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.744 1.016 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.187 -0.677 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.408 1.192 -5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.658 0.866 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.362 2.011 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.075 0.757 -3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.554 -0.226 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.105 1.494 -4.350 1.00 0.00 H new ATOM 159 N SER A 9 -1.680 0.458 -3.816 1.00 0.00 N ATOM 160 CA SER A 9 -2.905 0.326 -4.606 1.00 0.00 C ATOM 161 C SER A 9 -2.620 0.532 -6.104 1.00 0.00 C ATOM 162 O SER A 9 -2.103 1.581 -6.486 1.00 0.00 O ATOM 163 CB SER A 9 -3.952 1.306 -4.072 1.00 0.00 C ATOM 164 OG SER A 9 -3.466 2.632 -3.996 1.00 0.00 O ATOM 0 H SER A 9 -1.604 1.336 -3.303 1.00 0.00 H new ATOM 0 HA SER A 9 -3.300 -0.685 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.830 1.281 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.275 0.984 -3.082 1.00 0.00 H new ATOM 0 HG SER A 9 -2.869 2.805 -4.754 1.00 0.00 H new ATOM 170 N MET A 10 -2.958 -0.439 -6.961 1.00 0.00 N ATOM 171 CA MET A 10 -2.722 -0.383 -8.403 1.00 0.00 C ATOM 172 C MET A 10 -4.028 -0.559 -9.183 1.00 0.00 C ATOM 173 O MET A 10 -4.976 -1.172 -8.694 1.00 0.00 O ATOM 174 CB MET A 10 -1.740 -1.489 -8.804 1.00 0.00 C ATOM 175 CG MET A 10 -0.356 -1.340 -8.152 1.00 0.00 C ATOM 176 SD MET A 10 1.082 -1.822 -9.160 1.00 0.00 S ATOM 177 CE MET A 10 0.793 -0.956 -10.738 1.00 0.00 C ATOM 0 H MET A 10 -3.412 -1.302 -6.662 1.00 0.00 H new ATOM 0 HA MET A 10 -2.305 0.595 -8.643 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.161 -2.456 -8.529 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.625 -1.488 -9.888 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.230 -0.298 -7.856 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.345 -1.934 -7.238 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.738 -0.843 -11.270 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.100 -1.534 -11.349 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.368 0.028 -10.540 1.00 0.00 H new ATOM 187 N ASP A 11 -4.066 -0.030 -10.408 1.00 0.00 N ATOM 188 CA ASP A 11 -5.204 -0.048 -11.338 1.00 0.00 C ATOM 189 C ASP A 11 -4.922 -1.021 -12.478 1.00 0.00 C ATOM 190 O ASP A 11 -5.612 -2.019 -12.647 1.00 0.00 O ATOM 191 CB ASP A 11 -5.357 1.372 -11.912 1.00 0.00 C ATOM 192 CG ASP A 11 -6.652 1.578 -12.689 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.708 1.828 -12.071 1.00 0.00 O ATOM 194 OD2 ASP A 11 -6.617 1.548 -13.938 1.00 0.00 O ATOM 0 H ASP A 11 -3.258 0.451 -10.803 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.112 -0.361 -10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.315 2.092 -11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.512 1.583 -12.567 1.00 0.00 H new ATOM 199 N VAL A 12 -3.876 -0.761 -13.250 1.00 0.00 N ATOM 200 CA VAL A 12 -3.370 -1.649 -14.282 1.00 0.00 C ATOM 201 C VAL A 12 -1.865 -1.518 -14.133 1.00 0.00 C ATOM 202 O VAL A 12 -1.230 -2.329 -13.462 1.00 0.00 O ATOM 203 CB VAL A 12 -3.928 -1.265 -15.678 1.00 0.00 C ATOM 204 CG1 VAL A 12 -3.346 -2.152 -16.788 1.00 0.00 C ATOM 205 CG2 VAL A 12 -5.460 -1.357 -15.751 1.00 0.00 C ATOM 0 H VAL A 12 -3.340 0.103 -13.171 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.682 -2.689 -14.182 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.625 -0.229 -15.829 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.762 -1.851 -17.750 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.262 -2.042 -16.811 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.601 -3.194 -16.593 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.794 -1.077 -16.750 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.774 -2.379 -15.536 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.900 -0.681 -15.019 1.00 0.00 H new ATOM 215 N ASP A 13 -1.329 -0.405 -14.628 1.00 0.00 N ATOM 216 CA ASP A 13 0.103 -0.186 -14.776 1.00 0.00 C ATOM 217 C ASP A 13 0.535 1.104 -14.075 1.00 0.00 C ATOM 218 O ASP A 13 1.608 1.643 -14.340 1.00 0.00 O ATOM 219 CB ASP A 13 0.449 -0.192 -16.279 1.00 0.00 C ATOM 220 CG ASP A 13 1.618 -1.120 -16.608 1.00 0.00 C ATOM 221 OD1 ASP A 13 2.541 -1.274 -15.778 1.00 0.00 O ATOM 222 OD2 ASP A 13 1.559 -1.732 -17.699 1.00 0.00 O ATOM 0 H ASP A 13 -1.892 0.385 -14.943 1.00 0.00 H new ATOM 0 HA ASP A 13 0.659 -0.989 -14.292 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.427 -0.501 -16.849 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.694 0.822 -16.596 1.00 0.00 H new ATOM 227 N LYS A 14 -0.333 1.657 -13.218 1.00 0.00 N ATOM 228 CA LYS A 14 -0.075 2.851 -12.426 1.00 0.00 C ATOM 229 C LYS A 14 -0.839 2.740 -11.116 1.00 0.00 C ATOM 230 O LYS A 14 -1.696 1.857 -10.960 1.00 0.00 O ATOM 231 CB LYS A 14 -0.461 4.122 -13.205 1.00 0.00 C ATOM 232 CG LYS A 14 -1.918 4.146 -13.719 1.00 0.00 C ATOM 233 CD LYS A 14 -2.266 5.401 -14.521 1.00 0.00 C ATOM 234 CE LYS A 14 -2.143 6.663 -13.665 1.00 0.00 C ATOM 235 NZ LYS A 14 -2.496 7.904 -14.383 1.00 0.00 N ATOM 0 H LYS A 14 -1.262 1.268 -13.057 1.00 0.00 H new ATOM 0 HA LYS A 14 0.991 2.929 -12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.302 4.988 -12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.212 4.229 -14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.089 3.268 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.595 4.070 -12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.604 5.479 -15.383 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.282 5.318 -14.906 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.788 6.563 -12.792 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.120 6.744 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.390 8.717 -13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.866 8.023 -15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.481 7.847 -14.710 1.00 0.00 H new ATOM 249 N ILE A 15 -0.539 3.652 -10.196 1.00 0.00 N ATOM 250 CA ILE A 15 -1.284 3.799 -8.955 1.00 0.00 C ATOM 251 C ILE A 15 -2.706 4.197 -9.336 1.00 0.00 C ATOM 252 O ILE A 15 -2.911 5.109 -10.150 1.00 0.00 O ATOM 253 CB ILE A 15 -0.594 4.825 -8.030 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.731 4.214 -7.544 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.467 5.239 -6.833 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.677 5.235 -6.934 1.00 0.00 C ATOM 0 H ILE A 15 0.232 4.312 -10.293 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.314 2.869 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.418 5.737 -8.600 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.517 3.441 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.227 3.725 -8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.927 5.961 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.391 5.690 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.703 4.360 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.592 4.737 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.920 5.995 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.199 5.706 -6.075 1.00 0.00 H new ATOM 268 N SER A 16 -3.674 3.500 -8.750 1.00 0.00 N ATOM 269 CA SER A 16 -5.082 3.797 -8.907 1.00 0.00 C ATOM 270 C SER A 16 -5.413 5.135 -8.248 1.00 0.00 C ATOM 271 O SER A 16 -4.725 5.568 -7.322 1.00 0.00 O ATOM 272 CB SER A 16 -5.870 2.630 -8.298 1.00 0.00 C ATOM 273 OG SER A 16 -5.420 2.338 -6.988 1.00 0.00 O ATOM 0 H SER A 16 -3.492 2.700 -8.143 1.00 0.00 H new ATOM 0 HA SER A 16 -5.354 3.898 -9.958 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.931 2.877 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.762 1.747 -8.928 1.00 0.00 H new ATOM 0 HG SER A 16 -6.089 2.638 -6.338 1.00 0.00 H new ATOM 279 N ASN A 17 -6.521 5.751 -8.654 1.00 0.00 N ATOM 280 CA ASN A 17 -7.080 6.931 -7.997 1.00 0.00 C ATOM 281 C ASN A 17 -7.243 6.714 -6.493 1.00 0.00 C ATOM 282 O ASN A 17 -7.055 7.651 -5.722 1.00 0.00 O ATOM 283 CB ASN A 17 -8.435 7.275 -8.628 1.00 0.00 C ATOM 284 CG ASN A 17 -9.325 8.052 -7.671 1.00 0.00 C ATOM 285 OD1 ASN A 17 -10.131 7.460 -6.954 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.201 9.363 -7.624 1.00 0.00 N ATOM 0 H ASN A 17 -7.064 5.440 -9.460 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.386 7.759 -8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.276 7.862 -9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.939 6.357 -8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.780 9.907 -6.984 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.526 9.833 -8.227 1.00 0.00 H new ATOM 293 N SER A 18 -7.597 5.502 -6.070 1.00 0.00 N ATOM 294 CA SER A 18 -7.825 5.212 -4.669 1.00 0.00 C ATOM 295 C SER A 18 -7.694 3.716 -4.381 1.00 0.00 C ATOM 296 O SER A 18 -7.474 2.913 -5.295 1.00 0.00 O ATOM 297 CB SER A 18 -9.209 5.747 -4.288 1.00 0.00 C ATOM 298 OG SER A 18 -10.181 5.242 -5.185 1.00 0.00 O ATOM 0 H SER A 18 -7.731 4.703 -6.690 1.00 0.00 H new ATOM 0 HA SER A 18 -7.067 5.705 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.455 5.453 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.208 6.837 -4.314 1.00 0.00 H new ATOM 0 HG SER A 18 -10.324 5.886 -5.909 1.00 0.00 H new ATOM 304 N PHE A 19 -7.852 3.356 -3.107 1.00 0.00 N ATOM 305 CA PHE A 19 -8.041 2.011 -2.576 1.00 0.00 C ATOM 306 C PHE A 19 -9.453 1.467 -2.881 1.00 0.00 C ATOM 307 O PHE A 19 -9.709 0.284 -2.657 1.00 0.00 O ATOM 308 CB PHE A 19 -7.793 2.098 -1.058 1.00 0.00 C ATOM 309 CG PHE A 19 -7.686 0.795 -0.281 1.00 0.00 C ATOM 310 CD1 PHE A 19 -8.850 0.171 0.201 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.428 0.240 0.029 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.772 -1.010 0.958 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.347 -0.941 0.795 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.518 -1.567 1.259 1.00 0.00 C ATOM 0 H PHE A 19 -7.851 4.054 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.347 1.315 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.871 2.658 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.601 2.684 -0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.816 0.605 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.526 0.720 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.675 -1.489 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.382 -1.367 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.453 -2.472 1.844 1.00 0.00 H new ATOM 324 N GLU A 20 -10.388 2.291 -3.377 1.00 0.00 N ATOM 325 CA GLU A 20 -11.725 1.854 -3.746 1.00 0.00 C ATOM 326 C GLU A 20 -11.937 1.819 -5.267 1.00 0.00 C ATOM 327 O GLU A 20 -12.930 1.253 -5.719 1.00 0.00 O ATOM 328 CB GLU A 20 -12.777 2.722 -3.031 1.00 0.00 C ATOM 329 CG GLU A 20 -13.931 1.820 -2.586 1.00 0.00 C ATOM 330 CD GLU A 20 -15.291 2.495 -2.405 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.360 3.735 -2.267 1.00 0.00 O ATOM 332 OE2 GLU A 20 -16.307 1.774 -2.296 1.00 0.00 O ATOM 0 H GLU A 20 -10.227 3.286 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.845 0.823 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.333 3.222 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.142 3.502 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.041 1.020 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.654 1.351 -1.642 1.00 0.00 H new ATOM 339 N ASP A 21 -11.005 2.363 -6.057 1.00 0.00 N ATOM 340 CA ASP A 21 -10.959 2.236 -7.525 1.00 0.00 C ATOM 341 C ASP A 21 -9.694 1.480 -7.958 1.00 0.00 C ATOM 342 O ASP A 21 -9.347 1.433 -9.140 1.00 0.00 O ATOM 343 CB ASP A 21 -11.068 3.628 -8.183 1.00 0.00 C ATOM 344 CG ASP A 21 -11.055 3.610 -9.721 1.00 0.00 C ATOM 345 OD1 ASP A 21 -11.728 2.763 -10.346 1.00 0.00 O ATOM 346 OD2 ASP A 21 -10.369 4.464 -10.342 1.00 0.00 O ATOM 0 H ASP A 21 -10.237 2.922 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.813 1.650 -7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.989 4.104 -7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.242 4.247 -7.833 1.00 0.00 H new ATOM 351 N CYS A 22 -8.965 0.885 -7.008 1.00 0.00 N ATOM 352 CA CYS A 22 -7.894 -0.035 -7.339 1.00 0.00 C ATOM 353 C CYS A 22 -8.472 -1.328 -7.905 1.00 0.00 C ATOM 354 O CYS A 22 -9.652 -1.642 -7.765 1.00 0.00 O ATOM 355 CB CYS A 22 -6.994 -0.305 -6.126 1.00 0.00 C ATOM 356 SG CYS A 22 -7.915 -1.141 -4.822 1.00 0.00 S ATOM 0 H CYS A 22 -9.104 1.030 -6.008 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.267 0.424 -8.103 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.144 -0.917 -6.427 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.592 0.635 -5.749 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.101 -1.863 -4.110 1.00 0.00 H new ATOM 362 N LYS A 23 -7.592 -2.094 -8.531 1.00 0.00 N ATOM 363 CA LYS A 23 -7.854 -3.393 -9.124 1.00 0.00 C ATOM 364 C LYS A 23 -6.980 -4.446 -8.468 1.00 0.00 C ATOM 365 O LYS A 23 -7.326 -5.621 -8.511 1.00 0.00 O ATOM 366 CB LYS A 23 -7.545 -3.336 -10.619 1.00 0.00 C ATOM 367 CG LYS A 23 -8.627 -2.659 -11.471 1.00 0.00 C ATOM 368 CD LYS A 23 -8.738 -1.139 -11.422 1.00 0.00 C ATOM 369 CE LYS A 23 -10.077 -0.669 -11.994 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.249 0.781 -11.769 1.00 0.00 N ATOM 0 H LYS A 23 -6.620 -1.807 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.902 -3.653 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.604 -2.805 -10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.396 -4.352 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.462 -2.947 -12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.591 -3.073 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.638 -0.796 -10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.920 -0.693 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.121 -0.886 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.894 -1.217 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.112 1.107 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.329 0.967 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.427 1.291 -12.150 1.00 0.00 H new ATOM 384 N TYR A 24 -5.869 -4.058 -7.839 1.00 0.00 N ATOM 385 CA TYR A 24 -5.094 -4.935 -6.988 1.00 0.00 C ATOM 386 C TYR A 24 -4.232 -4.123 -6.032 1.00 0.00 C ATOM 387 O TYR A 24 -4.184 -2.891 -6.082 1.00 0.00 O ATOM 388 CB TYR A 24 -4.251 -5.904 -7.833 1.00 0.00 C ATOM 389 CG TYR A 24 -3.145 -5.282 -8.646 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.439 -4.753 -9.910 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.822 -5.302 -8.174 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.402 -4.285 -10.731 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.775 -4.875 -9.004 1.00 0.00 C ATOM 394 CZ TYR A 24 -1.058 -4.402 -10.311 1.00 0.00 C ATOM 395 OH TYR A 24 -0.059 -4.063 -11.174 1.00 0.00 O ATOM 0 H TYR A 24 -5.486 -3.115 -7.913 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.777 -5.536 -6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.812 -6.647 -7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.917 -6.437 -8.511 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.462 -4.706 -10.252 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.611 -5.646 -7.172 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.631 -3.835 -11.685 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.244 -4.906 -8.649 1.00 0.00 H new ATOM 0 HH TYR A 24 0.656 -3.607 -10.683 1.00 0.00 H new ATOM 405 N PHE A 25 -3.545 -4.852 -5.165 1.00 0.00 N ATOM 406 CA PHE A 25 -2.669 -4.391 -4.119 1.00 0.00 C ATOM 407 C PHE A 25 -1.333 -5.069 -4.356 1.00 0.00 C ATOM 408 O PHE A 25 -1.229 -6.297 -4.267 1.00 0.00 O ATOM 409 CB PHE A 25 -3.268 -4.761 -2.762 1.00 0.00 C ATOM 410 CG PHE A 25 -4.676 -4.243 -2.577 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.885 -2.858 -2.509 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.772 -5.125 -2.529 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.179 -2.352 -2.311 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.072 -4.617 -2.359 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.273 -3.232 -2.230 1.00 0.00 C ATOM 0 H PHE A 25 -3.597 -5.870 -5.185 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.541 -3.309 -4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.269 -5.846 -2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.633 -4.363 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.050 -2.180 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.615 -6.189 -2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.335 -1.287 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.916 -5.291 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.268 -2.843 -2.069 1.00 0.00 H new ATOM 425 N LEU A 26 -0.328 -4.292 -4.746 1.00 0.00 N ATOM 426 CA LEU A 26 1.015 -4.812 -4.937 1.00 0.00 C ATOM 427 C LEU A 26 1.679 -4.948 -3.571 1.00 0.00 C ATOM 428 O LEU A 26 1.935 -3.931 -2.924 1.00 0.00 O ATOM 429 CB LEU A 26 1.821 -3.920 -5.898 1.00 0.00 C ATOM 430 CG LEU A 26 3.087 -4.637 -6.395 1.00 0.00 C ATOM 431 CD1 LEU A 26 2.792 -5.818 -7.330 1.00 0.00 C ATOM 432 CD2 LEU A 26 3.959 -3.692 -7.207 1.00 0.00 C ATOM 0 H LEU A 26 -0.423 -3.294 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 26 0.975 -5.796 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.199 -3.644 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.099 -2.995 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 26 3.577 -4.989 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.730 -6.278 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.184 -6.555 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.253 -5.461 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.849 -4.221 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.399 -3.330 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.255 -2.846 -6.586 1.00 0.00 H new ATOM 444 N ILE A 27 1.910 -6.183 -3.109 1.00 0.00 N ATOM 445 CA ILE A 27 2.558 -6.445 -1.824 1.00 0.00 C ATOM 446 C ILE A 27 4.065 -6.392 -2.048 1.00 0.00 C ATOM 447 O ILE A 27 4.699 -7.364 -2.465 1.00 0.00 O ATOM 448 CB ILE A 27 2.077 -7.728 -1.104 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.547 -7.927 -1.206 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.530 -7.720 0.366 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.304 -6.749 -0.704 1.00 0.00 C ATOM 0 H ILE A 27 1.651 -7.028 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 27 2.262 -5.669 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 27 2.538 -8.574 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.291 -8.121 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.275 -8.818 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.184 -8.629 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.618 -7.675 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.109 -6.851 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.361 -6.989 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.086 -6.565 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.069 -5.857 -1.285 1.00 0.00 H new ATOM 463 N VAL A 28 4.622 -5.214 -1.816 1.00 0.00 N ATOM 464 CA VAL A 28 6.043 -4.929 -1.777 1.00 0.00 C ATOM 465 C VAL A 28 6.676 -5.826 -0.697 1.00 0.00 C ATOM 466 O VAL A 28 6.042 -6.148 0.312 1.00 0.00 O ATOM 467 CB VAL A 28 6.196 -3.414 -1.493 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.635 -2.912 -1.608 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.373 -2.558 -2.474 1.00 0.00 C ATOM 0 H VAL A 28 4.058 -4.383 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 28 6.557 -5.146 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 28 5.843 -3.306 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.666 -1.843 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.264 -3.442 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.004 -3.092 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.509 -1.502 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.709 -2.749 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.318 -2.816 -2.385 1.00 0.00 H new ATOM 479 N ARG A 29 7.930 -6.229 -0.899 1.00 0.00 N ATOM 480 CA ARG A 29 8.788 -6.879 0.080 1.00 0.00 C ATOM 481 C ARG A 29 10.131 -6.169 -0.015 1.00 0.00 C ATOM 482 O ARG A 29 11.011 -6.587 -0.777 1.00 0.00 O ATOM 483 CB ARG A 29 8.910 -8.389 -0.174 1.00 0.00 C ATOM 484 CG ARG A 29 9.751 -9.059 0.927 1.00 0.00 C ATOM 485 CD ARG A 29 10.559 -10.245 0.391 1.00 0.00 C ATOM 486 NE ARG A 29 11.481 -10.717 1.428 1.00 0.00 N ATOM 487 CZ ARG A 29 12.158 -11.861 1.512 1.00 0.00 C ATOM 488 NH1 ARG A 29 12.156 -12.709 0.494 1.00 0.00 N ATOM 489 NH2 ARG A 29 12.835 -12.139 2.620 1.00 0.00 N ATOM 0 H ARG A 29 8.395 -6.102 -1.798 1.00 0.00 H new ATOM 0 HA ARG A 29 8.373 -6.801 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.918 -8.839 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.370 -8.563 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.430 -8.325 1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.095 -9.400 1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.888 -11.050 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.116 -9.948 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 29 11.626 -10.071 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.636 -12.486 -0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.675 -13.585 0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.834 -11.479 3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.356 -13.013 2.693 1.00 0.00 H new ATOM 503 N ILE A 30 10.260 -5.080 0.729 1.00 0.00 N ATOM 504 CA ILE A 30 11.540 -4.441 0.971 1.00 0.00 C ATOM 505 C ILE A 30 12.180 -5.262 2.084 1.00 0.00 C ATOM 506 O ILE A 30 11.521 -5.547 3.084 1.00 0.00 O ATOM 507 CB ILE A 30 11.329 -2.960 1.341 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.970 -2.116 0.104 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.526 -2.335 2.080 1.00 0.00 C ATOM 510 CD1 ILE A 30 10.005 -1.003 0.523 1.00 0.00 C ATOM 0 H ILE A 30 9.474 -4.615 1.183 1.00 0.00 H new ATOM 0 HA ILE A 30 12.191 -4.421 0.097 1.00 0.00 H new ATOM 0 HB ILE A 30 10.489 -2.951 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.871 -1.688 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.512 -2.744 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.308 -1.292 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.706 -2.880 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.413 -2.390 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.745 -0.400 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.101 -1.444 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.481 -0.372 1.273 1.00 0.00 H new ATOM 522 N ASP A 31 13.434 -5.679 1.931 1.00 0.00 N ATOM 523 CA ASP A 31 14.043 -6.564 2.938 1.00 0.00 C ATOM 524 C ASP A 31 15.518 -6.296 3.204 1.00 0.00 C ATOM 525 O ASP A 31 16.144 -6.976 4.011 1.00 0.00 O ATOM 526 CB ASP A 31 13.783 -8.036 2.584 1.00 0.00 C ATOM 527 CG ASP A 31 13.269 -8.792 3.808 1.00 0.00 C ATOM 528 OD1 ASP A 31 13.879 -8.727 4.889 1.00 0.00 O ATOM 529 OD2 ASP A 31 12.217 -9.458 3.690 1.00 0.00 O ATOM 0 H ASP A 31 14.038 -5.432 1.147 1.00 0.00 H new ATOM 0 HA ASP A 31 13.550 -6.333 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.054 -8.100 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.701 -8.498 2.222 1.00 0.00 H new ATOM 534 N ASP A 32 16.071 -5.292 2.535 1.00 0.00 N ATOM 535 CA ASP A 32 17.297 -4.623 2.952 1.00 0.00 C ATOM 536 C ASP A 32 17.277 -3.245 2.314 1.00 0.00 C ATOM 537 O ASP A 32 18.040 -2.958 1.402 1.00 0.00 O ATOM 538 CB ASP A 32 18.549 -5.435 2.581 1.00 0.00 C ATOM 539 CG ASP A 32 19.750 -5.017 3.429 1.00 0.00 C ATOM 540 OD1 ASP A 32 20.005 -3.812 3.666 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.429 -5.924 3.957 1.00 0.00 O ATOM 0 H ASP A 32 15.674 -4.914 1.675 1.00 0.00 H new ATOM 0 HA ASP A 32 17.343 -4.532 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.352 -6.498 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.779 -5.292 1.525 1.00 0.00 H new ATOM 546 N ASN A 33 16.308 -2.414 2.710 1.00 0.00 N ATOM 547 CA ASN A 33 16.022 -1.097 2.111 1.00 0.00 C ATOM 548 C ASN A 33 15.769 -1.130 0.593 1.00 0.00 C ATOM 549 O ASN A 33 15.710 -0.088 -0.053 1.00 0.00 O ATOM 550 CB ASN A 33 17.134 -0.091 2.465 1.00 0.00 C ATOM 551 CG ASN A 33 16.588 1.244 2.941 1.00 0.00 C ATOM 552 OD1 ASN A 33 16.882 2.285 2.371 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.818 1.225 4.020 1.00 0.00 N ATOM 0 H ASN A 33 15.679 -2.642 3.480 1.00 0.00 H new ATOM 0 HA ASN A 33 15.080 -0.769 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.769 -0.517 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.764 0.070 1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.451 2.097 4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.593 0.338 4.470 1.00 0.00 H new ATOM 560 N GLU A 34 15.616 -2.324 0.019 1.00 0.00 N ATOM 561 CA GLU A 34 15.556 -2.595 -1.404 1.00 0.00 C ATOM 562 C GLU A 34 14.465 -3.621 -1.661 1.00 0.00 C ATOM 563 O GLU A 34 14.226 -4.498 -0.820 1.00 0.00 O ATOM 564 CB GLU A 34 16.886 -3.193 -1.869 1.00 0.00 C ATOM 565 CG GLU A 34 18.038 -2.188 -1.841 1.00 0.00 C ATOM 566 CD GLU A 34 19.332 -2.855 -2.294 1.00 0.00 C ATOM 567 OE1 GLU A 34 19.695 -3.929 -1.772 1.00 0.00 O ATOM 568 OE2 GLU A 34 19.978 -2.319 -3.226 1.00 0.00 O ATOM 0 H GLU A 34 15.526 -3.174 0.575 1.00 0.00 H new ATOM 0 HA GLU A 34 15.353 -1.668 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.137 -4.042 -1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.771 -3.576 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.809 -1.344 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.159 -1.791 -0.833 1.00 0.00 H new ATOM 575 N VAL A 35 13.871 -3.531 -2.849 1.00 0.00 N ATOM 576 CA VAL A 35 12.877 -4.426 -3.425 1.00 0.00 C ATOM 577 C VAL A 35 13.502 -5.822 -3.558 1.00 0.00 C ATOM 578 O VAL A 35 14.191 -6.121 -4.535 1.00 0.00 O ATOM 579 CB VAL A 35 12.433 -3.819 -4.783 1.00 0.00 C ATOM 580 CG1 VAL A 35 11.480 -4.694 -5.616 1.00 0.00 C ATOM 581 CG2 VAL A 35 11.749 -2.455 -4.582 1.00 0.00 C ATOM 0 H VAL A 35 14.093 -2.765 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 35 11.990 -4.532 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 35 13.366 -3.731 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.231 -4.179 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.965 -5.643 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.568 -4.881 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.448 -2.053 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.869 -2.579 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.445 -1.766 -4.103 1.00 0.00 H new ATOM 591 N LYS A 36 13.284 -6.702 -2.577 1.00 0.00 N ATOM 592 CA LYS A 36 13.789 -8.073 -2.656 1.00 0.00 C ATOM 593 C LYS A 36 12.777 -8.988 -3.350 1.00 0.00 C ATOM 594 O LYS A 36 13.179 -9.976 -3.963 1.00 0.00 O ATOM 595 CB LYS A 36 14.221 -8.602 -1.275 1.00 0.00 C ATOM 596 CG LYS A 36 15.329 -7.826 -0.535 1.00 0.00 C ATOM 597 CD LYS A 36 16.393 -7.186 -1.432 1.00 0.00 C ATOM 598 CE LYS A 36 17.608 -6.710 -0.634 1.00 0.00 C ATOM 599 NZ LYS A 36 18.607 -7.779 -0.422 1.00 0.00 N ATOM 0 H LYS A 36 12.765 -6.491 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 36 14.688 -8.068 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.341 -8.627 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.555 -9.632 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.863 -7.043 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.824 -8.506 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.714 -7.907 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.957 -6.341 -1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.078 -5.878 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.277 -6.331 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.408 -7.402 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.170 -8.564 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.947 -8.124 -1.342 1.00 0.00 H new ATOM 613 N SER A 37 11.477 -8.689 -3.297 1.00 0.00 N ATOM 614 CA SER A 37 10.458 -9.417 -4.050 1.00 0.00 C ATOM 615 C SER A 37 9.179 -8.577 -4.134 1.00 0.00 C ATOM 616 O SER A 37 9.137 -7.480 -3.577 1.00 0.00 O ATOM 617 CB SER A 37 10.211 -10.780 -3.380 1.00 0.00 C ATOM 618 OG SER A 37 10.158 -11.812 -4.347 1.00 0.00 O ATOM 0 H SER A 37 11.102 -7.931 -2.727 1.00 0.00 H new ATOM 0 HA SER A 37 10.797 -9.600 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.005 -10.987 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.276 -10.751 -2.820 1.00 0.00 H new ATOM 0 HG SER A 37 10.002 -12.671 -3.901 1.00 0.00 H new ATOM 624 N THR A 38 8.139 -9.068 -4.806 1.00 0.00 N ATOM 625 CA THR A 38 6.823 -8.435 -4.918 1.00 0.00 C ATOM 626 C THR A 38 5.722 -9.513 -4.826 1.00 0.00 C ATOM 627 O THR A 38 6.014 -10.700 -4.657 1.00 0.00 O ATOM 628 CB THR A 38 6.749 -7.589 -6.215 1.00 0.00 C ATOM 629 OG1 THR A 38 7.383 -8.217 -7.327 1.00 0.00 O ATOM 630 CG2 THR A 38 7.392 -6.219 -5.983 1.00 0.00 C ATOM 0 H THR A 38 8.191 -9.954 -5.308 1.00 0.00 H new ATOM 0 HA THR A 38 6.661 -7.744 -4.091 1.00 0.00 H new ATOM 0 HB THR A 38 5.691 -7.483 -6.456 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.305 -7.641 -8.116 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.336 -5.631 -6.899 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.862 -5.699 -5.185 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.436 -6.350 -5.700 1.00 0.00 H new ATOM 638 N LYS A 39 4.447 -9.116 -4.878 1.00 0.00 N ATOM 639 CA LYS A 39 3.257 -9.972 -4.868 1.00 0.00 C ATOM 640 C LYS A 39 2.109 -9.146 -5.429 1.00 0.00 C ATOM 641 O LYS A 39 2.171 -7.923 -5.341 1.00 0.00 O ATOM 642 CB LYS A 39 2.883 -10.325 -3.418 1.00 0.00 C ATOM 643 CG LYS A 39 2.686 -11.799 -3.074 1.00 0.00 C ATOM 644 CD LYS A 39 3.992 -12.475 -2.647 1.00 0.00 C ATOM 645 CE LYS A 39 4.625 -13.383 -3.707 1.00 0.00 C ATOM 646 NZ LYS A 39 3.729 -14.498 -4.082 1.00 0.00 N ATOM 0 H LYS A 39 4.203 -8.127 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 39 3.445 -10.880 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.661 -9.930 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.962 -9.797 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.954 -11.888 -2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.275 -12.320 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.711 -11.703 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.802 -13.065 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.864 -12.795 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.565 -13.784 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.289 -15.266 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.241 -14.852 -3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.026 -14.162 -4.771 1.00 0.00 H new ATOM 660 N VAL A 40 1.016 -9.771 -5.848 1.00 0.00 N ATOM 661 CA VAL A 40 -0.233 -9.105 -6.215 1.00 0.00 C ATOM 662 C VAL A 40 -1.336 -9.737 -5.345 1.00 0.00 C ATOM 663 O VAL A 40 -1.312 -10.944 -5.074 1.00 0.00 O ATOM 664 CB VAL A 40 -0.420 -9.262 -7.744 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.843 -8.953 -8.225 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.555 -8.325 -8.492 1.00 0.00 C ATOM 0 H VAL A 40 0.970 -10.785 -5.946 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.252 -8.032 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.217 -10.310 -7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.898 -9.084 -9.306 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.546 -9.631 -7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.098 -7.924 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.418 -8.441 -9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.355 -7.291 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.581 -8.581 -8.227 1.00 0.00 H new ATOM 676 N ILE A 41 -2.299 -8.935 -4.888 1.00 0.00 N ATOM 677 CA ILE A 41 -3.567 -9.345 -4.287 1.00 0.00 C ATOM 678 C ILE A 41 -4.640 -8.579 -5.065 1.00 0.00 C ATOM 679 O ILE A 41 -4.694 -7.360 -4.929 1.00 0.00 O ATOM 680 CB ILE A 41 -3.594 -9.036 -2.765 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.595 -9.908 -1.975 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.003 -9.248 -2.190 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.652 -9.733 -0.445 1.00 0.00 C ATOM 0 H ILE A 41 -2.208 -7.920 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.731 -10.421 -4.353 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.302 -7.992 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.781 -10.955 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.585 -9.678 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.998 -9.026 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.706 -8.585 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.307 -10.284 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.915 -10.385 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.434 -8.696 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.648 -9.994 -0.086 1.00 0.00 H new ATOM 695 N PHE A 42 -5.446 -9.240 -5.902 1.00 0.00 N ATOM 696 CA PHE A 42 -6.513 -8.570 -6.655 1.00 0.00 C ATOM 697 C PHE A 42 -7.520 -7.918 -5.700 1.00 0.00 C ATOM 698 O PHE A 42 -7.845 -8.515 -4.671 1.00 0.00 O ATOM 699 CB PHE A 42 -7.228 -9.573 -7.565 1.00 0.00 C ATOM 700 CG PHE A 42 -6.397 -10.051 -8.738 1.00 0.00 C ATOM 701 CD1 PHE A 42 -6.092 -9.157 -9.782 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.943 -11.383 -8.805 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.362 -9.599 -10.896 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.200 -11.819 -9.918 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.920 -10.930 -10.970 1.00 0.00 C ATOM 0 H PHE A 42 -5.380 -10.243 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.063 -7.791 -7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.527 -10.436 -6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.142 -9.115 -7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.420 -8.130 -9.725 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.165 -12.070 -8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.139 -8.913 -11.700 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.845 -12.838 -9.964 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.366 -11.270 -11.833 1.00 0.00 H new ATOM 715 N ASN A 43 -8.038 -6.733 -6.045 1.00 0.00 N ATOM 716 CA ASN A 43 -9.071 -6.000 -5.308 1.00 0.00 C ATOM 717 C ASN A 43 -10.430 -6.628 -5.603 1.00 0.00 C ATOM 718 O ASN A 43 -11.313 -6.045 -6.239 1.00 0.00 O ATOM 719 CB ASN A 43 -9.079 -4.496 -5.630 1.00 0.00 C ATOM 720 CG ASN A 43 -10.203 -3.780 -4.872 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.546 -4.169 -3.754 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.802 -2.756 -5.459 1.00 0.00 N ATOM 0 H ASN A 43 -7.734 -6.238 -6.883 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.847 -6.078 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.118 -4.058 -5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.208 -4.350 -6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.564 -2.271 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.501 -2.452 -6.385 1.00 0.00 H new ATOM 729 N ASP A 44 -10.581 -7.867 -5.157 1.00 0.00 N ATOM 730 CA ASP A 44 -11.813 -8.616 -5.282 1.00 0.00 C ATOM 731 C ASP A 44 -11.889 -9.496 -4.062 1.00 0.00 C ATOM 732 O ASP A 44 -11.259 -10.548 -4.020 1.00 0.00 O ATOM 733 CB ASP A 44 -11.853 -9.426 -6.582 1.00 0.00 C ATOM 734 CG ASP A 44 -12.771 -8.760 -7.591 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.978 -8.598 -7.304 1.00 0.00 O ATOM 736 OD2 ASP A 44 -12.279 -8.352 -8.669 1.00 0.00 O ATOM 0 H ASP A 44 -9.836 -8.384 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.676 -7.953 -5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.848 -9.512 -6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.201 -10.438 -6.377 1.00 0.00 H new ATOM 741 N GLU A 45 -12.598 -9.000 -3.051 1.00 0.00 N ATOM 742 CA GLU A 45 -13.236 -9.695 -1.943 1.00 0.00 C ATOM 743 C GLU A 45 -12.325 -10.642 -1.144 1.00 0.00 C ATOM 744 O GLU A 45 -11.941 -10.303 -0.025 1.00 0.00 O ATOM 745 CB GLU A 45 -14.539 -10.321 -2.482 1.00 0.00 C ATOM 746 CG GLU A 45 -15.560 -10.685 -1.405 1.00 0.00 C ATOM 747 CD GLU A 45 -16.241 -9.479 -0.743 1.00 0.00 C ATOM 748 OE1 GLU A 45 -15.558 -8.503 -0.354 1.00 0.00 O ATOM 749 OE2 GLU A 45 -17.460 -9.564 -0.469 1.00 0.00 O ATOM 0 H GLU A 45 -12.754 -7.994 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.482 -8.976 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.000 -9.623 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.289 -11.219 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.326 -11.321 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.063 -11.274 -0.634 1.00 0.00 H new ATOM 756 N SER A 46 -11.910 -11.767 -1.731 1.00 0.00 N ATOM 757 CA SER A 46 -10.726 -12.548 -1.378 1.00 0.00 C ATOM 758 C SER A 46 -9.513 -11.634 -1.160 1.00 0.00 C ATOM 759 O SER A 46 -8.690 -11.906 -0.287 1.00 0.00 O ATOM 760 CB SER A 46 -10.507 -13.569 -2.513 1.00 0.00 C ATOM 761 OG SER A 46 -9.169 -13.957 -2.778 1.00 0.00 O ATOM 0 H SER A 46 -12.422 -12.180 -2.510 1.00 0.00 H new ATOM 0 HA SER A 46 -10.864 -13.076 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.080 -14.466 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.927 -13.153 -3.429 1.00 0.00 H new ATOM 0 HG SER A 46 -9.156 -14.605 -3.513 1.00 0.00 H new ATOM 767 N GLY A 47 -9.418 -10.529 -1.895 1.00 0.00 N ATOM 768 CA GLY A 47 -8.347 -9.569 -1.775 1.00 0.00 C ATOM 769 C GLY A 47 -8.277 -8.992 -0.376 1.00 0.00 C ATOM 770 O GLY A 47 -7.326 -9.233 0.361 1.00 0.00 O ATOM 0 H GLY A 47 -10.106 -10.279 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.399 -10.047 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.495 -8.764 -2.495 1.00 0.00 H new ATOM 774 N LYS A 48 -9.300 -8.223 -0.005 1.00 0.00 N ATOM 775 CA LYS A 48 -9.332 -7.523 1.274 1.00 0.00 C ATOM 776 C LYS A 48 -9.441 -8.510 2.440 1.00 0.00 C ATOM 777 O LYS A 48 -8.862 -8.239 3.486 1.00 0.00 O ATOM 778 CB LYS A 48 -10.447 -6.468 1.235 1.00 0.00 C ATOM 779 CG LYS A 48 -10.022 -5.259 0.375 1.00 0.00 C ATOM 780 CD LYS A 48 -11.186 -4.626 -0.393 1.00 0.00 C ATOM 781 CE LYS A 48 -12.210 -3.941 0.519 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.366 -3.463 -0.266 1.00 0.00 N ATOM 0 H LYS A 48 -10.127 -8.069 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.394 -6.994 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.357 -6.908 0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.678 -6.137 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.567 -4.506 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.257 -5.576 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.792 -3.895 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.688 -5.396 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.547 -4.639 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.742 -3.103 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.049 -3.002 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.042 -2.781 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.822 -4.269 -0.739 1.00 0.00 H new ATOM 796 N LYS A 49 -10.022 -9.703 2.248 1.00 0.00 N ATOM 797 CA LYS A 49 -9.868 -10.822 3.186 1.00 0.00 C ATOM 798 C LYS A 49 -8.390 -11.097 3.458 1.00 0.00 C ATOM 799 O LYS A 49 -7.994 -11.208 4.614 1.00 0.00 O ATOM 800 CB LYS A 49 -10.498 -12.097 2.611 1.00 0.00 C ATOM 801 CG LYS A 49 -11.980 -12.316 2.933 1.00 0.00 C ATOM 802 CD LYS A 49 -12.518 -13.325 1.907 1.00 0.00 C ATOM 803 CE LYS A 49 -13.834 -13.996 2.280 1.00 0.00 C ATOM 804 NZ LYS A 49 -13.711 -15.002 3.350 1.00 0.00 N ATOM 0 H LYS A 49 -10.609 -9.918 1.442 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.369 -10.546 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.380 -12.080 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.936 -12.955 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.102 -12.695 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.530 -11.377 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.648 -12.814 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.766 -14.099 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.544 -13.231 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.251 -14.473 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.645 -15.414 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.059 -15.753 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.342 -14.550 4.211 1.00 0.00 H new ATOM 818 N SER A 50 -7.583 -11.251 2.411 1.00 0.00 N ATOM 819 CA SER A 50 -6.188 -11.651 2.537 1.00 0.00 C ATOM 820 C SER A 50 -5.320 -10.537 3.145 1.00 0.00 C ATOM 821 O SER A 50 -4.280 -10.838 3.727 1.00 0.00 O ATOM 822 CB SER A 50 -5.674 -12.116 1.170 1.00 0.00 C ATOM 823 OG SER A 50 -6.543 -13.108 0.645 1.00 0.00 O ATOM 0 H SER A 50 -7.882 -11.101 1.448 1.00 0.00 H new ATOM 0 HA SER A 50 -6.119 -12.485 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.616 -11.270 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.665 -12.517 1.267 1.00 0.00 H new ATOM 0 HG SER A 50 -7.345 -12.680 0.279 1.00 0.00 H new ATOM 829 N ILE A 51 -5.745 -9.269 3.098 1.00 0.00 N ATOM 830 CA ILE A 51 -5.116 -8.150 3.817 1.00 0.00 C ATOM 831 C ILE A 51 -5.332 -8.279 5.342 1.00 0.00 C ATOM 832 O ILE A 51 -4.683 -7.594 6.126 1.00 0.00 O ATOM 833 CB ILE A 51 -5.674 -6.816 3.267 1.00 0.00 C ATOM 834 CG1 ILE A 51 -5.297 -6.666 1.774 1.00 0.00 C ATOM 835 CG2 ILE A 51 -5.136 -5.617 4.059 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.720 -5.344 1.122 1.00 0.00 C ATOM 0 H ILE A 51 -6.554 -8.984 2.547 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.039 -8.171 3.652 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.759 -6.834 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.216 -6.771 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.748 -7.487 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.547 -4.695 3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.430 -5.710 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.049 -5.593 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.410 -5.338 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.804 -5.240 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.248 -4.513 1.645 1.00 0.00 H new ATOM 848 N VAL A 52 -6.200 -9.167 5.803 1.00 0.00 N ATOM 849 CA VAL A 52 -6.311 -9.521 7.220 1.00 0.00 C ATOM 850 C VAL A 52 -5.313 -10.623 7.595 1.00 0.00 C ATOM 851 O VAL A 52 -4.974 -10.741 8.769 1.00 0.00 O ATOM 852 CB VAL A 52 -7.765 -9.913 7.542 1.00 0.00 C ATOM 853 CG1 VAL A 52 -8.060 -10.072 9.043 1.00 0.00 C ATOM 854 CG2 VAL A 52 -8.726 -8.855 7.002 1.00 0.00 C ATOM 0 H VAL A 52 -6.855 -9.669 5.204 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.053 -8.654 7.829 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.907 -10.883 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.105 -10.349 9.181 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.421 -10.851 9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.864 -9.130 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.751 -9.142 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.505 -7.893 7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.609 -8.774 5.921 1.00 0.00 H new ATOM 864 N LYS A 53 -4.846 -11.441 6.645 1.00 0.00 N ATOM 865 CA LYS A 53 -4.016 -12.612 6.909 1.00 0.00 C ATOM 866 C LYS A 53 -2.621 -12.416 6.309 1.00 0.00 C ATOM 867 O LYS A 53 -2.133 -13.211 5.497 1.00 0.00 O ATOM 868 CB LYS A 53 -4.756 -13.888 6.453 1.00 0.00 C ATOM 869 CG LYS A 53 -5.575 -14.523 7.586 1.00 0.00 C ATOM 870 CD LYS A 53 -6.833 -13.773 8.053 1.00 0.00 C ATOM 871 CE LYS A 53 -7.672 -14.622 9.028 1.00 0.00 C ATOM 872 NZ LYS A 53 -6.992 -14.879 10.319 1.00 0.00 N ATOM 0 H LYS A 53 -5.041 -11.301 5.654 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.847 -12.740 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.418 -13.644 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.031 -14.612 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.876 -15.520 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.918 -14.649 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.542 -12.841 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.440 -13.506 7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.618 -14.115 9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.911 -15.575 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.609 -15.454 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.102 -15.389 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.787 -13.974 10.790 1.00 0.00 H new ATOM 886 N GLU A 54 -1.989 -11.299 6.646 1.00 0.00 N ATOM 887 CA GLU A 54 -0.715 -10.852 6.120 1.00 0.00 C ATOM 888 C GLU A 54 0.206 -10.319 7.228 1.00 0.00 C ATOM 889 O GLU A 54 -0.058 -10.473 8.422 1.00 0.00 O ATOM 890 CB GLU A 54 -1.019 -9.790 5.052 1.00 0.00 C ATOM 891 CG GLU A 54 -2.110 -8.797 5.460 1.00 0.00 C ATOM 892 CD GLU A 54 -1.950 -8.202 6.864 1.00 0.00 C ATOM 893 OE1 GLU A 54 -1.185 -7.231 7.015 1.00 0.00 O ATOM 894 OE2 GLU A 54 -2.546 -8.746 7.826 1.00 0.00 O ATOM 0 H GLU A 54 -2.376 -10.649 7.330 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.170 -11.685 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.105 -9.240 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.322 -10.290 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.128 -7.982 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.077 -9.297 5.401 1.00 0.00 H new ATOM 901 N ASN A 55 1.289 -9.664 6.810 1.00 0.00 N ATOM 902 CA ASN A 55 2.205 -8.900 7.644 1.00 0.00 C ATOM 903 C ASN A 55 2.455 -7.527 7.002 1.00 0.00 C ATOM 904 O ASN A 55 3.574 -7.026 7.088 1.00 0.00 O ATOM 905 CB ASN A 55 3.518 -9.678 7.845 1.00 0.00 C ATOM 906 CG ASN A 55 3.387 -10.892 8.744 1.00 0.00 C ATOM 907 OD1 ASN A 55 3.135 -11.998 8.267 1.00 0.00 O ATOM 908 ND2 ASN A 55 3.585 -10.720 10.038 1.00 0.00 N ATOM 0 H ASN A 55 1.562 -9.654 5.827 1.00 0.00 H new ATOM 0 HA ASN A 55 1.763 -8.744 8.628 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.891 -9.998 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.265 -9.006 8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.531 -11.517 10.673 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.792 -9.790 10.403 1.00 0.00 H new ATOM 915 N VAL A 56 1.487 -6.919 6.301 1.00 0.00 N ATOM 916 CA VAL A 56 1.689 -5.552 5.811 1.00 0.00 C ATOM 917 C VAL A 56 1.859 -4.661 7.047 1.00 0.00 C ATOM 918 O VAL A 56 1.195 -4.838 8.072 1.00 0.00 O ATOM 919 CB VAL A 56 0.516 -5.024 4.948 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.859 -3.797 4.117 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.012 -5.986 3.876 1.00 0.00 C ATOM 0 H VAL A 56 0.586 -7.336 6.067 1.00 0.00 H new ATOM 0 HA VAL A 56 2.564 -5.540 5.160 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.215 -4.839 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.015 -3.491 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.163 -2.984 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.676 -4.036 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.830 -5.513 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.790 -6.231 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.372 -6.899 4.351 1.00 0.00 H new ATOM 931 N ASN A 57 2.769 -3.706 6.938 1.00 0.00 N ATOM 932 CA ASN A 57 3.034 -2.693 7.946 1.00 0.00 C ATOM 933 C ASN A 57 2.195 -1.445 7.639 1.00 0.00 C ATOM 934 O ASN A 57 1.683 -0.788 8.542 1.00 0.00 O ATOM 935 CB ASN A 57 4.533 -2.354 7.922 1.00 0.00 C ATOM 936 CG ASN A 57 5.096 -2.108 9.303 1.00 0.00 C ATOM 937 OD1 ASN A 57 4.698 -1.187 10.001 1.00 0.00 O ATOM 938 ND2 ASN A 57 6.062 -2.921 9.686 1.00 0.00 N ATOM 0 H ASN A 57 3.365 -3.612 6.115 1.00 0.00 H new ATOM 0 HA ASN A 57 2.766 -3.060 8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.079 -3.172 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.692 -1.469 7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.506 -2.793 10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.365 -3.678 9.073 1.00 0.00 H new ATOM 945 N ALA A 58 2.036 -1.115 6.348 1.00 0.00 N ATOM 946 CA ALA A 58 1.430 0.129 5.888 1.00 0.00 C ATOM 947 C ALA A 58 0.864 -0.013 4.470 1.00 0.00 C ATOM 948 O ALA A 58 1.382 -0.780 3.659 1.00 0.00 O ATOM 949 CB ALA A 58 2.479 1.250 5.908 1.00 0.00 C ATOM 0 H ALA A 58 2.334 -1.723 5.585 1.00 0.00 H new ATOM 0 HA ALA A 58 0.607 0.372 6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.025 2.179 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.851 1.382 6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.307 0.985 5.250 1.00 0.00 H new ATOM 955 N ILE A 59 -0.169 0.755 4.144 1.00 0.00 N ATOM 956 CA ILE A 59 -0.664 0.995 2.793 1.00 0.00 C ATOM 957 C ILE A 59 -0.079 2.334 2.351 1.00 0.00 C ATOM 958 O ILE A 59 0.110 3.208 3.190 1.00 0.00 O ATOM 959 CB ILE A 59 -2.211 1.072 2.896 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.770 -0.331 3.197 1.00 0.00 C ATOM 961 CG2 ILE A 59 -2.883 1.674 1.649 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.179 -0.339 3.809 1.00 0.00 C ATOM 0 H ILE A 59 -0.712 1.252 4.850 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.386 0.220 2.079 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.447 1.755 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.786 -0.908 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.089 -0.841 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.963 1.696 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.517 2.689 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.645 1.064 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.492 -1.368 3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.169 0.206 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.877 0.139 3.121 1.00 0.00 H new ATOM 974 N ILE A 60 0.119 2.536 1.049 1.00 0.00 N ATOM 975 CA ILE A 60 0.284 3.843 0.432 1.00 0.00 C ATOM 976 C ILE A 60 -0.804 3.884 -0.650 1.00 0.00 C ATOM 977 O ILE A 60 -0.906 2.925 -1.422 1.00 0.00 O ATOM 978 CB ILE A 60 1.689 3.997 -0.165 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.810 3.472 0.739 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.920 5.472 -0.555 1.00 0.00 C ATOM 981 CD1 ILE A 60 4.111 3.365 -0.049 1.00 0.00 C ATOM 0 H ILE A 60 0.170 1.769 0.378 1.00 0.00 H new ATOM 0 HA ILE A 60 0.185 4.663 1.144 1.00 0.00 H new ATOM 0 HB ILE A 60 1.731 3.369 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.945 4.140 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.537 2.496 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.918 5.584 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.176 5.774 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.830 6.101 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.901 2.991 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.975 2.679 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.389 4.348 -0.428 1.00 0.00 H new ATOM 993 N CYS A 61 -1.619 4.936 -0.722 1.00 0.00 N ATOM 994 CA CYS A 61 -2.635 5.139 -1.757 1.00 0.00 C ATOM 995 C CYS A 61 -2.776 6.630 -2.054 1.00 0.00 C ATOM 996 O CYS A 61 -2.379 7.463 -1.243 1.00 0.00 O ATOM 997 CB CYS A 61 -3.975 4.523 -1.328 1.00 0.00 C ATOM 998 SG CYS A 61 -4.446 4.992 0.364 1.00 0.00 S ATOM 0 H CYS A 61 -1.590 5.695 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.322 4.634 -2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.755 4.840 -2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.910 3.437 -1.396 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.153 4.040 0.897 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.345 6.980 -3.208 1.00 0.00 N ATOM 1005 CA LYS A 62 -3.777 8.344 -3.485 1.00 0.00 C ATOM 1006 C LYS A 62 -4.931 8.687 -2.558 1.00 0.00 C ATOM 1007 O LYS A 62 -4.910 9.760 -1.970 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.220 8.501 -4.949 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.105 8.974 -5.885 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.663 9.176 -7.303 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.647 9.934 -8.157 1.00 0.00 C ATOM 1012 NZ LYS A 62 -3.175 10.283 -9.486 1.00 0.00 N ATOM 0 H LYS A 62 -3.517 6.327 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.940 9.022 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.602 7.545 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.046 9.211 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.680 9.907 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.298 8.241 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.885 8.210 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.600 9.731 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.349 10.845 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.750 9.326 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.670 9.738 -10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.190 10.058 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.039 11.300 -9.658 1.00 0.00 H new ATOM 1026 N ASN A 63 -5.934 7.821 -2.433 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.122 8.066 -1.630 1.00 0.00 C ATOM 1028 C ASN A 63 -7.693 6.718 -1.225 1.00 0.00 C ATOM 1029 O ASN A 63 -7.199 5.675 -1.658 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.141 8.921 -2.404 1.00 0.00 C ATOM 1031 CG ASN A 63 -7.770 10.396 -2.340 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -7.584 10.958 -1.262 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.565 11.027 -3.481 1.00 0.00 N ATOM 0 H ASN A 63 -5.941 6.913 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.871 8.634 -0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.180 8.596 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.137 8.774 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.247 11.996 -3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.724 10.545 -4.366 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.702 6.708 -0.364 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.204 5.512 0.291 1.00 0.00 C ATOM 1042 C ILE A 64 -10.537 5.898 0.924 1.00 0.00 C ATOM 1043 O ILE A 64 -10.569 6.842 1.709 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.157 4.982 1.307 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.767 3.859 2.170 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.507 6.090 2.164 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.733 3.106 3.014 1.00 0.00 C ATOM 0 H ILE A 64 -9.205 7.554 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.368 4.688 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.336 4.564 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.520 4.288 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.280 3.150 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.787 5.644 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.997 6.801 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.278 6.609 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.233 2.331 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.993 2.648 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.237 3.803 3.689 1.00 0.00 H new ATOM 1059 N SER A 65 -11.629 5.223 0.553 1.00 0.00 N ATOM 1060 CA SER A 65 -12.957 5.626 0.996 1.00 0.00 C ATOM 1061 C SER A 65 -12.998 5.667 2.514 1.00 0.00 C ATOM 1062 O SER A 65 -12.374 4.830 3.166 1.00 0.00 O ATOM 1063 CB SER A 65 -14.033 4.680 0.463 1.00 0.00 C ATOM 1064 OG SER A 65 -15.253 5.382 0.371 1.00 0.00 O ATOM 0 H SER A 65 -11.615 4.400 -0.050 1.00 0.00 H new ATOM 0 HA SER A 65 -13.164 6.620 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.745 4.294 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.141 3.821 1.125 1.00 0.00 H new ATOM 0 HG SER A 65 -15.727 5.109 -0.442 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.784 6.595 3.048 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.897 6.885 4.465 1.00 0.00 C ATOM 1072 C GLU A 66 -14.108 5.601 5.284 1.00 0.00 C ATOM 1073 O GLU A 66 -13.479 5.392 6.324 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.062 7.876 4.652 1.00 0.00 C ATOM 1075 CG GLU A 66 -14.860 8.749 5.891 1.00 0.00 C ATOM 1076 CD GLU A 66 -14.376 10.173 5.632 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -13.759 10.463 4.580 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -14.548 11.003 6.556 1.00 0.00 O ATOM 0 H GLU A 66 -14.384 7.189 2.477 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.972 7.330 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.148 8.509 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.999 7.326 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.804 8.800 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.142 8.256 6.546 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.985 4.713 4.804 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.252 3.435 5.444 1.00 0.00 C ATOM 1087 C GLU A 67 -14.038 2.505 5.402 1.00 0.00 C ATOM 1088 O GLU A 67 -13.667 1.950 6.435 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.464 2.754 4.796 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.241 1.988 5.866 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.258 1.026 5.263 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -19.433 1.414 5.074 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -17.885 -0.158 5.073 1.00 0.00 O ATOM 0 H GLU A 67 -15.529 4.868 3.955 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.472 3.639 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.106 3.499 4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.137 2.073 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.543 1.431 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.755 2.696 6.516 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.429 2.328 4.222 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.240 1.497 4.013 1.00 0.00 C ATOM 1102 C ASN A 68 -11.095 1.995 4.900 1.00 0.00 C ATOM 1103 O ASN A 68 -10.394 1.174 5.489 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.791 1.499 2.530 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.140 0.241 1.724 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.098 -0.887 2.211 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.403 0.394 0.432 1.00 0.00 N ATOM 0 H ASN A 68 -13.760 2.771 3.365 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.499 0.473 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.240 2.360 2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.711 1.640 2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.570 -0.423 -0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.438 1.329 0.026 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.913 3.317 5.018 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.902 3.937 5.866 1.00 0.00 C ATOM 1116 C TYR A 69 -10.125 3.518 7.314 1.00 0.00 C ATOM 1117 O TYR A 69 -9.286 2.826 7.896 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.898 5.471 5.716 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.776 6.121 6.507 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -8.946 6.440 7.869 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.530 6.348 5.896 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -7.861 6.918 8.624 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.446 6.839 6.640 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.599 7.094 8.018 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.513 7.418 8.774 1.00 0.00 O ATOM 0 H TYR A 69 -11.481 3.996 4.512 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.919 3.591 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.796 5.731 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.855 5.870 6.051 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.913 6.317 8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.406 6.142 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.994 7.151 9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.497 7.021 6.158 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.045 8.176 8.366 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.274 3.898 7.885 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.584 3.644 9.291 1.00 0.00 C ATOM 1137 C LYS A 70 -11.641 2.152 9.595 1.00 0.00 C ATOM 1138 O LYS A 70 -11.487 1.773 10.757 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.915 4.301 9.676 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.878 5.833 9.605 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.241 6.422 10.002 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.589 7.593 9.088 1.00 0.00 C ATOM 1143 NZ LYS A 70 -15.936 8.158 9.315 1.00 0.00 N ATOM 0 H LYS A 70 -12.013 4.390 7.383 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.780 4.081 9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.699 3.932 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.183 3.997 10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.102 6.215 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.618 6.150 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.012 5.655 9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.214 6.755 11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.848 8.381 9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.515 7.265 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.097 8.947 8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.653 7.422 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.007 8.503 10.294 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.859 1.297 8.594 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.767 -0.148 8.721 1.00 0.00 C ATOM 1159 C LYS A 71 -10.306 -0.570 8.841 1.00 0.00 C ATOM 1160 O LYS A 71 -9.934 -1.170 9.851 1.00 0.00 O ATOM 1161 CB LYS A 71 -12.487 -0.799 7.532 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.643 -2.317 7.694 1.00 0.00 C ATOM 1163 CD LYS A 71 -14.045 -2.750 7.258 1.00 0.00 C ATOM 1164 CE LYS A 71 -14.333 -4.203 7.642 1.00 0.00 C ATOM 1165 NZ LYS A 71 -13.859 -5.152 6.618 1.00 0.00 N ATOM 0 H LYS A 71 -12.110 1.603 7.654 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.261 -0.489 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.472 -0.347 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.932 -0.590 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.892 -2.834 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.473 -2.599 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.787 -2.098 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.143 -2.632 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.852 -4.428 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.405 -4.333 7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.075 -6.124 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.336 -4.955 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.831 -5.047 6.497 1.00 0.00 H new ATOM 1179 N PHE A 72 -9.476 -0.278 7.840 1.00 0.00 N ATOM 1180 CA PHE A 72 -8.118 -0.811 7.772 1.00 0.00 C ATOM 1181 C PHE A 72 -7.135 -0.148 8.726 1.00 0.00 C ATOM 1182 O PHE A 72 -6.040 -0.672 8.912 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.598 -0.775 6.327 1.00 0.00 C ATOM 1184 CG PHE A 72 -8.032 -2.013 5.579 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -7.481 -3.249 5.959 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -9.041 -1.964 4.600 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.943 -4.436 5.379 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -9.492 -3.156 4.004 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.938 -4.391 4.388 1.00 0.00 C ATOM 0 H PHE A 72 -9.724 0.330 7.060 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.187 -1.846 8.108 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.974 0.114 5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.510 -0.705 6.327 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.698 -3.283 6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.467 -1.016 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.535 -5.386 5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.265 -3.123 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.277 -5.304 3.921 1.00 0.00 H new ATOM 1199 N SER A 73 -7.494 0.960 9.370 1.00 0.00 N ATOM 1200 CA SER A 73 -6.593 1.681 10.252 1.00 0.00 C ATOM 1201 C SER A 73 -6.139 0.896 11.497 1.00 0.00 C ATOM 1202 O SER A 73 -5.251 1.351 12.218 1.00 0.00 O ATOM 1203 CB SER A 73 -7.249 3.027 10.580 1.00 0.00 C ATOM 1204 OG SER A 73 -8.590 2.857 11.014 1.00 0.00 O ATOM 0 H SER A 73 -8.420 1.380 9.292 1.00 0.00 H new ATOM 0 HA SER A 73 -5.649 1.841 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.675 3.534 11.356 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.229 3.668 9.699 1.00 0.00 H new ATOM 0 HG SER A 73 -8.982 3.732 11.217 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.713 -0.275 11.788 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.246 -1.164 12.842 1.00 0.00 C ATOM 1212 C LYS A 74 -5.008 -1.895 12.338 1.00 0.00 C ATOM 1213 O LYS A 74 -5.074 -2.629 11.358 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.359 -2.149 13.252 1.00 0.00 C ATOM 1215 CG LYS A 74 -8.367 -1.536 14.246 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.028 -1.765 15.725 1.00 0.00 C ATOM 1217 CE LYS A 74 -6.700 -1.110 16.115 1.00 0.00 C ATOM 1218 NZ LYS A 74 -6.338 -1.353 17.521 1.00 0.00 N ATOM 0 H LYS A 74 -7.527 -0.632 11.287 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.986 -0.591 13.732 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.891 -2.480 12.360 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.907 -3.034 13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.430 -0.463 14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.354 -1.952 14.045 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.828 -1.363 16.347 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.977 -2.835 15.924 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.909 -1.491 15.469 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.764 -0.036 15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.432 -0.888 17.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.078 -0.967 18.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.248 -2.376 17.685 1.00 0.00 H new ATOM 1232 N LYS A 75 -3.882 -1.675 13.013 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.556 -2.272 12.828 1.00 0.00 C ATOM 1234 C LYS A 75 -1.828 -1.708 11.616 1.00 0.00 C ATOM 1235 O LYS A 75 -0.601 -1.635 11.667 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.615 -3.819 12.815 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.238 -4.498 12.965 1.00 0.00 C ATOM 1238 CD LYS A 75 -0.616 -4.947 11.632 1.00 0.00 C ATOM 1239 CE LYS A 75 0.873 -5.282 11.798 1.00 0.00 C ATOM 1240 NZ LYS A 75 1.431 -5.966 10.615 1.00 0.00 N ATOM 0 H LYS A 75 -3.872 -1.006 13.783 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.961 -1.988 13.696 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.265 -4.155 13.623 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.072 -4.148 11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.555 -3.807 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.341 -5.365 13.617 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.148 -5.821 11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.733 -4.158 10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.431 -4.364 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.005 -5.915 12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.460 -6.065 10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.000 -6.908 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.226 -5.407 9.762 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.544 -1.314 10.563 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.959 -0.876 9.305 1.00 0.00 C ATOM 1256 C ILE A 76 -2.058 0.649 9.255 1.00 0.00 C ATOM 1257 O ILE A 76 -3.152 1.223 9.313 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.647 -1.572 8.102 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.771 -3.108 8.271 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.850 -1.261 6.824 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.494 -3.807 7.109 1.00 0.00 C ATOM 0 H ILE A 76 -3.564 -1.291 10.565 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.909 -1.161 9.240 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.662 -1.181 8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.773 -3.534 8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.305 -3.320 9.198 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.326 -1.746 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.828 -0.183 6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.831 -1.633 6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.540 -4.879 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.505 -3.410 7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.950 -3.628 6.182 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.914 1.319 9.154 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.853 2.758 8.907 1.00 0.00 C ATOM 1275 C GLU A 77 -1.107 3.020 7.411 1.00 0.00 C ATOM 1276 O GLU A 77 -0.904 2.143 6.572 1.00 0.00 O ATOM 1277 CB GLU A 77 0.488 3.310 9.404 1.00 0.00 C ATOM 1278 CG GLU A 77 0.570 3.236 10.938 1.00 0.00 C ATOM 1279 CD GLU A 77 1.902 3.766 11.477 1.00 0.00 C ATOM 1280 OE1 GLU A 77 2.063 5.001 11.612 1.00 0.00 O ATOM 1281 OE2 GLU A 77 2.804 2.948 11.759 1.00 0.00 O ATOM 0 H GLU A 77 0.002 0.878 9.241 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.629 3.286 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.307 2.742 8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.605 4.343 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.249 3.811 11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.437 2.202 11.257 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.610 4.199 7.044 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.155 4.456 5.708 1.00 0.00 C ATOM 1290 C ILE A 78 -1.525 5.752 5.208 1.00 0.00 C ATOM 1291 O ILE A 78 -1.699 6.793 5.833 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.702 4.499 5.762 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.284 3.161 6.288 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.273 4.815 4.366 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.773 3.193 6.639 1.00 0.00 C ATOM 0 H ILE A 78 -1.652 5.006 7.666 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.912 3.659 5.006 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.994 5.288 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.121 2.391 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.724 2.863 7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.362 4.843 4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.900 5.783 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.962 4.043 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.084 2.211 6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.947 3.935 7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.350 3.455 5.752 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.755 5.676 4.124 1.00 0.00 N ATOM 1308 CA TYR A 79 0.126 6.716 3.612 1.00 0.00 C ATOM 1309 C TYR A 79 -0.377 7.236 2.270 1.00 0.00 C ATOM 1310 O TYR A 79 -1.151 6.562 1.582 1.00 0.00 O ATOM 1311 CB TYR A 79 1.567 6.200 3.505 1.00 0.00 C ATOM 1312 CG TYR A 79 2.315 5.972 4.814 1.00 0.00 C ATOM 1313 CD1 TYR A 79 1.871 5.066 5.795 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.533 6.630 5.017 1.00 0.00 C ATOM 1315 CE1 TYR A 79 2.669 4.791 6.923 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.331 6.382 6.146 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.901 5.453 7.111 1.00 0.00 C ATOM 1318 OH TYR A 79 4.642 5.247 8.236 1.00 0.00 O ATOM 0 H TYR A 79 -0.730 4.835 3.547 1.00 0.00 H new ATOM 0 HA TYR A 79 0.121 7.549 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.551 5.259 2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.138 6.910 2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.914 4.579 5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.869 7.349 4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.335 4.067 7.651 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.269 6.902 6.273 1.00 0.00 H new ATOM 0 HH TYR A 79 5.460 5.785 8.192 1.00 0.00 H new ATOM 1328 N HIS A 80 0.092 8.426 1.906 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.359 9.176 0.744 1.00 0.00 C ATOM 1330 C HIS A 80 0.615 8.995 -0.427 1.00 0.00 C ATOM 1331 O HIS A 80 1.831 9.111 -0.269 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.546 10.649 1.135 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.360 11.454 0.149 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.125 12.754 -0.255 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.517 11.041 -0.455 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.128 13.101 -1.086 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -2.983 12.088 -1.244 1.00 0.00 N ATOM 0 H HIS A 80 0.821 8.909 2.431 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.322 8.795 0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.029 10.695 2.111 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.435 11.112 1.242 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.985 10.074 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.226 14.067 -1.559 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.818 12.083 -1.830 1.00 0.00 H new ATOM 1345 N ALA A 81 0.089 8.673 -1.607 1.00 0.00 N ATOM 1346 CA ALA A 81 0.866 8.492 -2.821 1.00 0.00 C ATOM 1347 C ALA A 81 1.212 9.855 -3.413 1.00 0.00 C ATOM 1348 O ALA A 81 0.320 10.672 -3.645 1.00 0.00 O ATOM 1349 CB ALA A 81 0.053 7.676 -3.831 1.00 0.00 C ATOM 0 H ALA A 81 -0.911 8.529 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 81 1.788 7.959 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.636 7.540 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.185 6.702 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.871 8.205 -4.067 1.00 0.00 H new ATOM 1355 N GLU A 82 2.481 10.070 -3.753 1.00 0.00 N ATOM 1356 CA GLU A 82 3.018 11.327 -4.271 1.00 0.00 C ATOM 1357 C GLU A 82 3.409 11.226 -5.736 1.00 0.00 C ATOM 1358 O GLU A 82 4.091 12.087 -6.288 1.00 0.00 O ATOM 1359 CB GLU A 82 4.155 11.819 -3.360 1.00 0.00 C ATOM 1360 CG GLU A 82 3.605 12.602 -2.160 1.00 0.00 C ATOM 1361 CD GLU A 82 3.063 13.995 -2.529 1.00 0.00 C ATOM 1362 OE1 GLU A 82 2.845 14.305 -3.724 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.882 14.819 -1.599 1.00 0.00 O ATOM 0 H GLU A 82 3.193 9.344 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 82 2.233 12.083 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.736 10.967 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.834 12.453 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.808 12.023 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.395 12.714 -1.417 1.00 0.00 H new ATOM 1370 N GLY A 83 2.927 10.182 -6.390 1.00 0.00 N ATOM 1371 CA GLY A 83 3.000 10.016 -7.815 1.00 0.00 C ATOM 1372 C GLY A 83 1.822 9.167 -8.262 1.00 0.00 C ATOM 1373 O GLY A 83 1.100 8.619 -7.422 1.00 0.00 O ATOM 0 H GLY A 83 2.461 9.407 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.978 10.986 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.939 9.537 -8.093 1.00 0.00 H new ATOM 1377 N ASP A 84 1.650 9.040 -9.570 1.00 0.00 N ATOM 1378 CA ASP A 84 1.020 7.878 -10.193 1.00 0.00 C ATOM 1379 C ASP A 84 2.048 6.774 -10.373 1.00 0.00 C ATOM 1380 O ASP A 84 1.687 5.602 -10.465 1.00 0.00 O ATOM 1381 CB ASP A 84 0.495 8.221 -11.587 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.617 9.259 -11.600 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -1.797 8.876 -11.459 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -0.333 10.458 -11.849 1.00 0.00 O ATOM 0 H ASP A 84 1.947 9.749 -10.240 1.00 0.00 H new ATOM 0 HA ASP A 84 0.201 7.564 -9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.323 8.585 -12.195 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.130 7.309 -12.059 1.00 0.00 H new ATOM 1389 N ASP A 85 3.323 7.160 -10.437 1.00 0.00 N ATOM 1390 CA ASP A 85 4.414 6.242 -10.657 1.00 0.00 C ATOM 1391 C ASP A 85 4.640 5.400 -9.406 1.00 0.00 C ATOM 1392 O ASP A 85 5.144 5.898 -8.392 1.00 0.00 O ATOM 1393 CB ASP A 85 5.692 7.002 -11.008 1.00 0.00 C ATOM 1394 CG ASP A 85 6.774 6.057 -11.495 1.00 0.00 C ATOM 1395 OD1 ASP A 85 6.442 5.082 -12.199 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.959 6.306 -11.211 1.00 0.00 O ATOM 0 H ASP A 85 3.618 8.131 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 85 4.157 5.589 -11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.478 7.743 -11.779 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.047 7.546 -10.133 1.00 0.00 H new ATOM 1401 N VAL A 86 4.252 4.130 -9.472 1.00 0.00 N ATOM 1402 CA VAL A 86 4.593 3.116 -8.478 1.00 0.00 C ATOM 1403 C VAL A 86 6.089 3.168 -8.190 1.00 0.00 C ATOM 1404 O VAL A 86 6.465 3.175 -7.020 1.00 0.00 O ATOM 1405 CB VAL A 86 4.184 1.706 -8.947 1.00 0.00 C ATOM 1406 CG1 VAL A 86 4.662 0.613 -7.971 1.00 0.00 C ATOM 1407 CG2 VAL A 86 2.668 1.591 -9.099 1.00 0.00 C ATOM 0 H VAL A 86 3.679 3.769 -10.235 1.00 0.00 H new ATOM 0 HA VAL A 86 4.039 3.330 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 86 4.665 1.556 -9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.352 -0.365 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.749 0.644 -7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.223 0.786 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.411 0.585 -9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.190 1.790 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.320 2.316 -9.835 1.00 0.00 H new ATOM 1417 N ASP A 87 6.918 3.222 -9.236 1.00 0.00 N ATOM 1418 CA ASP A 87 8.367 3.149 -9.111 1.00 0.00 C ATOM 1419 C ASP A 87 8.837 4.280 -8.206 1.00 0.00 C ATOM 1420 O ASP A 87 9.358 4.021 -7.120 1.00 0.00 O ATOM 1421 CB ASP A 87 9.050 3.189 -10.486 1.00 0.00 C ATOM 1422 CG ASP A 87 9.186 1.809 -11.119 1.00 0.00 C ATOM 1423 OD1 ASP A 87 10.196 1.130 -10.825 1.00 0.00 O ATOM 1424 OD2 ASP A 87 8.302 1.421 -11.920 1.00 0.00 O ATOM 0 H ASP A 87 6.595 3.318 -10.199 1.00 0.00 H new ATOM 0 HA ASP A 87 8.648 2.197 -8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.477 3.834 -11.152 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.039 3.635 -10.382 1.00 0.00 H new ATOM 1429 N LYS A 88 8.531 5.529 -8.585 1.00 0.00 N ATOM 1430 CA LYS A 88 8.744 6.723 -7.777 1.00 0.00 C ATOM 1431 C LYS A 88 8.286 6.496 -6.344 1.00 0.00 C ATOM 1432 O LYS A 88 9.039 6.819 -5.422 1.00 0.00 O ATOM 1433 CB LYS A 88 8.003 7.901 -8.428 1.00 0.00 C ATOM 1434 CG LYS A 88 8.290 9.257 -7.774 1.00 0.00 C ATOM 1435 CD LYS A 88 7.248 9.660 -6.726 1.00 0.00 C ATOM 1436 CE LYS A 88 6.990 11.176 -6.729 1.00 0.00 C ATOM 1437 NZ LYS A 88 8.143 12.019 -6.353 1.00 0.00 N ATOM 0 H LYS A 88 8.115 5.735 -9.493 1.00 0.00 H new ATOM 0 HA LYS A 88 9.808 6.954 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.278 7.952 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.931 7.709 -8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.273 9.225 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.332 10.024 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.314 9.132 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.589 9.351 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.658 11.468 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.169 11.388 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.840 12.733 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.886 11.424 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.516 12.495 -7.199 1.00 0.00 H new ATOM 1451 N ASN A 89 7.070 5.981 -6.150 1.00 0.00 N ATOM 1452 CA ASN A 89 6.448 5.908 -4.838 1.00 0.00 C ATOM 1453 C ASN A 89 7.183 4.944 -3.911 1.00 0.00 C ATOM 1454 O ASN A 89 7.310 5.248 -2.724 1.00 0.00 O ATOM 1455 CB ASN A 89 5.001 5.412 -4.924 1.00 0.00 C ATOM 1456 CG ASN A 89 3.971 6.490 -5.176 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.016 6.601 -4.410 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.097 7.284 -6.217 1.00 0.00 N ATOM 0 H ASN A 89 6.493 5.604 -6.902 1.00 0.00 H new ATOM 0 HA ASN A 89 6.487 6.924 -4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.933 4.672 -5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.751 4.902 -3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.397 8.004 -6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.895 7.180 -6.844 1.00 0.00 H new ATOM 1465 N ILE A 90 7.612 3.780 -4.417 1.00 0.00 N ATOM 1466 CA ILE A 90 8.359 2.788 -3.644 1.00 0.00 C ATOM 1467 C ILE A 90 9.562 3.503 -3.025 1.00 0.00 C ATOM 1468 O ILE A 90 9.795 3.399 -1.819 1.00 0.00 O ATOM 1469 CB ILE A 90 8.775 1.589 -4.542 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.551 0.759 -5.008 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.778 0.672 -3.815 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.851 -0.175 -6.187 1.00 0.00 C ATOM 0 H ILE A 90 7.447 3.501 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 90 7.744 2.364 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 90 9.254 2.012 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.185 0.166 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.748 1.440 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.051 -0.158 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.671 1.241 -3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.322 0.283 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.948 -0.722 -6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.187 0.413 -7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.631 -0.881 -5.903 1.00 0.00 H new ATOM 1484 N SER A 91 10.280 4.266 -3.847 1.00 0.00 N ATOM 1485 CA SER A 91 11.439 5.026 -3.420 1.00 0.00 C ATOM 1486 C SER A 91 11.137 6.172 -2.447 1.00 0.00 C ATOM 1487 O SER A 91 12.092 6.676 -1.847 1.00 0.00 O ATOM 1488 CB SER A 91 12.188 5.554 -4.646 1.00 0.00 C ATOM 1489 OG SER A 91 11.427 5.564 -5.837 1.00 0.00 O ATOM 0 H SER A 91 10.066 4.371 -4.839 1.00 0.00 H new ATOM 0 HA SER A 91 12.060 4.330 -2.856 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.529 6.568 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.078 4.944 -4.803 1.00 0.00 H new ATOM 0 HG SER A 91 10.632 6.123 -5.713 1.00 0.00 H new ATOM 1495 N LEU A 92 9.879 6.608 -2.282 1.00 0.00 N ATOM 1496 CA LEU A 92 9.516 7.582 -1.272 1.00 0.00 C ATOM 1497 C LEU A 92 9.297 6.871 0.053 1.00 0.00 C ATOM 1498 O LEU A 92 9.647 7.392 1.107 1.00 0.00 O ATOM 1499 CB LEU A 92 8.374 8.457 -1.766 1.00 0.00 C ATOM 1500 CG LEU A 92 8.729 9.331 -2.986 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.572 10.282 -3.260 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.010 10.160 -2.871 1.00 0.00 C ATOM 0 H LEU A 92 9.094 6.289 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 92 10.324 8.290 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.528 7.820 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.049 9.104 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 92 8.909 8.624 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.810 10.906 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.670 9.707 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.407 10.915 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.156 10.733 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.927 10.843 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.861 9.496 -2.719 1.00 0.00 H new ATOM 1514 N PHE A 93 8.692 5.690 0.015 1.00 0.00 N ATOM 1515 CA PHE A 93 8.232 5.020 1.214 1.00 0.00 C ATOM 1516 C PHE A 93 9.387 4.620 2.125 1.00 0.00 C ATOM 1517 O PHE A 93 9.285 4.748 3.337 1.00 0.00 O ATOM 1518 CB PHE A 93 7.414 3.827 0.790 1.00 0.00 C ATOM 1519 CG PHE A 93 7.048 2.977 1.976 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.193 3.469 2.984 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.704 1.749 2.138 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.980 2.726 4.158 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.487 1.004 3.298 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.628 1.482 4.304 1.00 0.00 C ATOM 0 H PHE A 93 8.509 5.176 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 93 7.618 5.701 1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.508 4.163 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.977 3.232 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.700 4.421 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.371 1.383 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.331 3.102 4.935 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.983 0.053 3.424 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.464 0.893 5.194 1.00 0.00 H new ATOM 1534 N ILE A 94 10.465 4.122 1.535 1.00 0.00 N ATOM 1535 CA ILE A 94 11.736 3.790 2.158 1.00 0.00 C ATOM 1536 C ILE A 94 12.261 4.975 2.991 1.00 0.00 C ATOM 1537 O ILE A 94 12.668 4.784 4.136 1.00 0.00 O ATOM 1538 CB ILE A 94 12.678 3.327 1.024 1.00 0.00 C ATOM 1539 CG1 ILE A 94 12.198 1.958 0.477 1.00 0.00 C ATOM 1540 CG2 ILE A 94 14.126 3.213 1.505 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.730 1.640 -0.922 1.00 0.00 C ATOM 0 H ILE A 94 10.473 3.926 0.534 1.00 0.00 H new ATOM 0 HA ILE A 94 11.647 2.979 2.881 1.00 0.00 H new ATOM 0 HB ILE A 94 12.647 4.076 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.511 1.171 1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.108 1.947 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.759 2.885 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.469 4.185 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.184 2.488 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.355 0.668 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.395 2.406 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.820 1.619 -0.901 1.00 0.00 H new ATOM 1553 N GLU A 95 12.236 6.201 2.468 1.00 0.00 N ATOM 1554 CA GLU A 95 12.597 7.386 3.248 1.00 0.00 C ATOM 1555 C GLU A 95 11.471 7.808 4.196 1.00 0.00 C ATOM 1556 O GLU A 95 11.723 8.493 5.185 1.00 0.00 O ATOM 1557 CB GLU A 95 12.923 8.526 2.283 1.00 0.00 C ATOM 1558 CG GLU A 95 14.369 8.400 1.767 1.00 0.00 C ATOM 1559 CD GLU A 95 15.435 8.992 2.702 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.447 8.723 3.932 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.307 9.747 2.209 1.00 0.00 O ATOM 0 H GLU A 95 11.969 6.400 1.504 1.00 0.00 H new ATOM 0 HA GLU A 95 13.465 7.147 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.228 8.509 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.792 9.484 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.592 7.346 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.440 8.894 0.798 1.00 0.00 H new ATOM 1568 N GLY A 96 10.240 7.370 3.946 1.00 0.00 N ATOM 1569 CA GLY A 96 9.066 7.855 4.639 1.00 0.00 C ATOM 1570 C GLY A 96 8.779 9.279 4.189 1.00 0.00 C ATOM 1571 O GLY A 96 8.429 10.123 5.007 1.00 0.00 O ATOM 0 H GLY A 96 10.035 6.658 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.211 7.213 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.226 7.826 5.717 1.00 0.00 H new ATOM 1575 N GLU A 97 8.952 9.578 2.897 1.00 0.00 N ATOM 1576 CA GLU A 97 8.654 10.895 2.349 1.00 0.00 C ATOM 1577 C GLU A 97 7.139 11.084 2.301 1.00 0.00 C ATOM 1578 O GLU A 97 6.627 12.188 2.136 1.00 0.00 O ATOM 1579 CB GLU A 97 9.284 11.005 0.945 1.00 0.00 C ATOM 1580 CG GLU A 97 10.388 12.067 0.858 1.00 0.00 C ATOM 1581 CD GLU A 97 9.918 13.322 0.120 1.00 0.00 C ATOM 1582 OE1 GLU A 97 8.933 13.970 0.551 1.00 0.00 O ATOM 1583 OE2 GLU A 97 10.509 13.675 -0.927 1.00 0.00 O ATOM 0 H GLU A 97 9.302 8.912 2.208 1.00 0.00 H new ATOM 0 HA GLU A 97 9.074 11.681 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.698 10.037 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.504 11.242 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.711 12.337 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.254 11.648 0.346 1.00 0.00 H new ATOM 1590 N LEU A 98 6.398 9.980 2.384 1.00 0.00 N ATOM 1591 CA LEU A 98 4.962 9.955 2.246 1.00 0.00 C ATOM 1592 C LEU A 98 4.442 10.163 3.644 1.00 0.00 C ATOM 1593 O LEU A 98 4.809 9.451 4.579 1.00 0.00 O ATOM 1594 CB LEU A 98 4.558 8.616 1.599 1.00 0.00 C ATOM 1595 CG LEU A 98 5.374 8.369 0.303 1.00 0.00 C ATOM 1596 CD1 LEU A 98 5.625 9.636 -0.517 1.00 0.00 C ATOM 1597 CD2 LEU A 98 6.252 7.229 0.620 1.00 0.00 C ATOM 0 H LEU A 98 6.801 9.059 2.554 1.00 0.00 H new ATOM 0 HA LEU A 98 4.544 10.723 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.726 7.800 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.493 8.624 1.369 1.00 0.00 H new ATOM 0 HG LEU A 98 4.952 7.984 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.201 9.385 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.671 10.073 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.182 10.354 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.865 6.990 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.897 7.489 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.644 6.364 0.884 1.00 0.00 H new ATOM 1609 N SER A 99 3.604 11.174 3.779 1.00 0.00 N ATOM 1610 CA SER A 99 2.847 11.367 4.994 1.00 0.00 C ATOM 1611 C SER A 99 1.761 10.310 5.061 1.00 0.00 C ATOM 1612 O SER A 99 1.262 9.836 4.035 1.00 0.00 O ATOM 1613 CB SER A 99 2.236 12.768 5.013 1.00 0.00 C ATOM 1614 OG SER A 99 3.203 13.666 5.514 1.00 0.00 O ATOM 0 H SER A 99 3.433 11.874 3.058 1.00 0.00 H new ATOM 0 HA SER A 99 3.501 11.272 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.929 13.062 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.343 12.784 5.638 1.00 0.00 H new ATOM 0 HG SER A 99 2.830 14.572 5.532 1.00 0.00 H new ATOM 1620 N LYS A 100 1.347 9.990 6.281 1.00 0.00 N ATOM 1621 CA LYS A 100 0.097 9.300 6.505 1.00 0.00 C ATOM 1622 C LYS A 100 -1.038 10.182 5.978 1.00 0.00 C ATOM 1623 O LYS A 100 -0.996 11.406 6.135 1.00 0.00 O ATOM 1624 CB LYS A 100 -0.084 9.007 7.985 1.00 0.00 C ATOM 1625 CG LYS A 100 0.824 7.834 8.366 1.00 0.00 C ATOM 1626 CD LYS A 100 0.852 7.550 9.874 1.00 0.00 C ATOM 1627 CE LYS A 100 -0.429 7.029 10.538 1.00 0.00 C ATOM 1628 NZ LYS A 100 -1.504 8.043 10.580 1.00 0.00 N ATOM 0 H LYS A 100 1.868 10.202 7.132 1.00 0.00 H new ATOM 0 HA LYS A 100 0.092 8.346 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.166 9.887 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.125 8.764 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.489 6.939 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.838 8.043 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.643 6.824 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.139 8.471 10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.783 6.152 9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.201 6.705 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.020 7.965 11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.088 8.993 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.161 7.885 9.789 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.064 9.556 5.414 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.333 10.187 5.080 1.00 0.00 C ATOM 1644 C ILE A 101 -4.024 10.597 6.385 1.00 0.00 C ATOM 1645 O ILE A 101 -3.887 9.924 7.413 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.156 9.199 4.209 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.546 9.201 2.791 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.668 9.474 4.154 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.199 8.237 1.800 1.00 0.00 C ATOM 0 H ILE A 101 -2.034 8.566 5.170 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.209 11.096 4.491 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.086 8.219 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.610 10.211 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.487 8.955 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.150 8.729 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.084 9.420 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.842 10.468 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.699 8.314 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.112 7.217 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.252 8.492 1.685 1.00 0.00 H new