USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=31 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 ASN : amide:sc= -0.245 K(o=-0.24,f=-3.6!) USER MOD Set 2.1: A 10 MET CE :methyl 162:sc= -0.188 (180deg=-0.828) USER MOD Set 2.2: A 24 TYR OH : rot 35:sc= 1.24 USER MOD Set 3.1: A 1 MET N :NH3+ -124:sc= 0.244 (180deg=0) USER MOD Set 3.2: A 33 ASN :FLIP amide:sc= 0.237 F(o=-0.87,f=0.48) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.578 (180deg=-2.58) USER MOD Single : A 3 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 4 MET CE :methyl -113:sc= -3.83! (180deg=-10.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 138:sc= 1.07 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.16) USER MOD Single : A 16 SER OG : rot 52:sc= 1.26 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 18 SER OG : rot -153:sc= 1.66 USER MOD Single : A 22 CYS SG : rot 159:sc= 1.27 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc=-0.000933 (180deg=-0.0723) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= -0.115 (180deg=-0.491) USER MOD Single : A 37 SER OG : rot 31:sc= 0.0806 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0219) USER MOD Single : A 43 ASN : amide:sc= 0.967 K(o=0.97,f=-0.76) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 95:sc= 1.25 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.025 (180deg=-0.225) 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 27:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -130:sc= 1.34 (180deg=0.084) USER MOD Single : A 63 ASN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -153:sc= 0.599 USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= -0.0288 (180deg=-1.91!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0152) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.45) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 1.06 K(o=1.1,f=-7.3!) USER MOD Single : A 91 SER OG : rot -75:sc= 0.96 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 100 LYS NZ :NH3+ -131:sc=-0.00533 (180deg=-0.942) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 15.840 -1.252 6.246 1.00 0.00 N ATOM 26 CA MET A 1 14.550 -1.843 6.484 1.00 0.00 C ATOM 27 C MET A 1 14.609 -3.312 6.114 1.00 0.00 C ATOM 28 O MET A 1 15.070 -3.646 5.029 1.00 0.00 O ATOM 29 CB MET A 1 13.473 -1.136 5.662 1.00 0.00 C ATOM 30 CG MET A 1 12.111 -1.646 6.124 1.00 0.00 C ATOM 31 SD MET A 1 11.781 -1.290 7.874 1.00 0.00 S ATOM 32 CE MET A 1 10.578 -2.572 8.273 1.00 0.00 C ATOM 0 H1 MET A 1 16.185 -0.807 7.121 1.00 0.00 H new ATOM 0 H2 MET A 1 16.509 -1.989 5.945 1.00 0.00 H new ATOM 0 H3 MET A 1 15.760 -0.532 5.500 1.00 0.00 H new ATOM 0 HA MET A 1 14.293 -1.737 7.538 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.540 -0.056 5.796 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.613 -1.335 4.600 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.332 -1.191 5.512 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.057 -2.722 5.961 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.717 -2.893 9.305 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.570 -2.176 8.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.718 -3.423 7.606 1.00 0.00 H new ATOM 42 N ILE A 2 14.101 -4.175 6.982 1.00 0.00 N ATOM 43 CA ILE A 2 14.041 -5.614 6.784 1.00 0.00 C ATOM 44 C ILE A 2 12.612 -6.016 7.139 1.00 0.00 C ATOM 45 O ILE A 2 12.072 -5.473 8.105 1.00 0.00 O ATOM 46 CB ILE A 2 15.068 -6.293 7.724 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.511 -5.771 7.531 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.990 -7.816 7.561 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.479 -6.274 8.607 1.00 0.00 C ATOM 0 H ILE A 2 13.705 -3.881 7.875 1.00 0.00 H new ATOM 0 HA ILE A 2 14.283 -5.915 5.765 1.00 0.00 H new ATOM 0 HB ILE A 2 14.800 -6.028 8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.875 -6.079 6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.501 -4.681 7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.714 -8.290 8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.987 -8.158 7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.214 -8.083 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.475 -5.873 8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.136 -5.944 9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.515 -7.363 8.583 1.00 0.00 H new ATOM 61 N ASN A 3 12.024 -7.006 6.461 1.00 0.00 N ATOM 62 CA ASN A 3 10.730 -7.617 6.798 1.00 0.00 C ATOM 63 C ASN A 3 9.511 -6.730 6.486 1.00 0.00 C ATOM 64 O ASN A 3 8.403 -7.054 6.911 1.00 0.00 O ATOM 65 CB ASN A 3 10.720 -8.224 8.223 1.00 0.00 C ATOM 66 CG ASN A 3 10.988 -9.715 8.171 1.00 0.00 C ATOM 67 OD1 ASN A 3 12.216 -10.151 8.382 1.00 0.00 O flip ATOM 68 ND2 ASN A 3 10.069 -10.488 7.936 1.00 0.00 N flip ATOM 0 H ASN A 3 12.450 -7.421 5.632 1.00 0.00 H new ATOM 0 HA ASN A 3 10.615 -8.458 6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.476 -7.735 8.838 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.756 -8.039 8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.128 -10.128 7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.244 -11.492 7.900 1.00 0.00 H new ATOM 75 N MET A 4 9.670 -5.623 5.749 1.00 0.00 N ATOM 76 CA MET A 4 8.554 -4.736 5.405 1.00 0.00 C ATOM 77 C MET A 4 7.684 -5.379 4.323 1.00 0.00 C ATOM 78 O MET A 4 8.193 -6.044 3.412 1.00 0.00 O ATOM 79 CB MET A 4 9.094 -3.362 4.963 1.00 0.00 C ATOM 80 CG MET A 4 8.049 -2.249 4.776 1.00 0.00 C ATOM 81 SD MET A 4 8.128 -0.886 5.976 1.00 0.00 S ATOM 82 CE MET A 4 9.336 0.280 5.257 1.00 0.00 C ATOM 0 H MET A 4 10.570 -5.320 5.377 1.00 0.00 H new ATOM 0 HA MET A 4 7.927 -4.582 6.283 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.823 -3.027 5.701 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.629 -3.491 4.022 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.162 -1.834 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.056 -2.696 4.826 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.226 0.314 5.885 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.611 -0.052 4.256 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.893 1.274 5.201 1.00 0.00 H new ATOM 92 N LYS A 5 6.373 -5.136 4.381 1.00 0.00 N ATOM 93 CA LYS A 5 5.439 -5.313 3.266 1.00 0.00 C ATOM 94 C LYS A 5 4.592 -4.058 3.169 1.00 0.00 C ATOM 95 O LYS A 5 4.191 -3.526 4.207 1.00 0.00 O ATOM 96 CB LYS A 5 4.516 -6.518 3.498 1.00 0.00 C ATOM 97 CG LYS A 5 5.030 -7.832 2.963 1.00 0.00 C ATOM 98 CD LYS A 5 4.203 -8.962 3.600 1.00 0.00 C ATOM 99 CE LYS A 5 4.897 -10.248 3.210 1.00 0.00 C ATOM 100 NZ LYS A 5 5.939 -10.652 4.176 1.00 0.00 N ATOM 0 H LYS A 5 5.918 -4.801 5.230 1.00 0.00 H new ATOM 0 HA LYS A 5 6.003 -5.489 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.343 -6.622 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.550 -6.310 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.942 -7.862 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.087 -7.953 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.161 -8.853 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.175 -8.947 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.157 -11.044 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.348 -10.128 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.381 -11.538 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.662 -9.907 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.508 -10.795 5.112 1.00 0.00 H new ATOM 114 N VAL A 6 4.249 -3.659 1.948 1.00 0.00 N ATOM 115 CA VAL A 6 3.324 -2.570 1.663 1.00 0.00 C ATOM 116 C VAL A 6 2.394 -3.010 0.550 1.00 0.00 C ATOM 117 O VAL A 6 2.843 -3.688 -0.368 1.00 0.00 O ATOM 118 CB VAL A 6 4.103 -1.299 1.287 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.240 -0.224 0.614 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.706 -0.696 2.551 1.00 0.00 C ATOM 0 H VAL A 6 4.619 -4.099 1.105 1.00 0.00 H new ATOM 0 HA VAL A 6 2.729 -2.332 2.545 1.00 0.00 H new ATOM 0 HB VAL A 6 4.865 -1.604 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.857 0.643 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.810 -0.625 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.438 0.075 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.261 0.206 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.909 -0.445 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.380 -1.418 3.013 1.00 0.00 H new ATOM 130 N ALA A 7 1.127 -2.598 0.610 1.00 0.00 N ATOM 131 CA ALA A 7 0.167 -2.762 -0.472 1.00 0.00 C ATOM 132 C ALA A 7 0.052 -1.446 -1.249 1.00 0.00 C ATOM 133 O ALA A 7 -0.288 -0.420 -0.659 1.00 0.00 O ATOM 134 CB ALA A 7 -1.187 -3.172 0.118 1.00 0.00 C ATOM 0 H ALA A 7 0.736 -2.133 1.429 1.00 0.00 H new ATOM 0 HA ALA A 7 0.498 -3.541 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.912 -3.297 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.079 -4.113 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.535 -2.398 0.803 1.00 0.00 H new ATOM 140 N ILE A 8 0.272 -1.461 -2.566 1.00 0.00 N ATOM 141 CA ILE A 8 0.088 -0.307 -3.454 1.00 0.00 C ATOM 142 C ILE A 8 -1.135 -0.573 -4.335 1.00 0.00 C ATOM 143 O ILE A 8 -1.164 -1.607 -5.003 1.00 0.00 O ATOM 144 CB ILE A 8 1.360 -0.065 -4.303 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.594 0.150 -3.396 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.116 1.144 -5.225 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.911 0.431 -4.128 1.00 0.00 C ATOM 0 H ILE A 8 0.591 -2.296 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.078 0.598 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 8 1.568 -0.942 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.388 0.982 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.726 -0.736 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.005 1.326 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.269 0.938 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.902 2.025 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.711 0.566 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.152 -0.409 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.809 1.336 -4.726 1.00 0.00 H new ATOM 159 N SER A 9 -2.122 0.328 -4.370 1.00 0.00 N ATOM 160 CA SER A 9 -3.357 0.105 -5.107 1.00 0.00 C ATOM 161 C SER A 9 -3.177 0.461 -6.592 1.00 0.00 C ATOM 162 O SER A 9 -3.233 1.626 -7.002 1.00 0.00 O ATOM 163 CB SER A 9 -4.515 0.805 -4.390 1.00 0.00 C ATOM 164 OG SER A 9 -4.328 2.187 -4.152 1.00 0.00 O ATOM 0 H SER A 9 -2.082 1.226 -3.889 1.00 0.00 H new ATOM 0 HA SER A 9 -3.620 -0.953 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.421 0.674 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.684 0.308 -3.435 1.00 0.00 H new ATOM 0 HG SER A 9 -5.162 2.667 -4.338 1.00 0.00 H new ATOM 170 N MET A 10 -2.897 -0.556 -7.405 1.00 0.00 N ATOM 171 CA MET A 10 -2.569 -0.433 -8.816 1.00 0.00 C ATOM 172 C MET A 10 -3.813 -0.608 -9.690 1.00 0.00 C ATOM 173 O MET A 10 -4.865 -1.085 -9.252 1.00 0.00 O ATOM 174 CB MET A 10 -1.503 -1.471 -9.198 1.00 0.00 C ATOM 175 CG MET A 10 -0.208 -1.317 -8.387 1.00 0.00 C ATOM 176 SD MET A 10 1.334 -1.910 -9.147 1.00 0.00 S ATOM 177 CE MET A 10 1.399 -1.011 -10.717 1.00 0.00 C ATOM 0 H MET A 10 -2.893 -1.524 -7.082 1.00 0.00 H new ATOM 0 HA MET A 10 -2.175 0.568 -8.989 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.906 -2.472 -9.045 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.275 -1.378 -10.260 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.082 -0.260 -8.152 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.340 -1.841 -7.440 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.415 -1.038 -11.110 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.721 -1.478 -11.432 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.100 0.025 -10.556 1.00 0.00 H new ATOM 187 N ASP A 11 -3.673 -0.206 -10.951 1.00 0.00 N ATOM 188 CA ASP A 11 -4.693 -0.315 -11.992 1.00 0.00 C ATOM 189 C ASP A 11 -4.268 -1.384 -12.991 1.00 0.00 C ATOM 190 O ASP A 11 -4.931 -2.406 -13.158 1.00 0.00 O ATOM 191 CB ASP A 11 -4.858 1.048 -12.678 1.00 0.00 C ATOM 192 CG ASP A 11 -6.293 1.273 -13.127 1.00 0.00 C ATOM 193 OD1 ASP A 11 -6.769 0.583 -14.051 1.00 0.00 O ATOM 194 OD2 ASP A 11 -6.920 2.200 -12.562 1.00 0.00 O ATOM 0 H ASP A 11 -2.811 0.222 -11.289 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.652 -0.603 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.561 1.841 -11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.192 1.107 -13.539 1.00 0.00 H new ATOM 199 N VAL A 12 -3.114 -1.176 -13.623 1.00 0.00 N ATOM 200 CA VAL A 12 -2.533 -2.075 -14.599 1.00 0.00 C ATOM 201 C VAL A 12 -1.034 -2.003 -14.332 1.00 0.00 C ATOM 202 O VAL A 12 -0.484 -2.937 -13.759 1.00 0.00 O ATOM 203 CB VAL A 12 -2.963 -1.694 -16.037 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.427 -2.722 -17.039 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.491 -1.598 -16.203 1.00 0.00 C ATOM 0 H VAL A 12 -2.544 -0.346 -13.459 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.877 -3.106 -14.509 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.542 -0.707 -16.230 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.736 -2.443 -18.047 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.339 -2.747 -16.987 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.825 -3.708 -16.797 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.729 -1.328 -17.232 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.944 -2.561 -15.967 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.883 -0.837 -15.528 1.00 0.00 H new ATOM 215 N ASP A 13 -0.399 -0.861 -14.617 1.00 0.00 N ATOM 216 CA ASP A 13 1.068 -0.732 -14.637 1.00 0.00 C ATOM 217 C ASP A 13 1.561 0.505 -13.863 1.00 0.00 C ATOM 218 O ASP A 13 2.722 0.913 -13.932 1.00 0.00 O ATOM 219 CB ASP A 13 1.506 -0.694 -16.111 1.00 0.00 C ATOM 220 CG ASP A 13 2.876 -1.307 -16.406 1.00 0.00 C ATOM 221 OD1 ASP A 13 3.526 -1.883 -15.504 1.00 0.00 O ATOM 222 OD2 ASP A 13 3.233 -1.282 -17.615 1.00 0.00 O ATOM 0 H ASP A 13 -0.888 0.006 -14.842 1.00 0.00 H new ATOM 0 HA ASP A 13 1.518 -1.584 -14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.758 -1.215 -16.708 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.512 0.344 -16.444 1.00 0.00 H new ATOM 227 N LYS A 14 0.636 1.152 -13.148 1.00 0.00 N ATOM 228 CA LYS A 14 0.800 2.365 -12.352 1.00 0.00 C ATOM 229 C LYS A 14 -0.288 2.373 -11.274 1.00 0.00 C ATOM 230 O LYS A 14 -1.174 1.503 -11.277 1.00 0.00 O ATOM 231 CB LYS A 14 0.742 3.626 -13.245 1.00 0.00 C ATOM 232 CG LYS A 14 -0.433 3.625 -14.243 1.00 0.00 C ATOM 233 CD LYS A 14 -0.454 4.845 -15.153 1.00 0.00 C ATOM 234 CE LYS A 14 -0.667 6.126 -14.346 1.00 0.00 C ATOM 235 NZ LYS A 14 -1.433 7.153 -15.074 1.00 0.00 N ATOM 0 H LYS A 14 -0.324 0.810 -13.110 1.00 0.00 H new ATOM 0 HA LYS A 14 1.780 2.376 -11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.666 4.508 -12.609 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.677 3.712 -13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.379 2.725 -14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.371 3.578 -13.689 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.485 4.909 -15.703 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.249 4.739 -15.891 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.189 5.882 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.303 6.537 -14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.703 7.914 -14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.848 7.546 -15.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.290 6.725 -15.479 1.00 0.00 H new ATOM 249 N ILE A 15 -0.216 3.337 -10.353 1.00 0.00 N ATOM 250 CA ILE A 15 -1.210 3.535 -9.302 1.00 0.00 C ATOM 251 C ILE A 15 -2.559 3.848 -9.974 1.00 0.00 C ATOM 252 O ILE A 15 -2.598 4.451 -11.051 1.00 0.00 O ATOM 253 CB ILE A 15 -0.710 4.646 -8.343 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.639 4.229 -7.701 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.733 4.992 -7.244 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.372 5.349 -6.961 1.00 0.00 C ATOM 0 H ILE A 15 0.548 4.012 -10.318 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.354 2.644 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.572 5.545 -8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.456 3.412 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.292 3.841 -8.482 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.328 5.775 -6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.657 5.341 -7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.939 4.104 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.303 4.963 -6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.593 6.160 -7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.743 5.724 -6.153 1.00 0.00 H new ATOM 268 N SER A 16 -3.657 3.420 -9.343 1.00 0.00 N ATOM 269 CA SER A 16 -5.010 3.618 -9.845 1.00 0.00 C ATOM 270 C SER A 16 -5.523 5.018 -9.507 1.00 0.00 C ATOM 271 O SER A 16 -5.460 5.927 -10.333 1.00 0.00 O ATOM 272 CB SER A 16 -5.901 2.480 -9.326 1.00 0.00 C ATOM 273 OG SER A 16 -7.185 2.530 -9.900 1.00 0.00 O ATOM 0 H SER A 16 -3.624 2.919 -8.455 1.00 0.00 H new ATOM 0 HA SER A 16 -5.026 3.571 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.437 1.520 -9.553 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.983 2.546 -8.241 1.00 0.00 H new ATOM 0 HG SER A 16 -7.106 2.575 -10.876 1.00 0.00 H new ATOM 279 N ASN A 17 -6.080 5.190 -8.309 1.00 0.00 N ATOM 280 CA ASN A 17 -6.747 6.408 -7.853 1.00 0.00 C ATOM 281 C ASN A 17 -7.122 6.240 -6.389 1.00 0.00 C ATOM 282 O ASN A 17 -6.953 7.170 -5.609 1.00 0.00 O ATOM 283 CB ASN A 17 -8.022 6.689 -8.667 1.00 0.00 C ATOM 284 CG ASN A 17 -8.825 7.865 -8.114 1.00 0.00 C ATOM 285 OD1 ASN A 17 -8.280 8.862 -7.644 1.00 0.00 O ATOM 286 ND2 ASN A 17 -10.139 7.793 -8.206 1.00 0.00 N ATOM 0 H ASN A 17 -6.079 4.455 -7.602 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.065 7.247 -7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.750 6.895 -9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.648 5.797 -8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.716 8.570 -7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.578 6.960 -8.598 1.00 0.00 H new ATOM 293 N SER A 18 -7.569 5.047 -5.989 1.00 0.00 N ATOM 294 CA SER A 18 -8.010 4.833 -4.612 1.00 0.00 C ATOM 295 C SER A 18 -7.679 3.420 -4.130 1.00 0.00 C ATOM 296 O SER A 18 -6.932 2.703 -4.806 1.00 0.00 O ATOM 297 CB SER A 18 -9.501 5.200 -4.502 1.00 0.00 C ATOM 298 OG SER A 18 -10.256 4.114 -4.961 1.00 0.00 O ATOM 0 H SER A 18 -7.634 4.226 -6.591 1.00 0.00 H new ATOM 0 HA SER A 18 -7.462 5.489 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.760 5.433 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.718 6.090 -5.093 1.00 0.00 H new ATOM 0 HG SER A 18 -11.115 4.435 -5.306 1.00 0.00 H new ATOM 304 N PHE A 19 -8.196 3.057 -2.951 1.00 0.00 N ATOM 305 CA PHE A 19 -8.229 1.707 -2.399 1.00 0.00 C ATOM 306 C PHE A 19 -9.575 1.005 -2.712 1.00 0.00 C ATOM 307 O PHE A 19 -9.734 -0.186 -2.452 1.00 0.00 O ATOM 308 CB PHE A 19 -7.972 1.820 -0.884 1.00 0.00 C ATOM 309 CG PHE A 19 -7.744 0.509 -0.151 1.00 0.00 C ATOM 310 CD1 PHE A 19 -8.845 -0.189 0.367 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.453 -0.033 0.006 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.674 -1.415 1.023 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.280 -1.266 0.655 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.387 -1.953 1.176 1.00 0.00 C ATOM 0 H PHE A 19 -8.625 3.739 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.458 1.087 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.101 2.457 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.822 2.326 -0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.837 0.224 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.595 0.501 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.531 -1.945 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.291 -1.687 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.249 -2.891 1.692 1.00 0.00 H new ATOM 324 N GLU A 20 -10.558 1.725 -3.264 1.00 0.00 N ATOM 325 CA GLU A 20 -11.937 1.283 -3.513 1.00 0.00 C ATOM 326 C GLU A 20 -12.303 1.343 -5.005 1.00 0.00 C ATOM 327 O GLU A 20 -13.456 1.123 -5.371 1.00 0.00 O ATOM 328 CB GLU A 20 -12.896 2.150 -2.664 1.00 0.00 C ATOM 329 CG GLU A 20 -13.643 1.351 -1.587 1.00 0.00 C ATOM 330 CD GLU A 20 -15.035 0.882 -2.014 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.182 -0.203 -2.607 1.00 0.00 O ATOM 332 OE2 GLU A 20 -16.019 1.590 -1.670 1.00 0.00 O ATOM 0 H GLU A 20 -10.405 2.687 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.030 0.237 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.327 2.947 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.622 2.627 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.045 0.481 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.737 1.966 -0.692 1.00 0.00 H new ATOM 339 N ASP A 21 -11.348 1.646 -5.881 1.00 0.00 N ATOM 340 CA ASP A 21 -11.523 1.763 -7.328 1.00 0.00 C ATOM 341 C ASP A 21 -10.345 1.093 -8.054 1.00 0.00 C ATOM 342 O ASP A 21 -10.243 1.157 -9.281 1.00 0.00 O ATOM 343 CB ASP A 21 -11.579 3.246 -7.738 1.00 0.00 C ATOM 344 CG ASP A 21 -12.705 4.079 -7.114 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.610 4.465 -5.927 1.00 0.00 O ATOM 346 OD2 ASP A 21 -13.598 4.528 -7.865 1.00 0.00 O ATOM 0 H ASP A 21 -10.387 1.825 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.456 1.272 -7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.627 3.709 -7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.675 3.298 -8.823 1.00 0.00 H new ATOM 351 N CYS A 22 -9.397 0.521 -7.305 1.00 0.00 N ATOM 352 CA CYS A 22 -8.220 -0.135 -7.843 1.00 0.00 C ATOM 353 C CYS A 22 -8.568 -1.511 -8.399 1.00 0.00 C ATOM 354 O CYS A 22 -9.633 -2.066 -8.137 1.00 0.00 O ATOM 355 CB CYS A 22 -7.134 -0.229 -6.765 1.00 0.00 C ATOM 356 SG CYS A 22 -7.825 -0.847 -5.203 1.00 0.00 S ATOM 0 H CYS A 22 -9.435 0.505 -6.286 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.834 0.462 -8.670 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.337 -0.892 -7.102 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.687 0.752 -6.607 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.870 -1.340 -4.471 1.00 0.00 H new ATOM 362 N LYS A 23 -7.632 -2.076 -9.157 1.00 0.00 N ATOM 363 CA LYS A 23 -7.807 -3.364 -9.817 1.00 0.00 C ATOM 364 C LYS A 23 -7.072 -4.438 -9.032 1.00 0.00 C ATOM 365 O LYS A 23 -7.564 -5.561 -8.933 1.00 0.00 O ATOM 366 CB LYS A 23 -7.256 -3.266 -11.241 1.00 0.00 C ATOM 367 CG LYS A 23 -8.171 -2.553 -12.256 1.00 0.00 C ATOM 368 CD LYS A 23 -8.773 -1.198 -11.843 1.00 0.00 C ATOM 369 CE LYS A 23 -9.571 -0.540 -12.974 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.726 -1.365 -13.385 1.00 0.00 N ATOM 0 H LYS A 23 -6.723 -1.648 -9.331 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.864 -3.628 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.301 -2.742 -11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.054 -4.274 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.602 -2.402 -13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.993 -3.226 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.423 -1.341 -10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.972 -0.528 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.922 0.439 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.918 -0.376 -13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.297 -0.842 -14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.386 -2.250 -13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.309 -1.585 -12.552 1.00 0.00 H new ATOM 384 N TYR A 24 -5.916 -4.107 -8.449 1.00 0.00 N ATOM 385 CA TYR A 24 -5.202 -4.993 -7.548 1.00 0.00 C ATOM 386 C TYR A 24 -4.333 -4.190 -6.586 1.00 0.00 C ATOM 387 O TYR A 24 -4.179 -2.973 -6.710 1.00 0.00 O ATOM 388 CB TYR A 24 -4.380 -6.018 -8.350 1.00 0.00 C ATOM 389 CG TYR A 24 -3.236 -5.458 -9.161 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.451 -5.082 -10.497 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.947 -5.370 -8.605 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.384 -4.605 -11.282 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.882 -4.896 -9.378 1.00 0.00 C ATOM 394 CZ TYR A 24 -1.089 -4.516 -10.721 1.00 0.00 C ATOM 395 OH TYR A 24 -0.031 -4.068 -11.447 1.00 0.00 O ATOM 0 H TYR A 24 -5.453 -3.210 -8.595 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.922 -5.548 -6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.980 -6.757 -7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.053 -6.547 -9.025 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.440 -5.159 -10.924 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.779 -5.669 -7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.554 -4.309 -12.307 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.104 -4.820 -8.944 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.331 -3.369 -12.065 1.00 0.00 H new ATOM 405 N PHE A 25 -3.743 -4.901 -5.636 1.00 0.00 N ATOM 406 CA PHE A 25 -2.847 -4.437 -4.605 1.00 0.00 C ATOM 407 C PHE A 25 -1.515 -5.119 -4.847 1.00 0.00 C ATOM 408 O PHE A 25 -1.419 -6.346 -4.785 1.00 0.00 O ATOM 409 CB PHE A 25 -3.416 -4.794 -3.233 1.00 0.00 C ATOM 410 CG PHE A 25 -4.804 -4.242 -3.015 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.971 -2.856 -2.874 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.919 -5.103 -2.984 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.256 -2.330 -2.653 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.203 -4.572 -2.765 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.372 -3.185 -2.595 1.00 0.00 C ATOM 0 H PHE A 25 -3.898 -5.907 -5.568 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.723 -3.354 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.440 -5.878 -3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.752 -4.411 -2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.117 -2.197 -2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.788 -6.165 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.387 -1.265 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.060 -5.229 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.357 -2.778 -2.420 1.00 0.00 H new ATOM 425 N LEU A 26 -0.499 -4.344 -5.207 1.00 0.00 N ATOM 426 CA LEU A 26 0.854 -4.860 -5.338 1.00 0.00 C ATOM 427 C LEU A 26 1.438 -4.927 -3.930 1.00 0.00 C ATOM 428 O LEU A 26 1.682 -3.884 -3.321 1.00 0.00 O ATOM 429 CB LEU A 26 1.673 -3.972 -6.286 1.00 0.00 C ATOM 430 CG LEU A 26 2.954 -4.587 -6.871 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.945 -5.004 -5.792 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.714 -5.783 -7.810 1.00 0.00 C ATOM 0 H LEU A 26 -0.590 -3.349 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 26 0.870 -5.856 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.030 -3.674 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.946 -3.063 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 26 3.376 -3.778 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.832 -5.432 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.230 -4.132 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.483 -5.746 -5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.671 -6.155 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.201 -6.576 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.100 -5.466 -8.653 1.00 0.00 H new ATOM 444 N ILE A 27 1.610 -6.129 -3.376 1.00 0.00 N ATOM 445 CA ILE A 27 2.326 -6.331 -2.125 1.00 0.00 C ATOM 446 C ILE A 27 3.823 -6.249 -2.426 1.00 0.00 C ATOM 447 O ILE A 27 4.445 -7.247 -2.808 1.00 0.00 O ATOM 448 CB ILE A 27 1.942 -7.629 -1.379 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.421 -7.861 -1.283 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.584 -7.599 0.022 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.368 -6.758 -0.568 1.00 0.00 C ATOM 0 H ILE A 27 1.253 -6.991 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 27 2.036 -5.545 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 27 2.324 -8.470 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.023 -7.973 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.246 -8.804 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.322 -8.509 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.668 -7.534 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.217 -6.733 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.426 -7.018 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.006 -6.657 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.233 -5.814 -1.095 1.00 0.00 H new ATOM 463 N VAL A 28 4.401 -5.066 -2.248 1.00 0.00 N ATOM 464 CA VAL A 28 5.839 -4.849 -2.204 1.00 0.00 C ATOM 465 C VAL A 28 6.385 -5.658 -1.030 1.00 0.00 C ATOM 466 O VAL A 28 5.725 -5.766 0.010 1.00 0.00 O ATOM 467 CB VAL A 28 6.132 -3.344 -2.018 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.636 -3.042 -2.069 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.443 -2.483 -3.082 1.00 0.00 C ATOM 0 H VAL A 28 3.864 -4.207 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 28 6.315 -5.168 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 28 5.737 -3.093 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.797 -1.972 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.144 -3.589 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.036 -3.350 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.679 -1.433 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.795 -2.776 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.364 -2.627 -3.024 1.00 0.00 H new ATOM 479 N ARG A 29 7.595 -6.201 -1.163 1.00 0.00 N ATOM 480 CA ARG A 29 8.310 -6.812 -0.056 1.00 0.00 C ATOM 481 C ARG A 29 9.748 -6.306 -0.091 1.00 0.00 C ATOM 482 O ARG A 29 10.427 -6.432 -1.118 1.00 0.00 O ATOM 483 CB ARG A 29 8.230 -8.337 -0.162 1.00 0.00 C ATOM 484 CG ARG A 29 8.578 -8.973 1.187 1.00 0.00 C ATOM 485 CD ARG A 29 9.270 -10.323 1.042 1.00 0.00 C ATOM 486 NE ARG A 29 8.371 -11.387 0.576 1.00 0.00 N ATOM 487 CZ ARG A 29 8.726 -12.668 0.437 1.00 0.00 C ATOM 488 NH1 ARG A 29 10.002 -13.038 0.442 1.00 0.00 N ATOM 489 NH2 ARG A 29 7.762 -13.566 0.298 1.00 0.00 N ATOM 0 H ARG A 29 8.104 -6.227 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 29 7.864 -6.539 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.227 -8.637 -0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.917 -8.693 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.224 -8.297 1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.666 -9.098 1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.100 -10.225 0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.696 -10.611 2.003 1.00 0.00 H new ATOM 0 HE ARG A 29 7.412 -11.131 0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.736 -12.338 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.248 -14.022 0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.786 -13.271 0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.996 -14.553 0.190 1.00 0.00 H new ATOM 503 N ILE A 30 10.179 -5.711 1.017 1.00 0.00 N ATOM 504 CA ILE A 30 11.483 -5.087 1.175 1.00 0.00 C ATOM 505 C ILE A 30 12.194 -5.857 2.281 1.00 0.00 C ATOM 506 O ILE A 30 11.630 -6.068 3.361 1.00 0.00 O ATOM 507 CB ILE A 30 11.307 -3.579 1.467 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.906 -2.802 0.197 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.552 -2.932 2.101 1.00 0.00 C ATOM 510 CD1 ILE A 30 10.040 -1.577 0.528 1.00 0.00 C ATOM 0 H ILE A 30 9.607 -5.649 1.859 1.00 0.00 H new ATOM 0 HA ILE A 30 12.092 -5.133 0.272 1.00 0.00 H new ATOM 0 HB ILE A 30 10.501 -3.517 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.804 -2.481 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.359 -3.463 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.361 -1.874 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.777 -3.425 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.401 -3.038 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.779 -1.057 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.130 -1.901 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.596 -0.903 1.180 1.00 0.00 H new ATOM 522 N ASP A 31 13.416 -6.304 2.005 1.00 0.00 N ATOM 523 CA ASP A 31 14.130 -7.258 2.862 1.00 0.00 C ATOM 524 C ASP A 31 15.514 -6.776 3.261 1.00 0.00 C ATOM 525 O ASP A 31 16.050 -7.220 4.273 1.00 0.00 O ATOM 526 CB ASP A 31 14.224 -8.627 2.184 1.00 0.00 C ATOM 527 CG ASP A 31 12.879 -9.324 2.038 1.00 0.00 C ATOM 528 OD1 ASP A 31 12.192 -9.128 1.010 1.00 0.00 O ATOM 529 OD2 ASP A 31 12.470 -10.053 2.966 1.00 0.00 O ATOM 0 H ASP A 31 13.944 -6.017 1.181 1.00 0.00 H new ATOM 0 HA ASP A 31 13.547 -7.345 3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.671 -8.505 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.894 -9.264 2.761 1.00 0.00 H new ATOM 534 N ASP A 32 16.053 -5.814 2.520 1.00 0.00 N ATOM 535 CA ASP A 32 17.174 -4.992 2.961 1.00 0.00 C ATOM 536 C ASP A 32 17.153 -3.674 2.208 1.00 0.00 C ATOM 537 O ASP A 32 17.914 -3.457 1.266 1.00 0.00 O ATOM 538 CB ASP A 32 18.530 -5.689 2.804 1.00 0.00 C ATOM 539 CG ASP A 32 19.638 -4.855 3.451 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.359 -4.025 4.348 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.823 -5.098 3.141 1.00 0.00 O ATOM 0 H ASP A 32 15.720 -5.580 1.585 1.00 0.00 H new ATOM 0 HA ASP A 32 17.053 -4.814 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.494 -6.676 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.749 -5.838 1.747 1.00 0.00 H new ATOM 546 N ASN A 33 16.202 -2.825 2.603 1.00 0.00 N ATOM 547 CA ASN A 33 15.977 -1.453 2.136 1.00 0.00 C ATOM 548 C ASN A 33 15.731 -1.336 0.622 1.00 0.00 C ATOM 549 O ASN A 33 15.676 -0.231 0.094 1.00 0.00 O ATOM 550 CB ASN A 33 17.113 -0.542 2.642 1.00 0.00 C ATOM 551 CG ASN A 33 16.652 0.857 3.040 1.00 0.00 C ATOM 552 OD1 ASN A 33 15.743 0.976 4.002 1.00 0.00 O flip ATOM 553 ND2 ASN A 33 17.177 1.847 2.561 1.00 0.00 N flip ATOM 0 H ASN A 33 15.518 -3.097 3.309 1.00 0.00 H new ATOM 0 HA ASN A 33 15.038 -1.108 2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.590 -1.015 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.871 -0.456 1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.874 1.748 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.919 2.775 2.898 1.00 0.00 H new ATOM 560 N GLU A 34 15.527 -2.465 -0.059 1.00 0.00 N ATOM 561 CA GLU A 34 15.342 -2.616 -1.496 1.00 0.00 C ATOM 562 C GLU A 34 14.227 -3.609 -1.777 1.00 0.00 C ATOM 563 O GLU A 34 13.910 -4.453 -0.928 1.00 0.00 O ATOM 564 CB GLU A 34 16.617 -3.203 -2.111 1.00 0.00 C ATOM 565 CG GLU A 34 17.679 -2.143 -2.348 1.00 0.00 C ATOM 566 CD GLU A 34 17.402 -1.226 -3.540 1.00 0.00 C ATOM 567 OE1 GLU A 34 16.261 -1.187 -4.052 1.00 0.00 O ATOM 568 OE2 GLU A 34 18.393 -0.565 -3.938 1.00 0.00 O ATOM 0 H GLU A 34 15.484 -3.364 0.420 1.00 0.00 H new ATOM 0 HA GLU A 34 15.106 -1.638 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.016 -3.973 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.373 -3.688 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.772 -1.533 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.639 -2.636 -2.500 1.00 0.00 H new ATOM 575 N VAL A 35 13.704 -3.552 -3.001 1.00 0.00 N ATOM 576 CA VAL A 35 12.739 -4.514 -3.515 1.00 0.00 C ATOM 577 C VAL A 35 13.424 -5.882 -3.634 1.00 0.00 C ATOM 578 O VAL A 35 14.359 -6.050 -4.420 1.00 0.00 O ATOM 579 CB VAL A 35 12.120 -4.000 -4.841 1.00 0.00 C ATOM 580 CG1 VAL A 35 13.049 -3.958 -6.064 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.843 -4.793 -5.157 1.00 0.00 C ATOM 0 H VAL A 35 13.945 -2.823 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 35 11.900 -4.633 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 35 11.899 -2.949 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.499 -3.581 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.894 -3.301 -5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.415 -4.962 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.410 -4.430 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.087 -5.850 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.124 -4.662 -4.348 1.00 0.00 H new ATOM 591 N LYS A 36 12.980 -6.888 -2.871 1.00 0.00 N ATOM 592 CA LYS A 36 13.467 -8.262 -3.064 1.00 0.00 C ATOM 593 C LYS A 36 12.360 -9.225 -3.477 1.00 0.00 C ATOM 594 O LYS A 36 12.682 -10.300 -3.977 1.00 0.00 O ATOM 595 CB LYS A 36 14.195 -8.807 -1.828 1.00 0.00 C ATOM 596 CG LYS A 36 15.325 -7.988 -1.208 1.00 0.00 C ATOM 597 CD LYS A 36 16.384 -7.455 -2.158 1.00 0.00 C ATOM 598 CE LYS A 36 17.640 -7.077 -1.377 1.00 0.00 C ATOM 599 NZ LYS A 36 18.347 -8.265 -0.858 1.00 0.00 N ATOM 0 H LYS A 36 12.294 -6.781 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 36 14.184 -8.197 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.447 -8.973 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.603 -9.783 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.883 -7.142 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.820 -8.605 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.625 -8.209 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.001 -6.585 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.311 -6.509 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.368 -6.425 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.353 -8.038 -0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.929 -8.548 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.258 -9.047 -1.538 1.00 0.00 H new ATOM 613 N SER A 37 11.085 -8.890 -3.281 1.00 0.00 N ATOM 614 CA SER A 37 9.956 -9.662 -3.786 1.00 0.00 C ATOM 615 C SER A 37 8.793 -8.710 -4.059 1.00 0.00 C ATOM 616 O SER A 37 8.756 -7.595 -3.536 1.00 0.00 O ATOM 617 CB SER A 37 9.545 -10.727 -2.762 1.00 0.00 C ATOM 618 OG SER A 37 10.218 -11.948 -2.973 1.00 0.00 O ATOM 0 H SER A 37 10.806 -8.060 -2.758 1.00 0.00 H new ATOM 0 HA SER A 37 10.238 -10.168 -4.709 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.758 -10.365 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.469 -10.891 -2.821 1.00 0.00 H new ATOM 0 HG SER A 37 11.103 -11.772 -3.354 1.00 0.00 H new ATOM 624 N THR A 38 7.823 -9.172 -4.844 1.00 0.00 N ATOM 625 CA THR A 38 6.555 -8.502 -5.083 1.00 0.00 C ATOM 626 C THR A 38 5.458 -9.574 -5.218 1.00 0.00 C ATOM 627 O THR A 38 5.748 -10.755 -5.462 1.00 0.00 O ATOM 628 CB THR A 38 6.659 -7.578 -6.320 1.00 0.00 C ATOM 629 OG1 THR A 38 7.482 -8.126 -7.333 1.00 0.00 O ATOM 630 CG2 THR A 38 7.247 -6.205 -5.996 1.00 0.00 C ATOM 0 H THR A 38 7.905 -10.055 -5.348 1.00 0.00 H new ATOM 0 HA THR A 38 6.292 -7.854 -4.247 1.00 0.00 H new ATOM 0 HB THR A 38 5.628 -7.480 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.517 -7.510 -8.095 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.293 -5.605 -6.905 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.617 -5.703 -5.262 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.251 -6.326 -5.590 1.00 0.00 H new ATOM 638 N LYS A 39 4.197 -9.174 -5.042 1.00 0.00 N ATOM 639 CA LYS A 39 3.000 -10.008 -5.148 1.00 0.00 C ATOM 640 C LYS A 39 1.884 -9.144 -5.695 1.00 0.00 C ATOM 641 O LYS A 39 1.881 -7.952 -5.422 1.00 0.00 O ATOM 642 CB LYS A 39 2.552 -10.473 -3.746 1.00 0.00 C ATOM 643 CG LYS A 39 2.437 -11.981 -3.506 1.00 0.00 C ATOM 644 CD LYS A 39 3.664 -12.557 -2.778 1.00 0.00 C ATOM 645 CE LYS A 39 4.506 -13.509 -3.630 1.00 0.00 C ATOM 646 NZ LYS A 39 3.782 -14.753 -3.970 1.00 0.00 N ATOM 0 H LYS A 39 3.972 -8.207 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 39 3.214 -10.868 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.254 -10.069 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.581 -10.024 -3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.541 -12.185 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.314 -12.490 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.294 -11.733 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.329 -13.085 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.804 -13.003 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.421 -13.760 -3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.435 -15.420 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.402 -15.182 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.999 -14.533 -4.618 1.00 0.00 H new ATOM 660 N VAL A 40 0.888 -9.741 -6.325 1.00 0.00 N ATOM 661 CA VAL A 40 -0.367 -9.108 -6.697 1.00 0.00 C ATOM 662 C VAL A 40 -1.451 -9.748 -5.834 1.00 0.00 C ATOM 663 O VAL A 40 -1.393 -10.941 -5.524 1.00 0.00 O ATOM 664 CB VAL A 40 -0.576 -9.325 -8.210 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.996 -9.028 -8.709 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.427 -8.444 -8.969 1.00 0.00 C ATOM 0 H VAL A 40 0.932 -10.721 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.386 -8.032 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.416 -10.387 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.049 -9.208 -9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.705 -9.678 -8.196 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.244 -7.987 -8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.295 -8.584 -10.042 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.257 -7.398 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.442 -8.725 -8.689 1.00 0.00 H new ATOM 676 N ILE A 41 -2.447 -8.958 -5.452 1.00 0.00 N ATOM 677 CA ILE A 41 -3.686 -9.402 -4.846 1.00 0.00 C ATOM 678 C ILE A 41 -4.772 -8.620 -5.567 1.00 0.00 C ATOM 679 O ILE A 41 -4.834 -7.405 -5.389 1.00 0.00 O ATOM 680 CB ILE A 41 -3.679 -9.127 -3.331 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.527 -9.878 -2.642 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.031 -9.535 -2.727 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.591 -9.767 -1.121 1.00 0.00 C ATOM 0 H ILE A 41 -2.406 -7.945 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.842 -10.476 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.524 -8.061 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.558 -10.929 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.575 -9.480 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.024 -9.340 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.828 -8.958 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.202 -10.597 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.757 -10.313 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.532 -8.718 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.530 -10.190 -0.765 1.00 0.00 H new ATOM 695 N PHE A 42 -5.584 -9.263 -6.405 1.00 0.00 N ATOM 696 CA PHE A 42 -6.691 -8.581 -7.065 1.00 0.00 C ATOM 697 C PHE A 42 -7.586 -7.893 -6.037 1.00 0.00 C ATOM 698 O PHE A 42 -7.777 -8.386 -4.920 1.00 0.00 O ATOM 699 CB PHE A 42 -7.519 -9.568 -7.891 1.00 0.00 C ATOM 700 CG PHE A 42 -6.740 -10.266 -8.983 1.00 0.00 C ATOM 701 CD1 PHE A 42 -6.079 -9.506 -9.964 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.694 -11.671 -9.035 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.358 -10.146 -10.984 1.00 0.00 C ATOM 704 CE2 PHE A 42 -6.001 -12.313 -10.074 1.00 0.00 C ATOM 705 CZ PHE A 42 -5.330 -11.551 -11.049 1.00 0.00 C ATOM 0 H PHE A 42 -5.495 -10.251 -6.641 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.272 -7.828 -7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.941 -10.319 -7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.357 -9.035 -8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.126 -8.427 -9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.192 -12.256 -8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.825 -9.560 -11.718 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.983 -13.392 -10.125 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.794 -12.045 -11.846 1.00 0.00 H new ATOM 715 N ASN A 43 -8.157 -6.758 -6.433 1.00 0.00 N ATOM 716 CA ASN A 43 -9.246 -6.136 -5.709 1.00 0.00 C ATOM 717 C ASN A 43 -10.501 -6.938 -6.031 1.00 0.00 C ATOM 718 O ASN A 43 -11.271 -6.594 -6.931 1.00 0.00 O ATOM 719 CB ASN A 43 -9.383 -4.652 -6.058 1.00 0.00 C ATOM 720 CG ASN A 43 -10.582 -4.033 -5.348 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.978 -4.462 -4.260 1.00 0.00 O ATOM 722 ND2 ASN A 43 -11.166 -3.020 -5.956 1.00 0.00 N ATOM 0 H ASN A 43 -7.871 -6.248 -7.269 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.062 -6.152 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.474 -4.122 -5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.495 -4.537 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.972 -2.564 -5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.812 -2.692 -6.854 1.00 0.00 H new ATOM 729 N ASP A 44 -10.641 -8.036 -5.302 1.00 0.00 N ATOM 730 CA ASP A 44 -11.769 -8.938 -5.194 1.00 0.00 C ATOM 731 C ASP A 44 -11.925 -9.181 -3.694 1.00 0.00 C ATOM 732 O ASP A 44 -11.068 -8.777 -2.892 1.00 0.00 O ATOM 733 CB ASP A 44 -11.458 -10.284 -5.853 1.00 0.00 C ATOM 734 CG ASP A 44 -11.723 -10.358 -7.347 1.00 0.00 C ATOM 735 OD1 ASP A 44 -12.871 -10.726 -7.689 1.00 0.00 O ATOM 736 OD2 ASP A 44 -10.796 -10.198 -8.169 1.00 0.00 O ATOM 0 H ASP A 44 -9.875 -8.348 -4.705 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.654 -8.520 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.409 -10.522 -5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.048 -11.056 -5.358 1.00 0.00 H new ATOM 741 N GLU A 45 -12.992 -9.860 -3.281 1.00 0.00 N ATOM 742 CA GLU A 45 -13.265 -10.041 -1.868 1.00 0.00 C ATOM 743 C GLU A 45 -12.204 -10.868 -1.147 1.00 0.00 C ATOM 744 O GLU A 45 -11.810 -10.511 -0.031 1.00 0.00 O ATOM 745 CB GLU A 45 -14.667 -10.598 -1.656 1.00 0.00 C ATOM 746 CG GLU A 45 -14.861 -12.093 -1.931 1.00 0.00 C ATOM 747 CD GLU A 45 -16.300 -12.468 -1.602 1.00 0.00 C ATOM 748 OE1 GLU A 45 -16.634 -12.603 -0.402 1.00 0.00 O ATOM 749 OE2 GLU A 45 -17.134 -12.480 -2.530 1.00 0.00 O ATOM 0 H GLU A 45 -13.675 -10.290 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.218 -9.053 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.959 -10.401 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.354 -10.042 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.642 -12.317 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.170 -12.681 -1.327 1.00 0.00 H new ATOM 756 N SER A 46 -11.700 -11.938 -1.771 1.00 0.00 N ATOM 757 CA SER A 46 -10.676 -12.760 -1.135 1.00 0.00 C ATOM 758 C SER A 46 -9.380 -11.957 -1.020 1.00 0.00 C ATOM 759 O SER A 46 -8.573 -12.237 -0.134 1.00 0.00 O ATOM 760 CB SER A 46 -10.497 -14.084 -1.895 1.00 0.00 C ATOM 761 OG SER A 46 -9.713 -15.018 -1.173 1.00 0.00 O ATOM 0 H SER A 46 -11.982 -12.248 -2.701 1.00 0.00 H new ATOM 0 HA SER A 46 -10.986 -13.028 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.476 -14.517 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.027 -13.886 -2.858 1.00 0.00 H new ATOM 0 HG SER A 46 -9.627 -15.844 -1.693 1.00 0.00 H new ATOM 767 N GLY A 47 -9.219 -10.913 -1.839 1.00 0.00 N ATOM 768 CA GLY A 47 -8.101 -10.008 -1.783 1.00 0.00 C ATOM 769 C GLY A 47 -8.035 -9.331 -0.426 1.00 0.00 C ATOM 770 O GLY A 47 -7.126 -9.609 0.350 1.00 0.00 O ATOM 0 H GLY A 47 -9.888 -10.681 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.175 -10.552 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.194 -9.257 -2.567 1.00 0.00 H new ATOM 774 N LYS A 48 -9.002 -8.466 -0.097 1.00 0.00 N ATOM 775 CA LYS A 48 -8.951 -7.721 1.163 1.00 0.00 C ATOM 776 C LYS A 48 -9.001 -8.657 2.368 1.00 0.00 C ATOM 777 O LYS A 48 -8.437 -8.303 3.402 1.00 0.00 O ATOM 778 CB LYS A 48 -10.124 -6.742 1.294 1.00 0.00 C ATOM 779 CG LYS A 48 -10.118 -5.522 0.365 1.00 0.00 C ATOM 780 CD LYS A 48 -11.497 -4.843 0.406 1.00 0.00 C ATOM 781 CE LYS A 48 -11.824 -4.106 1.717 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.280 -4.078 1.987 1.00 0.00 N ATOM 0 H LYS A 48 -9.817 -8.268 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.008 -7.174 1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.048 -7.295 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.154 -6.384 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.345 -4.819 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.881 -5.828 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.559 -4.132 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.262 -5.599 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.311 -4.594 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.445 -3.085 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.458 -3.573 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.768 -3.590 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.638 -5.052 2.063 1.00 0.00 H new ATOM 796 N LYS A 49 -9.646 -9.832 2.277 1.00 0.00 N ATOM 797 CA LYS A 49 -9.577 -10.802 3.359 1.00 0.00 C ATOM 798 C LYS A 49 -8.119 -11.192 3.591 1.00 0.00 C ATOM 799 O LYS A 49 -7.621 -11.031 4.704 1.00 0.00 O ATOM 800 CB LYS A 49 -10.438 -12.037 3.069 1.00 0.00 C ATOM 801 CG LYS A 49 -11.953 -11.794 3.198 1.00 0.00 C ATOM 802 CD LYS A 49 -12.692 -13.094 3.561 1.00 0.00 C ATOM 803 CE LYS A 49 -14.047 -13.212 2.856 1.00 0.00 C ATOM 804 NZ LYS A 49 -14.822 -14.371 3.346 1.00 0.00 N ATOM 0 H LYS A 49 -10.209 -10.121 1.477 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.978 -10.345 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.222 -12.388 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.150 -12.836 3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.140 -11.040 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.343 -11.400 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.071 -13.949 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.842 -13.134 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.620 -12.298 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.891 -13.308 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.732 -14.417 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.287 -15.245 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.993 -14.268 4.367 1.00 0.00 H new ATOM 818 N SER A 50 -7.438 -11.644 2.537 1.00 0.00 N ATOM 819 CA SER A 50 -6.034 -12.013 2.591 1.00 0.00 C ATOM 820 C SER A 50 -5.182 -10.863 3.135 1.00 0.00 C ATOM 821 O SER A 50 -4.253 -11.119 3.900 1.00 0.00 O ATOM 822 CB SER A 50 -5.542 -12.449 1.202 1.00 0.00 C ATOM 823 OG SER A 50 -6.359 -13.474 0.668 1.00 0.00 O ATOM 0 H SER A 50 -7.856 -11.763 1.614 1.00 0.00 H new ATOM 0 HA SER A 50 -5.929 -12.855 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.542 -11.592 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.512 -12.800 1.272 1.00 0.00 H new ATOM 0 HG SER A 50 -7.044 -13.078 0.090 1.00 0.00 H new ATOM 829 N ILE A 51 -5.466 -9.609 2.758 1.00 0.00 N ATOM 830 CA ILE A 51 -4.689 -8.447 3.191 1.00 0.00 C ATOM 831 C ILE A 51 -4.660 -8.353 4.714 1.00 0.00 C ATOM 832 O ILE A 51 -3.587 -8.159 5.288 1.00 0.00 O ATOM 833 CB ILE A 51 -5.208 -7.143 2.522 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.865 -7.175 1.020 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.608 -5.874 3.153 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.229 -5.932 0.212 1.00 0.00 C ATOM 0 H ILE A 51 -6.244 -9.375 2.142 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.659 -8.576 2.860 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.286 -7.103 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.793 -7.346 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.369 -8.032 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.005 -4.994 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.870 -5.834 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.523 -5.894 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.938 -6.076 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.304 -5.764 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.705 -5.067 0.619 1.00 0.00 H new ATOM 848 N VAL A 52 -5.804 -8.499 5.384 1.00 0.00 N ATOM 849 CA VAL A 52 -5.876 -8.421 6.841 1.00 0.00 C ATOM 850 C VAL A 52 -4.939 -9.456 7.478 1.00 0.00 C ATOM 851 O VAL A 52 -4.277 -9.155 8.477 1.00 0.00 O ATOM 852 CB VAL A 52 -7.342 -8.595 7.288 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.482 -8.642 8.813 1.00 0.00 C ATOM 854 CG2 VAL A 52 -8.210 -7.441 6.766 1.00 0.00 C ATOM 0 H VAL A 52 -6.702 -8.674 4.933 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.538 -7.442 7.181 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.677 -9.545 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.532 -8.765 9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.907 -9.481 9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.106 -7.713 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.240 -7.584 7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.833 -6.496 7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.174 -7.423 5.677 1.00 0.00 H new ATOM 864 N LYS A 53 -4.869 -10.657 6.901 1.00 0.00 N ATOM 865 CA LYS A 53 -4.082 -11.767 7.416 1.00 0.00 C ATOM 866 C LYS A 53 -2.643 -11.761 6.893 1.00 0.00 C ATOM 867 O LYS A 53 -1.924 -12.737 7.105 1.00 0.00 O ATOM 868 CB LYS A 53 -4.789 -13.091 7.080 1.00 0.00 C ATOM 869 CG LYS A 53 -6.015 -13.356 7.965 1.00 0.00 C ATOM 870 CD LYS A 53 -7.320 -12.715 7.474 1.00 0.00 C ATOM 871 CE LYS A 53 -8.495 -13.232 8.303 1.00 0.00 C ATOM 872 NZ LYS A 53 -8.811 -14.641 7.994 1.00 0.00 N ATOM 0 H LYS A 53 -5.371 -10.885 6.043 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.010 -11.656 8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.098 -13.077 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.082 -13.913 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.163 -14.433 8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.804 -12.991 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.256 -11.630 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.476 -12.947 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.261 -13.137 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.372 -12.614 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.764 -14.868 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.777 -14.787 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.116 -15.262 8.455 1.00 0.00 H new ATOM 886 N GLU A 54 -2.200 -10.721 6.188 1.00 0.00 N ATOM 887 CA GLU A 54 -0.804 -10.587 5.807 1.00 0.00 C ATOM 888 C GLU A 54 -0.132 -9.594 6.740 1.00 0.00 C ATOM 889 O GLU A 54 -0.748 -8.628 7.199 1.00 0.00 O ATOM 890 CB GLU A 54 -0.670 -10.116 4.351 1.00 0.00 C ATOM 891 CG GLU A 54 0.246 -11.069 3.565 1.00 0.00 C ATOM 892 CD GLU A 54 0.644 -10.569 2.176 1.00 0.00 C ATOM 893 OE1 GLU A 54 0.756 -9.336 2.003 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.859 -11.410 1.271 1.00 0.00 O ATOM 0 H GLU A 54 -2.796 -9.957 5.870 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.321 -11.561 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.653 -10.076 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.263 -9.105 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.151 -11.244 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.256 -12.031 3.460 1.00 0.00 H new ATOM 901 N ASN A 55 1.172 -9.767 6.926 1.00 0.00 N ATOM 902 CA ASN A 55 2.030 -8.865 7.680 1.00 0.00 C ATOM 903 C ASN A 55 2.354 -7.608 6.857 1.00 0.00 C ATOM 904 O ASN A 55 3.505 -7.186 6.815 1.00 0.00 O ATOM 905 CB ASN A 55 3.303 -9.622 8.096 1.00 0.00 C ATOM 906 CG ASN A 55 3.021 -10.736 9.087 1.00 0.00 C ATOM 907 OD1 ASN A 55 3.008 -11.909 8.729 1.00 0.00 O ATOM 908 ND2 ASN A 55 2.793 -10.443 10.355 1.00 0.00 N ATOM 0 H ASN A 55 1.676 -10.566 6.542 1.00 0.00 H new ATOM 0 HA ASN A 55 1.515 -8.527 8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.778 -10.041 7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.012 -8.920 8.536 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.608 -11.189 11.026 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.802 -9.471 10.663 1.00 0.00 H new ATOM 915 N VAL A 56 1.380 -6.999 6.167 1.00 0.00 N ATOM 916 CA VAL A 56 1.590 -5.659 5.629 1.00 0.00 C ATOM 917 C VAL A 56 1.783 -4.748 6.836 1.00 0.00 C ATOM 918 O VAL A 56 1.092 -4.867 7.857 1.00 0.00 O ATOM 919 CB VAL A 56 0.437 -5.153 4.736 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.956 -4.120 3.742 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.299 -6.195 3.886 1.00 0.00 C ATOM 0 H VAL A 56 0.464 -7.404 5.975 1.00 0.00 H new ATOM 0 HA VAL A 56 2.457 -5.667 4.969 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.272 -4.768 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.134 -3.771 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.384 -3.277 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.722 -4.573 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.083 -5.705 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.406 -6.674 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.744 -6.947 4.537 1.00 0.00 H new ATOM 931 N ASN A 57 2.750 -3.852 6.719 1.00 0.00 N ATOM 932 CA ASN A 57 3.019 -2.861 7.737 1.00 0.00 C ATOM 933 C ASN A 57 2.206 -1.609 7.455 1.00 0.00 C ATOM 934 O ASN A 57 1.644 -1.035 8.389 1.00 0.00 O ATOM 935 CB ASN A 57 4.527 -2.603 7.820 1.00 0.00 C ATOM 936 CG ASN A 57 4.978 -2.867 9.247 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.210 -1.961 10.043 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.034 -4.134 9.629 1.00 0.00 N ATOM 0 H ASN A 57 3.370 -3.795 5.911 1.00 0.00 H new ATOM 0 HA ASN A 57 2.710 -3.222 8.718 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.062 -3.252 7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.753 -1.576 7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.272 -4.366 10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.839 -4.878 8.959 1.00 0.00 H new ATOM 945 N ALA A 58 2.039 -1.254 6.182 1.00 0.00 N ATOM 946 CA ALA A 58 1.444 0.003 5.780 1.00 0.00 C ATOM 947 C ALA A 58 0.825 -0.143 4.385 1.00 0.00 C ATOM 948 O ALA A 58 1.167 -1.069 3.650 1.00 0.00 O ATOM 949 CB ALA A 58 2.555 1.056 5.828 1.00 0.00 C ATOM 0 H ALA A 58 2.319 -1.843 5.398 1.00 0.00 H new ATOM 0 HA ALA A 58 0.635 0.308 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.152 2.024 5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.950 1.122 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.355 0.772 5.145 1.00 0.00 H new ATOM 955 N ILE A 59 -0.101 0.737 4.007 1.00 0.00 N ATOM 956 CA ILE A 59 -0.689 0.757 2.663 1.00 0.00 C ATOM 957 C ILE A 59 -0.343 2.111 2.023 1.00 0.00 C ATOM 958 O ILE A 59 -0.372 3.121 2.731 1.00 0.00 O ATOM 959 CB ILE A 59 -2.216 0.540 2.767 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.545 -0.798 3.470 1.00 0.00 C ATOM 961 CG2 ILE A 59 -2.833 0.524 1.363 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.018 -0.937 3.865 1.00 0.00 C ATOM 0 H ILE A 59 -0.468 1.461 4.625 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.291 -0.043 2.039 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.631 1.358 3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.275 -1.622 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.928 -0.891 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.909 0.371 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.636 1.475 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.392 -0.285 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.175 -1.899 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.288 -0.134 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.641 -0.877 2.973 1.00 0.00 H new ATOM 974 N ILE A 60 -0.058 2.156 0.715 1.00 0.00 N ATOM 975 CA ILE A 60 0.020 3.391 -0.062 1.00 0.00 C ATOM 976 C ILE A 60 -1.222 3.416 -0.953 1.00 0.00 C ATOM 977 O ILE A 60 -1.525 2.429 -1.635 1.00 0.00 O ATOM 978 CB ILE A 60 1.327 3.484 -0.897 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.577 3.339 -0.012 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.364 4.840 -1.623 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.945 3.286 -0.715 1.00 0.00 C ATOM 0 H ILE A 60 0.127 1.319 0.162 1.00 0.00 H new ATOM 0 HA ILE A 60 0.048 4.256 0.600 1.00 0.00 H new ATOM 0 HB ILE A 60 1.332 2.666 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.591 4.174 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.467 2.429 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.279 4.913 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.500 4.923 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.339 5.646 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.733 3.183 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.973 2.433 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.099 4.205 -1.281 1.00 0.00 H new ATOM 993 N CYS A 61 -1.931 4.541 -0.966 1.00 0.00 N ATOM 994 CA CYS A 61 -2.974 4.857 -1.932 1.00 0.00 C ATOM 995 C CYS A 61 -3.021 6.375 -2.102 1.00 0.00 C ATOM 996 O CYS A 61 -2.647 7.099 -1.184 1.00 0.00 O ATOM 997 CB CYS A 61 -4.330 4.340 -1.429 1.00 0.00 C ATOM 998 SG CYS A 61 -4.660 4.896 0.273 1.00 0.00 S ATOM 0 H CYS A 61 -1.789 5.282 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.759 4.379 -2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.123 4.692 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.343 3.251 -1.467 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.028 6.010 0.496 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.556 6.878 -3.217 1.00 0.00 N ATOM 1005 CA LYS A 62 -3.945 8.288 -3.268 1.00 0.00 C ATOM 1006 C LYS A 62 -5.209 8.516 -2.436 1.00 0.00 C ATOM 1007 O LYS A 62 -5.269 9.476 -1.686 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.187 8.769 -4.703 1.00 0.00 C ATOM 1009 CG LYS A 62 -2.939 8.933 -5.568 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.337 9.628 -6.868 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.118 9.838 -7.763 1.00 0.00 C ATOM 1012 NZ LYS A 62 -2.369 10.895 -8.757 1.00 0.00 N ATOM 0 H LYS A 62 -3.726 6.349 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.117 8.865 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.857 8.063 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.707 9.726 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.187 9.519 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.494 7.961 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.081 9.029 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.801 10.589 -6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.256 10.106 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.871 8.906 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.112 10.549 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.377 11.152 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.796 11.732 -8.526 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.219 7.654 -2.537 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.516 7.933 -1.928 1.00 0.00 C ATOM 1028 C ASN A 63 -7.998 6.677 -1.231 1.00 0.00 C ATOM 1029 O ASN A 63 -7.605 5.569 -1.605 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.535 8.426 -2.969 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.167 9.792 -3.511 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.492 10.824 -2.932 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.418 9.860 -4.605 1.00 0.00 N ATOM 0 H ASN A 63 -6.165 6.763 -3.031 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.410 8.737 -1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.591 7.712 -3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.526 8.469 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.115 10.767 -4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.145 9.005 -5.090 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.852 6.842 -0.232 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.400 5.739 0.541 1.00 0.00 C ATOM 1042 C ILE A 64 -10.754 6.192 1.080 1.00 0.00 C ATOM 1043 O ILE A 64 -10.826 7.165 1.829 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.387 5.253 1.612 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -9.039 4.168 2.494 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.770 6.377 2.461 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.102 3.535 3.516 1.00 0.00 C ATOM 0 H ILE A 64 -9.188 7.757 0.068 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.570 4.852 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.543 4.827 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.887 4.607 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.436 3.384 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.075 5.948 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.237 7.072 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.561 6.909 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.644 2.784 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.266 3.063 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.724 4.305 4.189 1.00 0.00 H new ATOM 1059 N SER A 65 -11.814 5.479 0.691 1.00 0.00 N ATOM 1060 CA SER A 65 -13.155 5.701 1.206 1.00 0.00 C ATOM 1061 C SER A 65 -13.163 5.492 2.722 1.00 0.00 C ATOM 1062 O SER A 65 -12.454 4.620 3.244 1.00 0.00 O ATOM 1063 CB SER A 65 -14.131 4.737 0.527 1.00 0.00 C ATOM 1064 OG SER A 65 -15.448 5.219 0.635 1.00 0.00 O ATOM 0 H SER A 65 -11.759 4.727 0.004 1.00 0.00 H new ATOM 0 HA SER A 65 -13.466 6.723 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.865 4.619 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.058 3.751 0.987 1.00 0.00 H new ATOM 0 HG SER A 65 -16.062 4.594 0.195 1.00 0.00 H new ATOM 1070 N GLU A 66 -14.009 6.263 3.399 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.128 6.388 4.844 1.00 0.00 C ATOM 1072 C GLU A 66 -14.297 5.027 5.512 1.00 0.00 C ATOM 1073 O GLU A 66 -13.597 4.711 6.482 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.337 7.303 5.139 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.079 8.328 6.250 1.00 0.00 C ATOM 1076 CD GLU A 66 -15.614 9.710 5.863 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -14.979 10.384 5.020 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -16.613 10.155 6.480 1.00 0.00 O ATOM 0 H GLU A 66 -14.678 6.860 2.913 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.216 6.822 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.612 7.831 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.190 6.684 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.555 7.996 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.009 8.392 6.448 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.209 4.212 4.966 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.614 2.948 5.578 1.00 0.00 C ATOM 1087 C GLU A 67 -14.446 1.949 5.620 1.00 0.00 C ATOM 1088 O GLU A 67 -14.397 1.061 6.479 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.828 2.378 4.831 1.00 0.00 C ATOM 1090 CG GLU A 67 -18.033 2.221 5.777 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.250 0.778 6.237 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.751 -0.053 5.440 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -17.914 0.454 7.404 1.00 0.00 O ATOM 0 H GLU A 67 -15.685 4.414 4.087 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.904 3.132 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.093 3.037 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.572 1.411 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.887 2.857 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.932 2.574 5.272 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.482 2.102 4.703 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.228 1.352 4.693 1.00 0.00 C ATOM 1102 C ASN A 68 -11.210 2.013 5.615 1.00 0.00 C ATOM 1103 O ASN A 68 -10.567 1.303 6.385 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.615 1.295 3.280 1.00 0.00 C ATOM 1105 CG ASN A 68 -11.939 0.039 2.476 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -11.825 -1.083 2.973 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.266 0.214 1.207 1.00 0.00 N ATOM 0 H ASN A 68 -13.558 2.766 3.932 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.458 0.342 5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.958 2.164 2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.532 1.380 3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.432 -0.594 0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.352 1.157 0.828 1.00 0.00 H new ATOM 1114 N TYR A 69 -11.012 3.335 5.544 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.989 4.014 6.344 1.00 0.00 C ATOM 1116 C TYR A 69 -10.184 3.703 7.823 1.00 0.00 C ATOM 1117 O TYR A 69 -9.274 3.193 8.478 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.972 5.530 6.100 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.882 6.214 6.908 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.145 6.632 8.224 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.580 6.341 6.389 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -8.116 7.160 9.020 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.555 6.910 7.161 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.820 7.332 8.482 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.824 7.884 9.227 1.00 0.00 O ATOM 0 H TYR A 69 -11.549 3.956 4.939 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.018 3.633 6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.817 5.727 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.941 5.953 6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.144 6.547 8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.368 5.997 5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.315 7.435 10.045 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.565 7.025 6.745 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.173 8.314 8.635 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.398 3.939 8.320 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.778 3.711 9.708 1.00 0.00 C ATOM 1137 C LYS A 70 -11.562 2.257 10.146 1.00 0.00 C ATOM 1138 O LYS A 70 -11.434 2.001 11.347 1.00 0.00 O ATOM 1139 CB LYS A 70 -13.254 4.105 9.866 1.00 0.00 C ATOM 1140 CG LYS A 70 -13.473 5.625 9.801 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.968 5.930 9.623 1.00 0.00 C ATOM 1142 CE LYS A 70 -15.375 7.291 10.191 1.00 0.00 C ATOM 1143 NZ LYS A 70 -14.609 8.420 9.633 1.00 0.00 N ATOM 0 H LYS A 70 -12.162 4.304 7.751 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.141 4.320 10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.840 3.624 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.626 3.729 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.103 6.094 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.905 6.048 8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.216 5.897 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.552 5.150 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.436 7.453 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.246 7.276 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.015 8.838 10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.005 8.080 8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.266 9.139 9.270 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.522 1.303 9.209 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.180 -0.086 9.478 1.00 0.00 C ATOM 1159 C LYS A 71 -9.663 -0.215 9.585 1.00 0.00 C ATOM 1160 O LYS A 71 -9.127 -0.674 10.594 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.737 -0.989 8.365 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.681 -2.480 8.744 1.00 0.00 C ATOM 1163 CD LYS A 71 -13.088 -3.093 8.758 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.575 -3.309 7.323 1.00 0.00 C ATOM 1165 NZ LYS A 71 -14.998 -3.657 7.243 1.00 0.00 N ATOM 0 H LYS A 71 -11.731 1.484 8.227 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.626 -0.404 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.769 -0.708 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.168 -0.827 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.053 -3.017 8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.221 -2.593 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.076 -4.042 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.776 -2.435 9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.396 -2.402 6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.987 -4.102 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.267 -3.790 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.170 -4.537 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.567 -2.890 7.656 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.962 0.117 8.504 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.562 -0.205 8.324 1.00 0.00 C ATOM 1181 C PHE A 72 -6.675 0.532 9.331 1.00 0.00 C ATOM 1182 O PHE A 72 -5.703 -0.067 9.797 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.161 0.018 6.856 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.435 -1.198 5.978 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.472 -2.216 5.905 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.622 -1.337 5.233 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -6.688 -3.371 5.140 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -8.821 -2.477 4.429 1.00 0.00 C ATOM 1189 CZ PHE A 72 -7.869 -3.508 4.397 1.00 0.00 C ATOM 0 H PHE A 72 -9.365 0.627 7.718 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.404 -1.262 8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.706 0.876 6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.100 0.264 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.545 -2.108 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.380 -0.569 5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.945 -4.155 5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.716 -2.558 3.831 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.044 -4.396 3.807 1.00 0.00 H new ATOM 1199 N SER A 73 -7.021 1.762 9.738 1.00 0.00 N ATOM 1200 CA SER A 73 -6.136 2.589 10.561 1.00 0.00 C ATOM 1201 C SER A 73 -5.880 2.030 11.974 1.00 0.00 C ATOM 1202 O SER A 73 -4.980 2.497 12.677 1.00 0.00 O ATOM 1203 CB SER A 73 -6.639 4.041 10.573 1.00 0.00 C ATOM 1204 OG SER A 73 -7.783 4.221 11.384 1.00 0.00 O ATOM 0 H SER A 73 -7.911 2.204 9.508 1.00 0.00 H new ATOM 0 HA SER A 73 -5.151 2.567 10.094 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.842 4.693 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.871 4.348 9.553 1.00 0.00 H new ATOM 0 HG SER A 73 -8.059 5.161 11.357 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.617 0.998 12.396 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.552 0.405 13.734 1.00 0.00 C ATOM 1212 C LYS A 74 -5.172 -0.163 14.111 1.00 0.00 C ATOM 1213 O LYS A 74 -4.912 -0.396 15.294 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.655 -0.662 13.806 1.00 0.00 C ATOM 1215 CG LYS A 74 -8.180 -0.955 15.227 1.00 0.00 C ATOM 1216 CD LYS A 74 -7.820 -2.327 15.814 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.057 -3.469 14.812 1.00 0.00 C ATOM 1218 NZ LYS A 74 -8.597 -4.689 15.435 1.00 0.00 N ATOM 0 H LYS A 74 -7.299 0.537 11.794 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.712 1.189 14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.491 -0.343 13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.273 -1.588 13.377 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.800 -0.185 15.898 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.266 -0.861 15.217 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.774 -2.326 16.120 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.414 -2.504 16.711 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.747 -3.128 14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.116 -3.709 14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.734 -5.419 14.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.930 -5.037 16.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.509 -4.474 15.885 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.264 -0.389 13.155 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.842 -0.660 13.420 1.00 0.00 C ATOM 1234 C LYS A 75 -2.007 -0.253 12.209 1.00 0.00 C ATOM 1235 O LYS A 75 -0.974 0.386 12.370 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.602 -2.152 13.768 1.00 0.00 C ATOM 1237 CG LYS A 75 -2.025 -2.419 15.172 1.00 0.00 C ATOM 1238 CD LYS A 75 -0.616 -1.846 15.397 1.00 0.00 C ATOM 1239 CE LYS A 75 0.093 -2.419 16.637 1.00 0.00 C ATOM 1240 NZ LYS A 75 0.488 -3.843 16.491 1.00 0.00 N ATOM 0 H LYS A 75 -4.497 -0.389 12.162 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.537 -0.070 14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.548 -2.686 13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.923 -2.575 13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.700 -1.995 15.916 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.998 -3.495 15.342 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.007 -2.046 14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.685 -0.763 15.497 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.982 -1.823 16.844 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.566 -2.320 17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.048 -4.135 17.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.365 -4.435 16.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.058 -3.958 15.629 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.456 -0.630 11.010 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.780 -0.360 9.745 1.00 0.00 C ATOM 1256 C ILE A 76 -1.734 1.156 9.541 1.00 0.00 C ATOM 1257 O ILE A 76 -2.725 1.856 9.777 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.539 -1.072 8.604 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.636 -2.600 8.834 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.879 -0.829 7.237 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.833 -3.201 8.112 1.00 0.00 C ATOM 0 H ILE A 76 -3.327 -1.147 10.892 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.759 -0.741 9.751 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.541 -0.643 8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.722 -3.080 8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.715 -2.803 9.902 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.444 -1.347 6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.867 0.240 7.024 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.857 -1.207 7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.868 -4.275 8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.749 -2.739 8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.740 -3.020 7.041 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.593 1.651 9.073 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.354 3.050 8.761 1.00 0.00 C ATOM 1275 C GLU A 77 -0.683 3.255 7.281 1.00 0.00 C ATOM 1276 O GLU A 77 -0.206 2.503 6.432 1.00 0.00 O ATOM 1277 CB GLU A 77 1.111 3.367 9.112 1.00 0.00 C ATOM 1278 CG GLU A 77 1.292 3.280 10.640 1.00 0.00 C ATOM 1279 CD GLU A 77 2.736 3.228 11.139 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.382 4.290 11.281 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.179 2.135 11.558 1.00 0.00 O ATOM 0 H GLU A 77 0.221 1.063 8.895 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.981 3.732 9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.778 2.664 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.376 4.363 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.802 4.141 11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.772 2.392 10.998 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.545 4.214 6.947 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.932 4.497 5.575 1.00 0.00 C ATOM 1290 C ILE A 78 -1.236 5.786 5.146 1.00 0.00 C ATOM 1291 O ILE A 78 -1.280 6.804 5.842 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.464 4.542 5.451 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.091 3.251 6.027 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -3.863 4.689 3.974 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -4.734 3.451 7.400 1.00 0.00 C ATOM 0 H ILE A 78 -1.996 4.820 7.632 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.613 3.706 4.897 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.833 5.398 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.844 2.879 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.321 2.484 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.949 4.720 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.442 5.611 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.481 3.840 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.154 2.507 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.980 3.794 8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.527 4.195 7.326 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.588 5.730 3.988 1.00 0.00 N ATOM 1308 CA TYR A 79 0.233 6.789 3.437 1.00 0.00 C ATOM 1309 C TYR A 79 -0.326 7.210 2.081 1.00 0.00 C ATOM 1310 O TYR A 79 -0.905 6.399 1.349 1.00 0.00 O ATOM 1311 CB TYR A 79 1.665 6.279 3.305 1.00 0.00 C ATOM 1312 CG TYR A 79 2.425 6.083 4.612 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.308 4.899 5.370 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.349 7.061 5.017 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.137 4.685 6.487 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.166 6.860 6.145 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.077 5.659 6.879 1.00 0.00 C ATOM 1318 OH TYR A 79 4.868 5.429 7.963 1.00 0.00 O ATOM 0 H TYR A 79 -0.625 4.908 3.386 1.00 0.00 H new ATOM 0 HA TYR A 79 0.227 7.659 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.644 5.328 2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.224 6.979 2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.578 4.153 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.433 7.979 4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.052 3.766 7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.863 7.627 6.449 1.00 0.00 H new ATOM 0 HH TYR A 79 5.463 6.195 8.102 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.161 8.491 1.765 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.617 9.092 0.533 1.00 0.00 C ATOM 1330 C HIS A 80 0.392 8.781 -0.565 1.00 0.00 C ATOM 1331 O HIS A 80 1.597 8.754 -0.312 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.780 10.605 0.723 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.627 11.216 -0.361 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.209 12.101 -1.327 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.935 10.914 -0.611 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.246 12.299 -2.162 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.319 11.616 -1.755 1.00 0.00 N ATOM 0 H HIS A 80 0.309 9.152 2.383 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.587 8.684 0.248 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.234 10.803 1.694 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.202 11.079 0.728 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.559 10.252 -0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.215 12.925 -3.041 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.240 11.609 -2.194 1.00 0.00 H new ATOM 1345 N ALA A 81 -0.099 8.561 -1.782 1.00 0.00 N ATOM 1346 CA ALA A 81 0.745 8.430 -2.952 1.00 0.00 C ATOM 1347 C ALA A 81 1.057 9.816 -3.507 1.00 0.00 C ATOM 1348 O ALA A 81 0.171 10.538 -3.977 1.00 0.00 O ATOM 1349 CB ALA A 81 0.077 7.554 -4.009 1.00 0.00 C ATOM 0 H ALA A 81 -1.096 8.469 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 81 1.678 7.943 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.730 7.471 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.107 6.562 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.870 8.003 -4.308 1.00 0.00 H new ATOM 1355 N GLU A 82 2.335 10.168 -3.489 1.00 0.00 N ATOM 1356 CA GLU A 82 2.912 11.259 -4.247 1.00 0.00 C ATOM 1357 C GLU A 82 2.929 10.860 -5.723 1.00 0.00 C ATOM 1358 O GLU A 82 3.951 10.418 -6.251 1.00 0.00 O ATOM 1359 CB GLU A 82 4.324 11.551 -3.709 1.00 0.00 C ATOM 1360 CG GLU A 82 4.287 12.549 -2.551 1.00 0.00 C ATOM 1361 CD GLU A 82 3.865 13.927 -3.056 1.00 0.00 C ATOM 1362 OE1 GLU A 82 4.569 14.485 -3.937 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.834 14.463 -2.602 1.00 0.00 O ATOM 0 H GLU A 82 3.024 9.677 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 82 2.325 12.172 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.787 10.622 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.946 11.947 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.590 12.205 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.269 12.610 -2.083 1.00 0.00 H new ATOM 1370 N GLY A 83 1.790 10.978 -6.402 1.00 0.00 N ATOM 1371 CA GLY A 83 1.709 10.781 -7.840 1.00 0.00 C ATOM 1372 C GLY A 83 1.222 9.409 -8.247 1.00 0.00 C ATOM 1373 O GLY A 83 0.706 8.634 -7.445 1.00 0.00 O ATOM 0 H GLY A 83 0.898 11.213 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.041 11.532 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.694 10.949 -8.275 1.00 0.00 H new ATOM 1377 N ASP A 84 1.306 9.170 -9.551 1.00 0.00 N ATOM 1378 CA ASP A 84 0.940 7.918 -10.207 1.00 0.00 C ATOM 1379 C ASP A 84 2.129 6.956 -10.221 1.00 0.00 C ATOM 1380 O ASP A 84 1.965 5.761 -10.486 1.00 0.00 O ATOM 1381 CB ASP A 84 0.498 8.198 -11.656 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.821 8.971 -11.836 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -1.213 9.800 -10.976 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.472 8.789 -12.884 1.00 0.00 O ATOM 0 H ASP A 84 1.645 9.872 -10.208 1.00 0.00 H new ATOM 0 HA ASP A 84 0.119 7.463 -9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.291 8.757 -12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.408 7.244 -12.175 1.00 0.00 H new ATOM 1389 N ASP A 85 3.320 7.487 -9.933 1.00 0.00 N ATOM 1390 CA ASP A 85 4.578 6.778 -10.103 1.00 0.00 C ATOM 1391 C ASP A 85 4.831 5.871 -8.908 1.00 0.00 C ATOM 1392 O ASP A 85 5.266 6.330 -7.850 1.00 0.00 O ATOM 1393 CB ASP A 85 5.752 7.743 -10.270 1.00 0.00 C ATOM 1394 CG ASP A 85 7.015 7.081 -10.799 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.121 5.836 -10.744 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.892 7.847 -11.265 1.00 0.00 O ATOM 0 H ASP A 85 3.433 8.434 -9.571 1.00 0.00 H new ATOM 0 HA ASP A 85 4.499 6.180 -11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.460 8.543 -10.950 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.970 8.206 -9.308 1.00 0.00 H new ATOM 1401 N VAL A 86 4.561 4.582 -9.070 1.00 0.00 N ATOM 1402 CA VAL A 86 4.927 3.547 -8.111 1.00 0.00 C ATOM 1403 C VAL A 86 6.383 3.739 -7.680 1.00 0.00 C ATOM 1404 O VAL A 86 6.651 3.744 -6.485 1.00 0.00 O ATOM 1405 CB VAL A 86 4.706 2.142 -8.717 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.219 1.027 -7.791 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.225 1.885 -9.033 1.00 0.00 C ATOM 0 H VAL A 86 4.072 4.219 -9.888 1.00 0.00 H new ATOM 0 HA VAL A 86 4.289 3.631 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 86 5.279 2.123 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.043 0.057 -8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.287 1.159 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.691 1.073 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.111 0.887 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.639 1.959 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.872 2.626 -9.750 1.00 0.00 H new ATOM 1417 N ASP A 87 7.312 3.911 -8.615 1.00 0.00 N ATOM 1418 CA ASP A 87 8.737 3.886 -8.309 1.00 0.00 C ATOM 1419 C ASP A 87 9.130 5.114 -7.492 1.00 0.00 C ATOM 1420 O ASP A 87 9.872 4.990 -6.511 1.00 0.00 O ATOM 1421 CB ASP A 87 9.590 3.768 -9.577 1.00 0.00 C ATOM 1422 CG ASP A 87 9.442 2.394 -10.230 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.529 2.222 -11.060 1.00 0.00 O ATOM 1424 OD2 ASP A 87 10.246 1.478 -9.912 1.00 0.00 O ATOM 0 H ASP A 87 7.100 4.071 -9.600 1.00 0.00 H new ATOM 0 HA ASP A 87 8.932 2.997 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.297 4.542 -10.286 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.637 3.943 -9.329 1.00 0.00 H new ATOM 1429 N LYS A 88 8.568 6.289 -7.823 1.00 0.00 N ATOM 1430 CA LYS A 88 8.741 7.489 -6.998 1.00 0.00 C ATOM 1431 C LYS A 88 8.266 7.219 -5.574 1.00 0.00 C ATOM 1432 O LYS A 88 8.901 7.637 -4.612 1.00 0.00 O ATOM 1433 CB LYS A 88 7.964 8.661 -7.628 1.00 0.00 C ATOM 1434 CG LYS A 88 8.123 10.053 -6.993 1.00 0.00 C ATOM 1435 CD LYS A 88 9.570 10.450 -6.683 1.00 0.00 C ATOM 1436 CE LYS A 88 9.962 11.858 -7.142 1.00 0.00 C ATOM 1437 NZ LYS A 88 9.217 12.962 -6.499 1.00 0.00 N ATOM 0 H LYS A 88 7.993 6.430 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 88 9.797 7.755 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.260 8.735 -8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.904 8.406 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.692 10.796 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.545 10.085 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.730 10.376 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.239 9.730 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.026 12.001 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.818 11.924 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.553 13.872 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.202 12.858 -6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.372 12.933 -5.471 1.00 0.00 H new ATOM 1451 N ASN A 89 7.140 6.524 -5.436 1.00 0.00 N ATOM 1452 CA ASN A 89 6.506 6.287 -4.149 1.00 0.00 C ATOM 1453 C ASN A 89 7.237 5.235 -3.333 1.00 0.00 C ATOM 1454 O ASN A 89 7.295 5.358 -2.116 1.00 0.00 O ATOM 1455 CB ASN A 89 5.045 5.899 -4.364 1.00 0.00 C ATOM 1456 CG ASN A 89 4.248 7.176 -4.516 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.829 7.775 -3.540 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.135 7.680 -5.727 1.00 0.00 N ATOM 0 H ASN A 89 6.641 6.108 -6.222 1.00 0.00 H new ATOM 0 HA ASN A 89 6.553 7.211 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.942 5.276 -5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.676 5.316 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.690 8.588 -5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.492 7.163 -6.530 1.00 0.00 H new ATOM 1465 N ILE A 90 7.808 4.218 -3.974 1.00 0.00 N ATOM 1466 CA ILE A 90 8.602 3.188 -3.321 1.00 0.00 C ATOM 1467 C ILE A 90 9.807 3.880 -2.678 1.00 0.00 C ATOM 1468 O ILE A 90 10.027 3.726 -1.478 1.00 0.00 O ATOM 1469 CB ILE A 90 8.976 2.078 -4.339 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.741 1.199 -4.675 1.00 0.00 C ATOM 1471 CG2 ILE A 90 10.127 1.202 -3.816 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.998 0.118 -5.733 1.00 0.00 C ATOM 0 H ILE A 90 7.728 4.087 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 90 8.047 2.677 -2.534 1.00 0.00 H new ATOM 0 HB ILE A 90 9.313 2.570 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.393 0.719 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.935 1.845 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.364 0.435 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.006 1.822 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.827 0.727 -2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.082 -0.448 -5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.315 0.588 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.780 -0.556 -5.382 1.00 0.00 H new ATOM 1484 N SER A 91 10.560 4.650 -3.465 1.00 0.00 N ATOM 1485 CA SER A 91 11.751 5.337 -2.989 1.00 0.00 C ATOM 1486 C SER A 91 11.406 6.356 -1.891 1.00 0.00 C ATOM 1487 O SER A 91 12.041 6.345 -0.834 1.00 0.00 O ATOM 1488 CB SER A 91 12.501 5.938 -4.184 1.00 0.00 C ATOM 1489 OG SER A 91 11.648 6.577 -5.127 1.00 0.00 O ATOM 0 H SER A 91 10.357 4.812 -4.451 1.00 0.00 H new ATOM 0 HA SER A 91 12.426 4.627 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.231 6.660 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.059 5.148 -4.687 1.00 0.00 H new ATOM 0 HG SER A 91 11.173 5.898 -5.651 1.00 0.00 H new ATOM 1495 N LEU A 92 10.362 7.173 -2.098 1.00 0.00 N ATOM 1496 CA LEU A 92 9.914 8.146 -1.097 1.00 0.00 C ATOM 1497 C LEU A 92 9.537 7.439 0.207 1.00 0.00 C ATOM 1498 O LEU A 92 9.808 7.956 1.288 1.00 0.00 O ATOM 1499 CB LEU A 92 8.694 8.940 -1.603 1.00 0.00 C ATOM 1500 CG LEU A 92 8.980 10.088 -2.589 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.667 10.569 -3.214 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.652 11.277 -1.898 1.00 0.00 C ATOM 0 H LEU A 92 9.811 7.177 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 92 10.740 8.834 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.008 8.242 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.175 9.354 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 92 9.655 9.702 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.872 11.381 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.194 9.744 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.999 10.924 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.837 12.065 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.000 11.657 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.598 10.957 -1.462 1.00 0.00 H new ATOM 1514 N PHE A 93 8.883 6.281 0.121 1.00 0.00 N ATOM 1515 CA PHE A 93 8.441 5.527 1.278 1.00 0.00 C ATOM 1516 C PHE A 93 9.615 4.990 2.083 1.00 0.00 C ATOM 1517 O PHE A 93 9.623 5.152 3.302 1.00 0.00 O ATOM 1518 CB PHE A 93 7.558 4.363 0.841 1.00 0.00 C ATOM 1519 CG PHE A 93 7.263 3.411 1.973 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.690 3.889 3.163 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.626 2.061 1.862 1.00 0.00 C ATOM 1522 CE1 PHE A 93 6.326 2.993 4.180 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.316 1.172 2.900 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.612 1.628 4.030 1.00 0.00 C ATOM 0 H PHE A 93 8.646 5.841 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 93 7.873 6.208 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.621 4.751 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.049 3.821 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.529 4.949 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.142 1.708 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.830 3.351 5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.617 0.137 2.833 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.291 0.925 4.784 1.00 0.00 H new ATOM 1534 N ILE A 94 10.570 4.324 1.429 1.00 0.00 N ATOM 1535 CA ILE A 94 11.737 3.735 2.071 1.00 0.00 C ATOM 1536 C ILE A 94 12.480 4.808 2.884 1.00 0.00 C ATOM 1537 O ILE A 94 12.977 4.498 3.969 1.00 0.00 O ATOM 1538 CB ILE A 94 12.626 3.050 1.001 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.913 1.809 0.413 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.979 2.602 1.579 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.487 1.363 -0.938 1.00 0.00 C ATOM 0 H ILE A 94 10.549 4.179 0.420 1.00 0.00 H new ATOM 0 HA ILE A 94 11.438 2.960 2.777 1.00 0.00 H new ATOM 0 HB ILE A 94 12.802 3.791 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.989 0.985 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.852 2.030 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.570 2.127 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.516 3.469 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.812 1.891 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.942 0.489 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.386 2.172 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.541 1.111 -0.820 1.00 0.00 H new ATOM 1553 N GLU A 95 12.536 6.048 2.392 1.00 0.00 N ATOM 1554 CA GLU A 95 13.160 7.191 3.061 1.00 0.00 C ATOM 1555 C GLU A 95 12.232 7.887 4.070 1.00 0.00 C ATOM 1556 O GLU A 95 12.660 8.788 4.796 1.00 0.00 O ATOM 1557 CB GLU A 95 13.638 8.166 1.980 1.00 0.00 C ATOM 1558 CG GLU A 95 14.929 7.655 1.317 1.00 0.00 C ATOM 1559 CD GLU A 95 16.174 8.305 1.929 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.566 7.983 3.076 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.730 9.227 1.286 1.00 0.00 O ATOM 0 H GLU A 95 12.135 6.292 1.487 1.00 0.00 H new ATOM 0 HA GLU A 95 14.001 6.830 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.861 8.290 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.814 9.147 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.992 6.572 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.897 7.865 0.248 1.00 0.00 H new ATOM 1568 N GLY A 96 10.968 7.476 4.155 1.00 0.00 N ATOM 1569 CA GLY A 96 10.025 7.924 5.163 1.00 0.00 C ATOM 1570 C GLY A 96 9.317 9.220 4.786 1.00 0.00 C ATOM 1571 O GLY A 96 8.520 9.695 5.596 1.00 0.00 O ATOM 0 H GLY A 96 10.566 6.803 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.281 7.145 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.551 8.066 6.107 1.00 0.00 H new ATOM 1575 N GLU A 97 9.557 9.767 3.589 1.00 0.00 N ATOM 1576 CA GLU A 97 9.032 11.046 3.127 1.00 0.00 C ATOM 1577 C GLU A 97 7.519 11.048 2.868 1.00 0.00 C ATOM 1578 O GLU A 97 6.899 12.109 2.992 1.00 0.00 O ATOM 1579 CB GLU A 97 9.779 11.444 1.839 1.00 0.00 C ATOM 1580 CG GLU A 97 10.690 12.663 2.007 1.00 0.00 C ATOM 1581 CD GLU A 97 9.932 13.999 1.996 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.233 14.315 2.985 1.00 0.00 O ATOM 1583 OE2 GLU A 97 10.088 14.805 1.044 1.00 0.00 O ATOM 0 H GLU A 97 10.145 9.309 2.893 1.00 0.00 H new ATOM 0 HA GLU A 97 9.196 11.766 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.378 10.598 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.050 11.652 1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.237 12.572 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.430 12.667 1.207 1.00 0.00 H new ATOM 1590 N LEU A 98 6.912 9.912 2.492 1.00 0.00 N ATOM 1591 CA LEU A 98 5.489 9.909 2.115 1.00 0.00 C ATOM 1592 C LEU A 98 4.626 10.367 3.276 1.00 0.00 C ATOM 1593 O LEU A 98 4.839 9.973 4.426 1.00 0.00 O ATOM 1594 CB LEU A 98 4.960 8.552 1.620 1.00 0.00 C ATOM 1595 CG LEU A 98 5.457 8.099 0.240 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.716 6.818 -0.152 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.223 9.145 -0.855 1.00 0.00 C ATOM 0 H LEU A 98 7.371 9.003 2.441 1.00 0.00 H new ATOM 0 HA LEU A 98 5.424 10.602 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.232 7.790 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.871 8.596 1.596 1.00 0.00 H new ATOM 0 HG LEU A 98 6.533 7.941 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.059 6.484 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.916 6.042 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.645 7.015 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.596 8.765 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.156 9.351 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.751 10.064 -0.599 1.00 0.00 H new ATOM 1609 N SER A 99 3.642 11.196 2.959 1.00 0.00 N ATOM 1610 CA SER A 99 2.784 11.834 3.926 1.00 0.00 C ATOM 1611 C SER A 99 1.725 10.852 4.406 1.00 0.00 C ATOM 1612 O SER A 99 1.075 10.176 3.605 1.00 0.00 O ATOM 1613 CB SER A 99 2.232 13.109 3.289 1.00 0.00 C ATOM 1614 OG SER A 99 1.612 12.887 2.034 1.00 0.00 O ATOM 0 H SER A 99 3.419 11.445 1.995 1.00 0.00 H new ATOM 0 HA SER A 99 3.323 12.130 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.510 13.562 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.044 13.825 3.163 1.00 0.00 H new ATOM 0 HG SER A 99 1.278 13.737 1.679 1.00 0.00 H new ATOM 1620 N LYS A 100 1.547 10.725 5.722 1.00 0.00 N ATOM 1621 CA LYS A 100 0.504 9.846 6.239 1.00 0.00 C ATOM 1622 C LYS A 100 -0.863 10.468 5.983 1.00 0.00 C ATOM 1623 O LYS A 100 -1.013 11.694 5.999 1.00 0.00 O ATOM 1624 CB LYS A 100 0.743 9.505 7.710 1.00 0.00 C ATOM 1625 CG LYS A 100 2.028 8.675 7.813 1.00 0.00 C ATOM 1626 CD LYS A 100 2.425 8.215 9.213 1.00 0.00 C ATOM 1627 CE LYS A 100 1.508 7.116 9.754 1.00 0.00 C ATOM 1628 NZ LYS A 100 0.330 7.664 10.447 1.00 0.00 N ATOM 0 H LYS A 100 2.098 11.208 6.432 1.00 0.00 H new ATOM 0 HA LYS A 100 0.535 8.895 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.832 10.417 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.102 8.946 8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.917 7.793 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.848 9.262 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.452 7.849 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.403 9.068 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.180 6.481 8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.069 6.483 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.222 7.197 11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.455 8.687 10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.520 7.496 9.872 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.867 9.624 5.781 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.247 10.036 5.595 1.00 0.00 C ATOM 1644 C ILE A 101 -3.887 10.151 6.985 1.00 0.00 C ATOM 1645 O ILE A 101 -3.653 9.310 7.864 1.00 0.00 O ATOM 1646 CB ILE A 101 -3.946 9.024 4.656 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.369 9.138 3.224 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.457 9.245 4.629 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.104 8.328 2.144 1.00 0.00 C ATOM 0 H ILE A 101 -1.739 8.613 5.742 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.339 11.009 5.113 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.757 8.022 5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.375 10.188 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.327 8.819 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.919 8.519 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.861 9.122 5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.671 10.253 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.617 8.480 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.076 7.269 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.141 8.659 2.083 1.00 0.00 H new