USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 69 LYS NZ :NH3+ -145:sc= 0.11 (180deg=-0.0723) USER MOD Set 1.2: A 71 TYR OH : rot 0:sc= 0.13 USER MOD Set 2.1: A 25 TYR OH : rot -38:sc= 0.779 USER MOD Set 2.2: A 29 THR OG1 : rot -57:sc= 1.54 USER MOD Set 2.3: A 57 THR OG1 : rot -75:sc= 0.0731 USER MOD Set 2.4: A 64 SER OG : rot 180:sc= -0.478 USER MOD Single : A 1 MET CE :methyl -139:sc= -1.46 (180deg=-7.87!) USER MOD Single : A 1 MET N :NH3+ -134:sc= 1.09 (180deg=0.131!) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.261) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.36 K(o=-1.4,f=-7!) USER MOD Single : A 15 ASN : amide:sc= -2.28! C(o=-2.3!,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 37 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 157:sc= 0 (180deg=-0.168) USER MOD Single : A 44 ASN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= -0.0724 (180deg=-0.639) USER MOD Single : A 67 TYR OH : rot 110:sc= 0.287 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.410 -10.265 8.369 1.00 0.00 N ATOM 2 CA MET A 1 -11.019 -10.640 8.556 1.00 0.00 C ATOM 3 C MET A 1 -10.484 -10.116 9.890 1.00 0.00 C ATOM 4 O MET A 1 -11.235 -9.560 10.689 1.00 0.00 O ATOM 5 CB MET A 1 -10.179 -10.073 7.410 1.00 0.00 C ATOM 6 CG MET A 1 -10.234 -8.544 7.395 1.00 0.00 C ATOM 7 SD MET A 1 -11.782 -7.996 6.697 1.00 0.00 S ATOM 8 CE MET A 1 -11.659 -6.242 7.008 1.00 0.00 C ATOM 0 H1 MET A 1 -12.950 -11.090 8.038 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.804 -9.933 9.272 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.472 -9.504 7.663 1.00 0.00 H new ATOM 0 HA MET A 1 -10.953 -11.728 8.563 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.145 -10.402 7.514 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.543 -10.463 6.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.126 -8.158 8.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.402 -8.148 6.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.626 -5.862 7.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.915 -6.061 7.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.361 -5.730 6.093 1.00 0.00 H new ATOM 18 N ASP A 2 -9.188 -10.311 10.089 1.00 0.00 N ATOM 19 CA ASP A 2 -8.544 -9.865 11.312 1.00 0.00 C ATOM 20 C ASP A 2 -7.491 -8.809 10.973 1.00 0.00 C ATOM 21 O ASP A 2 -6.669 -9.011 10.080 1.00 0.00 O ATOM 22 CB ASP A 2 -7.839 -11.025 12.018 1.00 0.00 C ATOM 23 CG ASP A 2 -8.387 -11.367 13.405 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.576 -11.749 13.467 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.605 -11.240 14.372 1.00 0.00 O ATOM 0 H ASP A 2 -8.567 -10.772 9.424 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.313 -9.457 11.968 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.910 -11.911 11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.780 -10.784 12.112 1.00 0.00 H new ATOM 30 N ILE A 3 -7.550 -7.704 11.703 1.00 0.00 N ATOM 31 CA ILE A 3 -6.611 -6.615 11.490 1.00 0.00 C ATOM 32 C ILE A 3 -5.730 -6.457 12.730 1.00 0.00 C ATOM 33 O ILE A 3 -6.199 -6.627 13.855 1.00 0.00 O ATOM 34 CB ILE A 3 -7.354 -5.337 11.096 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.120 -5.529 9.786 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.398 -4.145 11.031 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.506 -4.181 9.173 1.00 0.00 C ATOM 0 H ILE A 3 -8.233 -7.540 12.442 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.948 -6.841 10.655 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.090 -5.118 11.870 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.507 -6.091 9.081 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.018 -6.120 9.969 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.952 -3.250 10.749 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.937 -3.994 12.007 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.623 -4.340 10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.049 -4.347 8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.139 -3.632 9.870 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.605 -3.603 8.969 1.00 0.00 H new ATOM 49 N LYS A 4 -4.469 -6.134 12.484 1.00 0.00 N ATOM 50 CA LYS A 4 -3.518 -5.951 13.567 1.00 0.00 C ATOM 51 C LYS A 4 -2.709 -4.676 13.321 1.00 0.00 C ATOM 52 O LYS A 4 -1.882 -4.628 12.411 1.00 0.00 O ATOM 53 CB LYS A 4 -2.655 -7.203 13.740 1.00 0.00 C ATOM 54 CG LYS A 4 -1.695 -7.374 12.561 1.00 0.00 C ATOM 55 CD LYS A 4 -1.075 -8.773 12.557 1.00 0.00 C ATOM 56 CE LYS A 4 0.431 -8.706 12.818 1.00 0.00 C ATOM 57 NZ LYS A 4 1.167 -9.497 11.807 1.00 0.00 N ATOM 0 H LYS A 4 -4.084 -5.994 11.550 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.041 -5.819 14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.088 -7.133 14.668 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.295 -8.082 13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.229 -7.206 11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.907 -6.623 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.553 -9.389 13.319 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.260 -9.254 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.765 -7.669 12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.651 -9.086 13.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.175 -9.244 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.058 -10.511 12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.785 -9.293 10.861 1.00 0.00 H new ATOM 71 N ILE A 5 -2.977 -3.675 14.146 1.00 0.00 N ATOM 72 CA ILE A 5 -2.284 -2.403 14.029 1.00 0.00 C ATOM 73 C ILE A 5 -0.783 -2.625 14.227 1.00 0.00 C ATOM 74 O ILE A 5 -0.342 -2.973 15.321 1.00 0.00 O ATOM 75 CB ILE A 5 -2.886 -1.375 14.989 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.353 -1.102 14.651 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.054 -0.091 15.009 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.210 -1.066 15.917 1.00 0.00 C ATOM 0 H ILE A 5 -3.664 -3.719 14.898 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.416 -1.987 13.030 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.860 -1.792 15.996 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.438 -0.152 14.123 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.725 -1.875 13.978 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.503 0.623 15.699 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.039 -0.320 15.334 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.026 0.340 14.008 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.248 -0.870 15.648 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.143 -2.026 16.429 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.851 -0.276 16.577 1.00 0.00 H new ATOM 90 N ILE A 6 -0.039 -2.413 13.151 1.00 0.00 N ATOM 91 CA ILE A 6 1.403 -2.585 13.193 1.00 0.00 C ATOM 92 C ILE A 6 2.032 -1.405 13.935 1.00 0.00 C ATOM 93 O ILE A 6 2.464 -1.545 15.078 1.00 0.00 O ATOM 94 CB ILE A 6 1.959 -2.791 11.782 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.555 -4.159 11.228 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.475 -2.587 11.755 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.408 -5.272 11.839 1.00 0.00 C ATOM 0 H ILE A 6 -0.408 -2.124 12.245 1.00 0.00 H new ATOM 0 HA ILE A 6 1.663 -3.486 13.748 1.00 0.00 H new ATOM 0 HB ILE A 6 1.521 -2.037 11.129 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.502 -4.345 11.440 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.667 -4.164 10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.845 -2.739 10.741 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.712 -1.574 12.079 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.950 -3.303 12.426 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.100 -6.234 11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.458 -5.096 11.604 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.275 -5.280 12.921 1.00 0.00 H new ATOM 109 N LYS A 7 2.063 -0.268 13.255 1.00 0.00 N ATOM 110 CA LYS A 7 2.632 0.936 13.836 1.00 0.00 C ATOM 111 C LYS A 7 1.736 2.131 13.502 1.00 0.00 C ATOM 112 O LYS A 7 0.937 2.070 12.569 1.00 0.00 O ATOM 113 CB LYS A 7 4.084 1.112 13.389 1.00 0.00 C ATOM 114 CG LYS A 7 5.051 0.531 14.423 1.00 0.00 C ATOM 115 CD LYS A 7 6.301 1.403 14.557 1.00 0.00 C ATOM 116 CE LYS A 7 6.237 2.262 15.822 1.00 0.00 C ATOM 117 NZ LYS A 7 6.298 3.700 15.475 1.00 0.00 N ATOM 0 H LYS A 7 1.703 -0.155 12.307 1.00 0.00 H new ATOM 0 HA LYS A 7 2.665 0.856 14.923 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.235 0.620 12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.297 2.171 13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.552 0.454 15.389 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.338 -0.479 14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.188 0.771 14.587 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.396 2.045 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.316 2.052 16.365 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.064 2.006 16.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.253 4.269 16.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.188 3.899 14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.495 3.943 14.861 1.00 0.00 H new ATOM 131 N ASP A 8 1.901 3.190 14.281 1.00 0.00 N ATOM 132 CA ASP A 8 1.118 4.397 14.079 1.00 0.00 C ATOM 133 C ASP A 8 2.058 5.600 13.981 1.00 0.00 C ATOM 134 O ASP A 8 2.690 5.979 14.966 1.00 0.00 O ATOM 135 CB ASP A 8 0.163 4.636 15.250 1.00 0.00 C ATOM 136 CG ASP A 8 -0.155 6.106 15.535 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.098 6.896 14.569 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.447 6.405 16.713 1.00 0.00 O ATOM 0 H ASP A 8 2.566 3.237 15.053 1.00 0.00 H new ATOM 0 HA ASP A 8 0.541 4.275 13.162 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.771 4.110 15.051 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.594 4.192 16.147 1.00 0.00 H new ATOM 143 N LYS A 9 2.121 6.166 12.785 1.00 0.00 N ATOM 144 CA LYS A 9 2.974 7.318 12.547 1.00 0.00 C ATOM 145 C LYS A 9 2.101 8.551 12.302 1.00 0.00 C ATOM 146 O LYS A 9 1.044 8.454 11.680 1.00 0.00 O ATOM 147 CB LYS A 9 3.961 7.029 11.415 1.00 0.00 C ATOM 148 CG LYS A 9 4.537 8.327 10.844 1.00 0.00 C ATOM 149 CD LYS A 9 6.018 8.164 10.498 1.00 0.00 C ATOM 150 CE LYS A 9 6.433 9.137 9.393 1.00 0.00 C ATOM 151 NZ LYS A 9 7.352 10.167 9.928 1.00 0.00 N ATOM 0 H LYS A 9 1.595 5.849 11.970 1.00 0.00 H new ATOM 0 HA LYS A 9 3.585 7.528 13.425 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.770 6.400 11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.460 6.471 10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.981 8.614 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.416 9.132 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.624 8.338 11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.210 7.140 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.919 8.592 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.549 9.614 8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.624 10.819 9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.875 10.698 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.203 9.708 10.311 1.00 0.00 H new ATOM 165 N LYS A 10 2.576 9.682 12.803 1.00 0.00 N ATOM 166 CA LYS A 10 1.852 10.932 12.646 1.00 0.00 C ATOM 167 C LYS A 10 2.661 11.876 11.754 1.00 0.00 C ATOM 168 O LYS A 10 3.891 11.851 11.772 1.00 0.00 O ATOM 169 CB LYS A 10 1.505 11.525 14.013 1.00 0.00 C ATOM 170 CG LYS A 10 0.081 12.084 14.023 1.00 0.00 C ATOM 171 CD LYS A 10 0.047 13.489 14.627 1.00 0.00 C ATOM 172 CE LYS A 10 -1.283 14.184 14.326 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.312 15.533 14.933 1.00 0.00 N ATOM 0 H LYS A 10 3.453 9.759 13.318 1.00 0.00 H new ATOM 0 HA LYS A 10 0.898 10.760 12.147 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.604 10.758 14.782 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.212 12.317 14.260 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.309 12.112 13.006 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.569 11.422 14.596 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.194 13.429 15.705 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.870 14.081 14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.424 14.261 13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.108 13.587 14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.221 15.990 14.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.199 15.452 15.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.536 16.106 14.543 1.00 0.00 H new ATOM 187 N ASN A 11 1.938 12.686 10.995 1.00 0.00 N ATOM 188 CA ASN A 11 2.572 13.636 10.098 1.00 0.00 C ATOM 189 C ASN A 11 1.779 14.944 10.102 1.00 0.00 C ATOM 190 O ASN A 11 0.815 15.092 9.352 1.00 0.00 O ATOM 191 CB ASN A 11 2.600 13.105 8.663 1.00 0.00 C ATOM 192 CG ASN A 11 3.428 14.018 7.756 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.029 14.987 8.190 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.425 13.655 6.477 1.00 0.00 N ATOM 0 H ASN A 11 0.918 12.704 10.983 1.00 0.00 H new ATOM 0 HA ASN A 11 3.593 13.795 10.444 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.019 12.099 8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.583 13.031 8.279 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.948 14.200 5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.900 12.832 6.182 1.00 0.00 H new ATOM 201 N PRO A 12 2.224 15.883 10.979 1.00 0.00 N ATOM 202 CA PRO A 12 1.566 17.174 11.091 1.00 0.00 C ATOM 203 C PRO A 12 1.912 18.071 9.901 1.00 0.00 C ATOM 204 O PRO A 12 1.246 19.078 9.664 1.00 0.00 O ATOM 205 CB PRO A 12 2.039 17.742 12.420 1.00 0.00 C ATOM 206 CG PRO A 12 3.295 16.966 12.782 1.00 0.00 C ATOM 207 CD PRO A 12 3.362 15.742 11.883 1.00 0.00 C ATOM 0 HA PRO A 12 0.479 17.095 11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.249 18.808 12.336 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.274 17.627 13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.180 17.588 12.647 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.271 16.669 13.830 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.302 15.706 11.333 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.296 14.821 12.462 1.00 0.00 H new ATOM 215 N LEU A 13 2.952 17.673 9.184 1.00 0.00 N ATOM 216 CA LEU A 13 3.394 18.429 8.024 1.00 0.00 C ATOM 217 C LEU A 13 2.288 18.425 6.966 1.00 0.00 C ATOM 218 O LEU A 13 1.790 19.481 6.580 1.00 0.00 O ATOM 219 CB LEU A 13 4.734 17.893 7.514 1.00 0.00 C ATOM 220 CG LEU A 13 5.861 17.815 8.546 1.00 0.00 C ATOM 221 CD1 LEU A 13 7.111 17.170 7.945 1.00 0.00 C ATOM 222 CD2 LEU A 13 6.157 19.193 9.141 1.00 0.00 C ATOM 0 H LEU A 13 3.502 16.837 9.383 1.00 0.00 H new ATOM 0 HA LEU A 13 3.574 19.470 8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.572 16.895 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.066 18.525 6.690 1.00 0.00 H new ATOM 0 HG LEU A 13 5.530 17.176 9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.897 17.127 8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.874 16.160 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.454 17.763 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.962 19.109 9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.458 19.875 8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.262 19.578 9.630 1.00 0.00 H new ATOM 234 N LEU A 14 1.937 17.225 6.528 1.00 0.00 N ATOM 235 CA LEU A 14 0.899 17.069 5.523 1.00 0.00 C ATOM 236 C LEU A 14 -0.472 17.116 6.200 1.00 0.00 C ATOM 237 O LEU A 14 -1.482 17.372 5.547 1.00 0.00 O ATOM 238 CB LEU A 14 1.136 15.801 4.700 1.00 0.00 C ATOM 239 CG LEU A 14 2.488 15.706 3.989 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.617 14.382 3.233 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.713 16.912 3.075 1.00 0.00 C ATOM 0 H LEU A 14 2.353 16.351 6.851 1.00 0.00 H new ATOM 0 HA LEU A 14 0.931 17.894 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.033 14.939 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.348 15.725 3.951 1.00 0.00 H new ATOM 0 HG LEU A 14 3.274 15.724 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.586 14.339 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.532 13.552 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.824 14.310 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.681 16.819 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.925 16.951 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.694 17.826 3.668 1.00 0.00 H new ATOM 253 N ASN A 15 -0.462 16.864 7.501 1.00 0.00 N ATOM 254 CA ASN A 15 -1.693 16.874 8.274 1.00 0.00 C ATOM 255 C ASN A 15 -2.404 15.530 8.109 1.00 0.00 C ATOM 256 O ASN A 15 -3.633 15.470 8.103 1.00 0.00 O ATOM 257 CB ASN A 15 -2.640 17.973 7.787 1.00 0.00 C ATOM 258 CG ASN A 15 -3.544 18.460 8.922 1.00 0.00 C ATOM 259 OD1 ASN A 15 -4.740 18.222 8.943 1.00 0.00 O ATOM 260 ND2 ASN A 15 -2.906 19.153 9.861 1.00 0.00 N ATOM 0 H ASN A 15 0.378 16.652 8.039 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.435 17.056 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.061 18.809 7.394 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.251 17.595 6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.420 19.522 10.661 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.902 19.316 9.781 1.00 0.00 H new ATOM 267 N ARG A 16 -1.602 14.484 7.980 1.00 0.00 N ATOM 268 CA ARG A 16 -2.139 13.144 7.816 1.00 0.00 C ATOM 269 C ARG A 16 -1.580 12.212 8.893 1.00 0.00 C ATOM 270 O ARG A 16 -0.879 12.657 9.801 1.00 0.00 O ATOM 271 CB ARG A 16 -1.798 12.579 6.435 1.00 0.00 C ATOM 272 CG ARG A 16 -0.293 12.336 6.299 1.00 0.00 C ATOM 273 CD ARG A 16 0.113 12.223 4.828 1.00 0.00 C ATOM 274 NE ARG A 16 1.422 11.543 4.715 1.00 0.00 N ATOM 275 CZ ARG A 16 1.985 11.184 3.554 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.355 11.436 2.398 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.177 10.571 3.547 1.00 0.00 N ATOM 0 H ARG A 16 -0.583 14.537 7.986 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.223 13.207 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.337 11.645 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.129 13.273 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.255 13.152 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.019 11.422 6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.644 11.667 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.170 13.215 4.381 1.00 0.00 H new ATOM 0 HE ARG A 16 1.928 11.334 5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.447 11.901 2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.783 11.163 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.656 10.378 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.605 10.298 2.662 1.00 0.00 H new ATOM 291 N ARG A 17 -1.911 10.936 8.757 1.00 0.00 N ATOM 292 CA ARG A 17 -1.452 9.938 9.707 1.00 0.00 C ATOM 293 C ARG A 17 -1.147 8.622 8.989 1.00 0.00 C ATOM 294 O ARG A 17 -2.006 8.075 8.298 1.00 0.00 O ATOM 295 CB ARG A 17 -2.499 9.688 10.794 1.00 0.00 C ATOM 296 CG ARG A 17 -1.862 9.708 12.185 1.00 0.00 C ATOM 297 CD ARG A 17 -2.422 8.585 13.061 1.00 0.00 C ATOM 298 NE ARG A 17 -3.084 9.157 14.255 1.00 0.00 N ATOM 299 CZ ARG A 17 -2.444 9.472 15.389 1.00 0.00 C ATOM 300 NH1 ARG A 17 -1.124 9.272 15.492 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.126 9.986 16.422 1.00 0.00 N ATOM 0 H ARG A 17 -2.492 10.571 8.002 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.544 10.319 10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.277 10.449 10.736 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.981 8.725 10.625 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.781 9.600 12.095 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.047 10.671 12.660 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.134 7.989 12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.618 7.915 13.366 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.090 9.322 14.212 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.605 8.880 14.707 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.638 9.512 16.356 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.132 10.137 16.344 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.639 10.226 17.286 1.00 0.00 H new ATOM 315 N GLU A 18 0.077 8.151 9.177 1.00 0.00 N ATOM 316 CA GLU A 18 0.505 6.910 8.556 1.00 0.00 C ATOM 317 C GLU A 18 0.335 5.742 9.530 1.00 0.00 C ATOM 318 O GLU A 18 1.056 5.647 10.522 1.00 0.00 O ATOM 319 CB GLU A 18 1.952 7.011 8.068 1.00 0.00 C ATOM 320 CG GLU A 18 2.142 8.230 7.164 1.00 0.00 C ATOM 321 CD GLU A 18 1.492 8.006 5.797 1.00 0.00 C ATOM 322 OE1 GLU A 18 1.760 6.935 5.210 1.00 0.00 O ATOM 323 OE2 GLU A 18 0.742 8.910 5.370 1.00 0.00 O ATOM 0 H GLU A 18 0.786 8.607 9.751 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.125 6.726 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.624 7.080 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.220 6.105 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.707 9.110 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.206 8.430 7.036 1.00 0.00 H new ATOM 330 N LEU A 19 -0.623 4.883 9.213 1.00 0.00 N ATOM 331 CA LEU A 19 -0.896 3.726 10.048 1.00 0.00 C ATOM 332 C LEU A 19 -0.657 2.450 9.238 1.00 0.00 C ATOM 333 O LEU A 19 -1.089 2.349 8.091 1.00 0.00 O ATOM 334 CB LEU A 19 -2.300 3.819 10.649 1.00 0.00 C ATOM 335 CG LEU A 19 -2.717 5.196 11.171 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.888 5.757 10.362 1.00 0.00 C ATOM 337 CD2 LEU A 19 -3.027 5.143 12.668 1.00 0.00 C ATOM 0 H LEU A 19 -1.219 4.965 8.390 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.212 3.698 10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.019 3.507 9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.370 3.105 11.469 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.879 5.880 11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.165 6.736 10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.595 5.854 9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.740 5.082 10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.321 6.134 13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.841 4.440 12.846 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.140 4.817 13.212 1.00 0.00 H new ATOM 349 N ASP A 20 0.030 1.508 9.868 1.00 0.00 N ATOM 350 CA ASP A 20 0.332 0.243 9.220 1.00 0.00 C ATOM 351 C ASP A 20 -0.341 -0.894 9.992 1.00 0.00 C ATOM 352 O ASP A 20 -0.368 -0.883 11.222 1.00 0.00 O ATOM 353 CB ASP A 20 1.839 -0.023 9.206 1.00 0.00 C ATOM 354 CG ASP A 20 2.558 0.404 7.925 1.00 0.00 C ATOM 355 OD1 ASP A 20 1.861 0.522 6.894 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.790 0.604 8.006 1.00 0.00 O ATOM 0 H ASP A 20 0.386 1.596 10.820 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.035 0.293 8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.293 0.497 10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.006 -1.089 9.361 1.00 0.00 H new ATOM 361 N PHE A 21 -0.869 -1.847 9.239 1.00 0.00 N ATOM 362 CA PHE A 21 -1.540 -2.989 9.837 1.00 0.00 C ATOM 363 C PHE A 21 -1.509 -4.197 8.898 1.00 0.00 C ATOM 364 O PHE A 21 -1.289 -4.049 7.697 1.00 0.00 O ATOM 365 CB PHE A 21 -2.995 -2.579 10.073 1.00 0.00 C ATOM 366 CG PHE A 21 -3.752 -2.206 8.797 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.691 -0.935 8.316 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.485 -3.146 8.142 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.393 -0.590 7.132 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.187 -2.801 6.957 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.127 -1.530 6.477 1.00 0.00 C ATOM 0 H PHE A 21 -0.846 -1.852 8.219 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.041 -3.271 10.764 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.517 -3.399 10.566 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.016 -1.730 10.757 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.108 -0.189 8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.533 -4.155 8.523 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.345 0.419 6.751 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.769 -3.548 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.662 -1.267 5.576 1.00 0.00 H new ATOM 381 N ILE A 22 -1.732 -5.365 9.482 1.00 0.00 N ATOM 382 CA ILE A 22 -1.733 -6.598 8.713 1.00 0.00 C ATOM 383 C ILE A 22 -3.143 -7.190 8.709 1.00 0.00 C ATOM 384 O ILE A 22 -3.796 -7.257 9.749 1.00 0.00 O ATOM 385 CB ILE A 22 -0.664 -7.558 9.239 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.714 -6.894 9.245 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.666 -8.867 8.448 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.197 -6.619 7.820 1.00 0.00 C ATOM 0 H ILE A 22 -1.913 -5.484 10.479 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.467 -6.400 7.675 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.906 -7.806 10.272 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.669 -5.959 9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.429 -7.537 9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.103 -9.531 8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.641 -9.346 8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.461 -8.658 7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.179 -6.147 7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.265 -7.558 7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.492 -5.956 7.319 1.00 0.00 H new ATOM 400 N VAL A 23 -3.573 -7.605 7.526 1.00 0.00 N ATOM 401 CA VAL A 23 -4.894 -8.190 7.372 1.00 0.00 C ATOM 402 C VAL A 23 -4.764 -9.711 7.265 1.00 0.00 C ATOM 403 O VAL A 23 -4.028 -10.217 6.420 1.00 0.00 O ATOM 404 CB VAL A 23 -5.607 -7.565 6.171 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.092 -7.932 6.163 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.417 -6.047 6.151 1.00 0.00 C ATOM 0 H VAL A 23 -3.029 -7.548 6.665 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.510 -7.977 8.245 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.157 -7.971 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.575 -7.475 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.199 -9.015 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.562 -7.567 7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.933 -5.627 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.828 -5.617 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.354 -5.814 6.087 1.00 0.00 H new ATOM 416 N LYS A 24 -5.492 -10.398 8.134 1.00 0.00 N ATOM 417 CA LYS A 24 -5.467 -11.850 8.148 1.00 0.00 C ATOM 418 C LYS A 24 -6.899 -12.381 8.048 1.00 0.00 C ATOM 419 O LYS A 24 -7.825 -11.786 8.596 1.00 0.00 O ATOM 420 CB LYS A 24 -4.706 -12.362 9.373 1.00 0.00 C ATOM 421 CG LYS A 24 -3.223 -12.562 9.053 1.00 0.00 C ATOM 422 CD LYS A 24 -2.406 -12.745 10.333 1.00 0.00 C ATOM 423 CE LYS A 24 -1.028 -13.333 10.024 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.988 -14.771 10.373 1.00 0.00 N ATOM 0 H LYS A 24 -6.103 -9.975 8.833 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.924 -12.230 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.812 -11.653 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.140 -13.304 9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.100 -13.434 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.848 -11.702 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.291 -11.785 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.940 -13.402 11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.799 -13.203 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.263 -12.795 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.046 -15.155 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.185 -14.888 11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.705 -15.283 9.820 1.00 0.00 H new ATOM 438 N TYR A 25 -7.035 -13.495 7.343 1.00 0.00 N ATOM 439 CA TYR A 25 -8.338 -14.113 7.164 1.00 0.00 C ATOM 440 C TYR A 25 -8.197 -15.570 6.720 1.00 0.00 C ATOM 441 O TYR A 25 -7.089 -16.045 6.478 1.00 0.00 O ATOM 442 CB TYR A 25 -9.032 -13.319 6.056 1.00 0.00 C ATOM 443 CG TYR A 25 -8.178 -13.125 4.801 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.127 -12.230 4.813 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.458 -13.845 3.657 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.323 -12.048 3.632 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.654 -13.663 2.477 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.627 -12.773 2.522 1.00 0.00 C ATOM 449 OH TYR A 25 -5.868 -12.601 1.407 1.00 0.00 O ATOM 0 H TYR A 25 -6.264 -13.985 6.889 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.899 -14.104 8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.954 -13.830 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.314 -12.341 6.446 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.908 -11.666 5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.280 -14.545 3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.497 -11.352 3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.862 -14.221 1.576 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.630 -11.655 1.316 1.00 0.00 H new ATOM 459 N GLU A 26 -9.337 -16.239 6.627 1.00 0.00 N ATOM 460 CA GLU A 26 -9.355 -17.633 6.216 1.00 0.00 C ATOM 461 C GLU A 26 -10.361 -17.839 5.082 1.00 0.00 C ATOM 462 O GLU A 26 -11.509 -18.210 5.326 1.00 0.00 O ATOM 463 CB GLU A 26 -9.668 -18.549 7.400 1.00 0.00 C ATOM 464 CG GLU A 26 -8.384 -18.995 8.103 1.00 0.00 C ATOM 465 CD GLU A 26 -8.407 -20.499 8.384 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.788 -21.244 7.455 1.00 0.00 O ATOM 467 OE2 GLU A 26 -8.042 -20.870 9.521 1.00 0.00 O ATOM 0 H GLU A 26 -10.255 -15.842 6.829 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.363 -17.896 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.312 -18.027 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.219 -19.423 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.522 -18.750 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.269 -18.448 9.039 1.00 0.00 H new ATOM 474 N GLY A 27 -9.895 -17.591 3.867 1.00 0.00 N ATOM 475 CA GLY A 27 -10.740 -17.745 2.695 1.00 0.00 C ATOM 476 C GLY A 27 -10.533 -16.588 1.715 1.00 0.00 C ATOM 477 O GLY A 27 -9.410 -16.125 1.524 1.00 0.00 O ATOM 0 H GLY A 27 -8.943 -17.284 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.514 -18.690 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.786 -17.786 2.999 1.00 0.00 H new ATOM 481 N SER A 28 -11.635 -16.156 1.119 1.00 0.00 N ATOM 482 CA SER A 28 -11.589 -15.063 0.163 1.00 0.00 C ATOM 483 C SER A 28 -10.850 -13.868 0.769 1.00 0.00 C ATOM 484 O SER A 28 -10.730 -13.762 1.989 1.00 0.00 O ATOM 485 CB SER A 28 -12.997 -14.652 -0.272 1.00 0.00 C ATOM 486 OG SER A 28 -13.533 -15.537 -1.251 1.00 0.00 O ATOM 0 H SER A 28 -12.565 -16.543 1.280 1.00 0.00 H new ATOM 0 HA SER A 28 -11.050 -15.404 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.654 -14.633 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.971 -13.639 -0.674 1.00 0.00 H new ATOM 0 HG SER A 28 -14.433 -15.242 -1.501 1.00 0.00 H new ATOM 492 N THR A 29 -10.375 -12.999 -0.110 1.00 0.00 N ATOM 493 CA THR A 29 -9.651 -11.815 0.324 1.00 0.00 C ATOM 494 C THR A 29 -10.628 -10.691 0.673 1.00 0.00 C ATOM 495 O THR A 29 -11.680 -10.562 0.049 1.00 0.00 O ATOM 496 CB THR A 29 -8.659 -11.438 -0.778 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.574 -12.343 -0.594 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.035 -10.058 -0.556 1.00 0.00 C ATOM 0 H THR A 29 -10.477 -13.090 -1.121 1.00 0.00 H new ATOM 0 HA THR A 29 -9.087 -12.008 1.237 1.00 0.00 H new ATOM 0 HB THR A 29 -9.165 -11.457 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.223 -12.252 0.317 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.339 -9.839 -1.366 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.820 -9.302 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.501 -10.049 0.394 1.00 0.00 H new ATOM 506 N PRO A 30 -10.235 -9.886 1.697 1.00 0.00 N ATOM 507 CA PRO A 30 -11.065 -8.777 2.137 1.00 0.00 C ATOM 508 C PRO A 30 -10.993 -7.612 1.147 1.00 0.00 C ATOM 509 O PRO A 30 -10.069 -7.536 0.339 1.00 0.00 O ATOM 510 CB PRO A 30 -10.539 -8.417 3.517 1.00 0.00 C ATOM 511 CG PRO A 30 -9.148 -9.023 3.605 1.00 0.00 C ATOM 512 CD PRO A 30 -8.996 -10.010 2.459 1.00 0.00 C ATOM 0 HA PRO A 30 -12.123 -9.035 2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.503 -7.336 3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.188 -8.814 4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.388 -8.244 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.010 -9.526 4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.128 -9.773 1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.858 -11.026 2.827 1.00 0.00 H new ATOM 520 N SER A 31 -11.981 -6.734 1.243 1.00 0.00 N ATOM 521 CA SER A 31 -12.041 -5.577 0.367 1.00 0.00 C ATOM 522 C SER A 31 -11.503 -4.342 1.092 1.00 0.00 C ATOM 523 O SER A 31 -11.518 -4.284 2.321 1.00 0.00 O ATOM 524 CB SER A 31 -13.471 -5.328 -0.118 1.00 0.00 C ATOM 525 OG SER A 31 -14.010 -6.459 -0.796 1.00 0.00 O ATOM 0 H SER A 31 -12.746 -6.801 1.914 1.00 0.00 H new ATOM 0 HA SER A 31 -11.419 -5.776 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.105 -5.080 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.482 -4.466 -0.785 1.00 0.00 H new ATOM 0 HG SER A 31 -14.924 -6.260 -1.088 1.00 0.00 H new ATOM 531 N ARG A 32 -11.042 -3.385 0.301 1.00 0.00 N ATOM 532 CA ARG A 32 -10.500 -2.155 0.852 1.00 0.00 C ATOM 533 C ARG A 32 -11.513 -1.505 1.797 1.00 0.00 C ATOM 534 O ARG A 32 -11.159 -1.080 2.896 1.00 0.00 O ATOM 535 CB ARG A 32 -10.141 -1.165 -0.258 1.00 0.00 C ATOM 536 CG ARG A 32 -8.802 -1.527 -0.904 1.00 0.00 C ATOM 537 CD ARG A 32 -8.906 -1.506 -2.430 1.00 0.00 C ATOM 538 NE ARG A 32 -8.600 -2.847 -2.976 1.00 0.00 N ATOM 539 CZ ARG A 32 -8.415 -3.104 -4.278 1.00 0.00 C ATOM 540 NH1 ARG A 32 -8.503 -2.112 -5.176 1.00 0.00 N ATOM 541 NH2 ARG A 32 -8.141 -4.351 -4.683 1.00 0.00 N ATOM 0 H ARG A 32 -11.033 -3.436 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.595 -2.410 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.925 -1.162 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.090 -0.156 0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.035 -0.824 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.489 -2.517 -0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.909 -1.202 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.214 -0.771 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.525 -3.624 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.711 -1.162 -4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.362 -2.307 -6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.073 -5.106 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.000 -4.546 -5.674 1.00 0.00 H new ATOM 555 N ASN A 33 -12.754 -1.449 1.335 1.00 0.00 N ATOM 556 CA ASN A 33 -13.821 -0.859 2.126 1.00 0.00 C ATOM 557 C ASN A 33 -13.984 -1.649 3.426 1.00 0.00 C ATOM 558 O ASN A 33 -14.201 -1.067 4.487 1.00 0.00 O ATOM 559 CB ASN A 33 -15.153 -0.905 1.374 1.00 0.00 C ATOM 560 CG ASN A 33 -15.392 0.394 0.603 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.530 1.466 1.168 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.433 0.239 -0.718 1.00 0.00 N ATOM 0 H ASN A 33 -13.044 -1.802 0.423 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.556 0.179 2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.156 -1.748 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.968 -1.069 2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.588 1.047 -1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.310 -0.687 -1.127 1.00 0.00 H new ATOM 569 N ASP A 34 -13.872 -2.964 3.300 1.00 0.00 N ATOM 570 CA ASP A 34 -14.004 -3.840 4.451 1.00 0.00 C ATOM 571 C ASP A 34 -12.869 -3.554 5.437 1.00 0.00 C ATOM 572 O ASP A 34 -13.103 -3.422 6.637 1.00 0.00 O ATOM 573 CB ASP A 34 -13.913 -5.310 4.038 1.00 0.00 C ATOM 574 CG ASP A 34 -15.257 -6.030 3.909 1.00 0.00 C ATOM 575 OD1 ASP A 34 -15.975 -5.719 2.934 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.535 -6.874 4.787 1.00 0.00 O ATOM 0 H ASP A 34 -13.691 -3.443 2.418 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.976 -3.654 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.392 -5.372 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.303 -5.840 4.769 1.00 0.00 H new ATOM 581 N VAL A 35 -11.664 -3.467 4.893 1.00 0.00 N ATOM 582 CA VAL A 35 -10.492 -3.200 5.710 1.00 0.00 C ATOM 583 C VAL A 35 -10.562 -1.766 6.240 1.00 0.00 C ATOM 584 O VAL A 35 -10.174 -1.502 7.377 1.00 0.00 O ATOM 585 CB VAL A 35 -9.220 -3.479 4.907 1.00 0.00 C ATOM 586 CG1 VAL A 35 -7.981 -2.976 5.650 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.096 -4.968 4.577 1.00 0.00 C ATOM 0 H VAL A 35 -11.474 -3.577 3.897 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.468 -3.865 6.573 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.290 -2.932 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.091 -3.187 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.064 -1.901 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.904 -3.481 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.184 -5.139 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.059 -5.544 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.957 -5.283 3.988 1.00 0.00 H new ATOM 597 N ARG A 36 -11.060 -0.879 5.391 1.00 0.00 N ATOM 598 CA ARG A 36 -11.185 0.521 5.760 1.00 0.00 C ATOM 599 C ARG A 36 -12.181 0.679 6.912 1.00 0.00 C ATOM 600 O ARG A 36 -11.860 1.280 7.936 1.00 0.00 O ATOM 601 CB ARG A 36 -11.652 1.364 4.572 1.00 0.00 C ATOM 602 CG ARG A 36 -10.480 2.115 3.939 1.00 0.00 C ATOM 603 CD ARG A 36 -10.977 3.214 2.996 1.00 0.00 C ATOM 604 NE ARG A 36 -10.162 3.227 1.761 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.420 2.475 0.682 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.472 1.644 0.681 1.00 0.00 N ATOM 607 NH2 ARG A 36 -9.627 2.553 -0.394 1.00 0.00 N ATOM 0 H ARG A 36 -11.382 -1.102 4.449 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.202 0.870 6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.121 0.721 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.409 2.076 4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.860 2.555 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.850 1.416 3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.025 3.046 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.918 4.183 3.491 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.353 3.847 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.076 1.584 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.669 1.071 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.826 3.185 -0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.824 1.981 -1.215 1.00 0.00 H new ATOM 621 N ASN A 37 -13.368 0.130 6.705 1.00 0.00 N ATOM 622 CA ASN A 37 -14.412 0.202 7.712 1.00 0.00 C ATOM 623 C ASN A 37 -13.893 -0.393 9.023 1.00 0.00 C ATOM 624 O ASN A 37 -14.206 0.106 10.102 1.00 0.00 O ATOM 625 CB ASN A 37 -15.646 -0.596 7.286 1.00 0.00 C ATOM 626 CG ASN A 37 -16.725 0.325 6.715 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.080 1.340 7.290 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.227 -0.085 5.553 1.00 0.00 N ATOM 0 H ASN A 37 -13.630 -0.367 5.854 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.686 1.249 7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.364 -1.338 6.539 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.044 -1.141 8.142 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.954 0.461 5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.885 -0.945 5.125 1.00 0.00 H new ATOM 635 N LYS A 38 -13.108 -1.452 8.884 1.00 0.00 N ATOM 636 CA LYS A 38 -12.543 -2.120 10.044 1.00 0.00 C ATOM 637 C LYS A 38 -11.627 -1.149 10.791 1.00 0.00 C ATOM 638 O LYS A 38 -11.764 -0.965 11.999 1.00 0.00 O ATOM 639 CB LYS A 38 -11.852 -3.421 9.628 1.00 0.00 C ATOM 640 CG LYS A 38 -11.852 -4.432 10.776 1.00 0.00 C ATOM 641 CD LYS A 38 -12.347 -5.800 10.301 1.00 0.00 C ATOM 642 CE LYS A 38 -12.939 -6.601 11.462 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.043 -7.465 10.986 1.00 0.00 N ATOM 0 H LYS A 38 -12.850 -1.863 7.987 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.332 -2.412 10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.361 -3.847 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.827 -3.211 9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.845 -4.526 11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.489 -4.071 11.584 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.100 -5.669 9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.522 -6.355 9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.163 -7.213 11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.307 -5.921 12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.434 -8.002 11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.790 -6.875 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.682 -8.126 10.269 1.00 0.00 H new ATOM 657 N LEU A 39 -10.712 -0.552 10.040 1.00 0.00 N ATOM 658 CA LEU A 39 -9.774 0.396 10.616 1.00 0.00 C ATOM 659 C LEU A 39 -10.546 1.585 11.193 1.00 0.00 C ATOM 660 O LEU A 39 -10.369 1.939 12.357 1.00 0.00 O ATOM 661 CB LEU A 39 -8.713 0.792 9.588 1.00 0.00 C ATOM 662 CG LEU A 39 -7.257 0.633 10.031 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.712 -0.742 9.640 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.391 1.770 9.484 1.00 0.00 C ATOM 0 H LEU A 39 -10.601 -0.707 9.038 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.229 -0.061 11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.866 0.195 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.876 1.833 9.310 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.222 0.696 11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.676 -0.829 9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.309 -1.519 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.762 -0.859 8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.361 1.634 9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.428 1.764 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.767 2.724 9.854 1.00 0.00 H new ATOM 676 N ALA A 40 -11.386 2.168 10.351 1.00 0.00 N ATOM 677 CA ALA A 40 -12.186 3.310 10.762 1.00 0.00 C ATOM 678 C ALA A 40 -12.865 2.997 12.096 1.00 0.00 C ATOM 679 O ALA A 40 -13.006 3.875 12.946 1.00 0.00 O ATOM 680 CB ALA A 40 -13.192 3.651 9.661 1.00 0.00 C ATOM 0 H ALA A 40 -11.530 1.871 9.386 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.556 4.187 10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.792 4.507 9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.658 3.894 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.844 2.795 9.486 1.00 0.00 H new ATOM 686 N ALA A 41 -13.268 1.743 12.239 1.00 0.00 N ATOM 687 CA ALA A 41 -13.930 1.303 13.456 1.00 0.00 C ATOM 688 C ALA A 41 -12.893 1.161 14.572 1.00 0.00 C ATOM 689 O ALA A 41 -13.167 1.493 15.724 1.00 0.00 O ATOM 690 CB ALA A 41 -14.679 -0.003 13.187 1.00 0.00 C ATOM 0 H ALA A 41 -13.149 1.017 11.532 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.665 2.039 13.780 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.175 -0.333 14.100 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.423 0.158 12.407 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.973 -0.767 12.862 1.00 0.00 H new ATOM 696 N MET A 42 -11.723 0.669 14.191 1.00 0.00 N ATOM 697 CA MET A 42 -10.644 0.479 15.145 1.00 0.00 C ATOM 698 C MET A 42 -10.109 1.823 15.642 1.00 0.00 C ATOM 699 O MET A 42 -9.930 2.019 16.843 1.00 0.00 O ATOM 700 CB MET A 42 -9.511 -0.309 14.484 1.00 0.00 C ATOM 701 CG MET A 42 -9.783 -1.814 14.544 1.00 0.00 C ATOM 702 SD MET A 42 -8.585 -2.609 15.601 1.00 0.00 S ATOM 703 CE MET A 42 -7.450 -3.230 14.371 1.00 0.00 C ATOM 0 H MET A 42 -11.499 0.396 13.234 1.00 0.00 H new ATOM 0 HA MET A 42 -11.033 -0.074 16.000 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.403 0.004 13.445 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.568 -0.086 14.983 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.790 -1.995 14.921 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.736 -2.241 13.542 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.471 -3.384 14.824 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.821 -4.177 13.978 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.364 -2.509 13.558 1.00 0.00 H new ATOM 713 N LEU A 43 -9.868 2.715 14.692 1.00 0.00 N ATOM 714 CA LEU A 43 -9.356 4.036 15.018 1.00 0.00 C ATOM 715 C LEU A 43 -10.530 4.984 15.271 1.00 0.00 C ATOM 716 O LEU A 43 -10.334 6.184 15.459 1.00 0.00 O ATOM 717 CB LEU A 43 -8.396 4.522 13.931 1.00 0.00 C ATOM 718 CG LEU A 43 -7.738 3.433 13.082 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.579 4.003 12.260 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.298 2.252 13.949 1.00 0.00 C ATOM 0 H LEU A 43 -10.018 2.549 13.697 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.769 4.002 15.936 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.940 5.193 13.267 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.610 5.110 14.405 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.479 3.057 12.377 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.129 3.208 11.666 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.952 4.784 11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.830 4.423 12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.833 1.492 13.320 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.580 2.595 14.694 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.166 1.826 14.451 1.00 0.00 H new ATOM 732 N ASN A 44 -11.724 4.411 15.267 1.00 0.00 N ATOM 733 CA ASN A 44 -12.929 5.191 15.493 1.00 0.00 C ATOM 734 C ASN A 44 -12.845 6.495 14.698 1.00 0.00 C ATOM 735 O ASN A 44 -13.274 7.545 15.174 1.00 0.00 O ATOM 736 CB ASN A 44 -13.084 5.548 16.973 1.00 0.00 C ATOM 737 CG ASN A 44 -12.891 4.315 17.858 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.831 3.629 18.226 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.624 4.073 18.179 1.00 0.00 N ATOM 0 H ASN A 44 -11.883 3.416 15.111 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.783 4.592 15.175 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.356 6.312 17.244 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.072 5.973 17.147 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.391 3.273 18.767 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.885 4.687 17.837 1.00 0.00 H new ATOM 746 N ALA A 45 -12.289 6.386 13.501 1.00 0.00 N ATOM 747 CA ALA A 45 -12.142 7.543 12.635 1.00 0.00 C ATOM 748 C ALA A 45 -13.080 7.399 11.435 1.00 0.00 C ATOM 749 O ALA A 45 -13.618 6.321 11.189 1.00 0.00 O ATOM 750 CB ALA A 45 -10.678 7.686 12.217 1.00 0.00 C ATOM 0 H ALA A 45 -11.934 5.513 13.110 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.420 8.455 13.163 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.568 8.554 11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.057 7.816 13.104 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.363 6.790 11.682 1.00 0.00 H new ATOM 756 N PRO A 46 -13.252 8.531 10.700 1.00 0.00 N ATOM 757 CA PRO A 46 -14.115 8.540 9.531 1.00 0.00 C ATOM 758 C PRO A 46 -13.447 7.833 8.350 1.00 0.00 C ATOM 759 O PRO A 46 -12.222 7.825 8.239 1.00 0.00 O ATOM 760 CB PRO A 46 -14.396 10.010 9.262 1.00 0.00 C ATOM 761 CG PRO A 46 -13.314 10.783 9.998 1.00 0.00 C ATOM 762 CD PRO A 46 -12.631 9.826 10.961 1.00 0.00 C ATOM 0 HA PRO A 46 -15.044 7.992 9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.370 10.223 8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.387 10.290 9.619 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.592 11.195 9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.747 11.625 10.539 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.555 9.791 10.788 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.778 10.134 11.996 1.00 0.00 H new ATOM 770 N LEU A 47 -14.282 7.258 7.498 1.00 0.00 N ATOM 771 CA LEU A 47 -13.788 6.550 6.329 1.00 0.00 C ATOM 772 C LEU A 47 -13.302 7.564 5.292 1.00 0.00 C ATOM 773 O LEU A 47 -12.197 7.438 4.766 1.00 0.00 O ATOM 774 CB LEU A 47 -14.851 5.587 5.796 1.00 0.00 C ATOM 775 CG LEU A 47 -14.372 4.169 5.478 1.00 0.00 C ATOM 776 CD1 LEU A 47 -15.036 3.146 6.402 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.592 3.835 4.001 1.00 0.00 C ATOM 0 H LEU A 47 -15.297 7.268 7.593 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.933 5.929 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.654 5.522 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.280 6.016 4.890 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.299 4.121 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.678 2.146 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.786 3.375 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.117 3.187 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.243 2.822 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.654 3.906 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.036 4.539 3.382 1.00 0.00 H new ATOM 789 N GLU A 48 -14.151 8.547 5.028 1.00 0.00 N ATOM 790 CA GLU A 48 -13.821 9.582 4.063 1.00 0.00 C ATOM 791 C GLU A 48 -12.405 10.106 4.309 1.00 0.00 C ATOM 792 O GLU A 48 -11.665 10.373 3.364 1.00 0.00 O ATOM 793 CB GLU A 48 -14.843 10.720 4.110 1.00 0.00 C ATOM 794 CG GLU A 48 -14.945 11.307 5.519 1.00 0.00 C ATOM 795 CD GLU A 48 -16.012 12.402 5.580 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.101 13.163 4.593 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.714 12.453 6.613 1.00 0.00 O ATOM 0 H GLU A 48 -15.067 8.648 5.466 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.857 9.146 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.555 11.501 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.819 10.351 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.188 10.517 6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.980 11.717 5.817 1.00 0.00 H new ATOM 804 N LEU A 49 -12.070 10.237 5.584 1.00 0.00 N ATOM 805 CA LEU A 49 -10.756 10.724 5.967 1.00 0.00 C ATOM 806 C LEU A 49 -9.743 9.582 5.863 1.00 0.00 C ATOM 807 O LEU A 49 -8.557 9.818 5.640 1.00 0.00 O ATOM 808 CB LEU A 49 -10.808 11.377 7.350 1.00 0.00 C ATOM 809 CG LEU A 49 -11.770 12.557 7.499 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.541 13.287 8.824 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.670 13.501 6.299 1.00 0.00 C ATOM 0 H LEU A 49 -12.686 10.014 6.366 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.426 11.506 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.083 10.615 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.805 11.717 7.607 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.788 12.168 7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.238 14.121 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.703 12.597 9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.519 13.663 8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.364 14.331 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.653 13.887 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.921 12.959 5.387 1.00 0.00 H new ATOM 823 N LEU A 50 -10.249 8.369 6.030 1.00 0.00 N ATOM 824 CA LEU A 50 -9.403 7.189 5.959 1.00 0.00 C ATOM 825 C LEU A 50 -9.210 6.794 4.493 1.00 0.00 C ATOM 826 O LEU A 50 -10.165 6.786 3.718 1.00 0.00 O ATOM 827 CB LEU A 50 -9.974 6.067 6.828 1.00 0.00 C ATOM 828 CG LEU A 50 -8.951 5.113 7.448 1.00 0.00 C ATOM 829 CD1 LEU A 50 -8.405 5.672 8.763 1.00 0.00 C ATOM 830 CD2 LEU A 50 -9.543 3.713 7.622 1.00 0.00 C ATOM 0 H LEU A 50 -11.234 8.177 6.214 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.415 7.403 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.556 6.517 7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.667 5.482 6.223 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.108 5.024 6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.680 4.974 9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.920 6.631 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.225 5.810 9.468 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.796 3.054 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.414 3.765 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.842 3.321 6.650 1.00 0.00 H new ATOM 842 N VAL A 51 -7.968 6.476 4.158 1.00 0.00 N ATOM 843 CA VAL A 51 -7.638 6.080 2.799 1.00 0.00 C ATOM 844 C VAL A 51 -6.658 4.906 2.839 1.00 0.00 C ATOM 845 O VAL A 51 -6.014 4.664 3.859 1.00 0.00 O ATOM 846 CB VAL A 51 -7.100 7.283 2.021 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.138 7.021 0.514 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.872 8.555 2.376 1.00 0.00 C ATOM 0 H VAL A 51 -7.178 6.484 4.804 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.529 5.741 2.271 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.059 7.432 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.751 7.891 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.525 6.151 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.166 6.835 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.470 9.395 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.925 8.422 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.772 8.756 3.443 1.00 0.00 H new ATOM 858 N ILE A 52 -6.574 4.209 1.715 1.00 0.00 N ATOM 859 CA ILE A 52 -5.683 3.066 1.608 1.00 0.00 C ATOM 860 C ILE A 52 -4.674 3.315 0.485 1.00 0.00 C ATOM 861 O ILE A 52 -5.059 3.605 -0.646 1.00 0.00 O ATOM 862 CB ILE A 52 -6.486 1.774 1.439 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.588 1.672 2.496 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.566 0.552 1.450 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.009 1.273 3.855 1.00 0.00 C ATOM 0 H ILE A 52 -7.108 4.414 0.871 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.112 2.940 2.528 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.975 1.800 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.103 2.629 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.330 0.938 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.161 -0.353 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.850 0.628 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.030 0.509 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.813 1.208 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.516 0.305 3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.285 2.022 4.176 1.00 0.00 H new ATOM 877 N GLN A 53 -3.403 3.192 0.837 1.00 0.00 N ATOM 878 CA GLN A 53 -2.336 3.399 -0.128 1.00 0.00 C ATOM 879 C GLN A 53 -2.319 2.264 -1.152 1.00 0.00 C ATOM 880 O GLN A 53 -2.446 2.503 -2.352 1.00 0.00 O ATOM 881 CB GLN A 53 -0.982 3.528 0.572 1.00 0.00 C ATOM 882 CG GLN A 53 0.137 3.781 -0.440 1.00 0.00 C ATOM 883 CD GLN A 53 1.367 4.383 0.241 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.533 5.589 0.328 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.219 3.479 0.718 1.00 0.00 N ATOM 0 H GLN A 53 -3.088 2.952 1.777 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.525 4.334 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.017 4.345 1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.771 2.618 1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.409 2.845 -0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.218 4.455 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.020 2.484 0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.071 3.781 1.190 1.00 0.00 H new ATOM 894 N ARG A 54 -2.159 1.051 -0.642 1.00 0.00 N ATOM 895 CA ARG A 54 -2.124 -0.122 -1.498 1.00 0.00 C ATOM 896 C ARG A 54 -1.983 -1.391 -0.655 1.00 0.00 C ATOM 897 O ARG A 54 -1.074 -1.497 0.167 1.00 0.00 O ATOM 898 CB ARG A 54 -0.960 -0.046 -2.489 1.00 0.00 C ATOM 899 CG ARG A 54 -1.372 -0.584 -3.861 1.00 0.00 C ATOM 900 CD ARG A 54 -1.168 0.473 -4.948 1.00 0.00 C ATOM 901 NE ARG A 54 -2.356 0.530 -5.829 1.00 0.00 N ATOM 902 CZ ARG A 54 -2.468 1.343 -6.888 1.00 0.00 C ATOM 903 NH1 ARG A 54 -1.465 2.173 -7.205 1.00 0.00 N ATOM 904 NH2 ARG A 54 -3.584 1.327 -7.630 1.00 0.00 N ATOM 0 H ARG A 54 -2.052 0.856 0.353 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.060 -0.153 -2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.626 0.987 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.115 -0.620 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.787 -1.472 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.418 -0.889 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.997 1.448 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.281 0.236 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.139 -0.089 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.616 2.186 -6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.551 2.792 -8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.348 0.696 -7.388 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.669 1.946 -8.436 1.00 0.00 H new ATOM 918 N ILE A 55 -2.897 -2.321 -0.886 1.00 0.00 N ATOM 919 CA ILE A 55 -2.887 -3.579 -0.158 1.00 0.00 C ATOM 920 C ILE A 55 -2.078 -4.612 -0.944 1.00 0.00 C ATOM 921 O ILE A 55 -2.133 -4.644 -2.173 1.00 0.00 O ATOM 922 CB ILE A 55 -4.315 -4.026 0.159 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.893 -3.230 1.331 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.375 -5.535 0.406 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.412 -3.392 1.408 1.00 0.00 C ATOM 0 H ILE A 55 -3.650 -2.229 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.395 -3.457 0.807 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.939 -3.816 -0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.440 -3.568 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.641 -2.175 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.401 -5.827 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.033 -6.063 -0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.733 -5.791 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.797 -2.816 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.864 -3.031 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.659 -4.445 1.545 1.00 0.00 H new ATOM 937 N LYS A 56 -1.348 -5.433 -0.204 1.00 0.00 N ATOM 938 CA LYS A 56 -0.529 -6.465 -0.817 1.00 0.00 C ATOM 939 C LYS A 56 -0.900 -7.825 -0.222 1.00 0.00 C ATOM 940 O LYS A 56 -0.768 -8.036 0.983 1.00 0.00 O ATOM 941 CB LYS A 56 0.956 -6.120 -0.684 1.00 0.00 C ATOM 942 CG LYS A 56 1.443 -5.319 -1.893 1.00 0.00 C ATOM 943 CD LYS A 56 2.445 -4.243 -1.470 1.00 0.00 C ATOM 944 CE LYS A 56 3.873 -4.646 -1.844 1.00 0.00 C ATOM 945 NZ LYS A 56 4.347 -3.860 -3.005 1.00 0.00 N ATOM 0 H LYS A 56 -1.306 -5.405 0.815 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.725 -6.521 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.119 -5.545 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.539 -7.036 -0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.908 -5.990 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.593 -4.854 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.193 -3.297 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.379 -4.082 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.536 -4.486 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.907 -5.710 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.318 -4.146 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.723 -4.033 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.334 -2.848 -2.768 1.00 0.00 H new ATOM 959 N THR A 57 -1.358 -8.711 -1.093 1.00 0.00 N ATOM 960 CA THR A 57 -1.750 -10.045 -0.669 1.00 0.00 C ATOM 961 C THR A 57 -0.594 -11.028 -0.867 1.00 0.00 C ATOM 962 O THR A 57 0.101 -10.978 -1.880 1.00 0.00 O ATOM 963 CB THR A 57 -3.016 -10.432 -1.435 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.885 -9.318 -1.256 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.763 -11.596 -0.781 1.00 0.00 C ATOM 0 H THR A 57 -1.467 -8.532 -2.091 1.00 0.00 H new ATOM 0 HA THR A 57 -1.978 -10.071 0.397 1.00 0.00 H new ATOM 0 HB THR A 57 -2.753 -10.699 -2.459 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.255 -9.334 -0.349 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.653 -11.830 -1.364 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.113 -12.470 -0.744 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.055 -11.318 0.231 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.505 -13.550 4.038 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.331 -12.317 4.787 1.00 0.00 C ATOM 1052 C GLU A 63 -2.123 -11.140 3.831 1.00 0.00 C ATOM 1053 O GLU A 63 -1.254 -11.189 2.961 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.167 -12.434 5.774 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.912 -11.101 6.480 1.00 0.00 C ATOM 1056 CD GLU A 63 0.426 -10.498 6.046 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.447 -10.886 6.654 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.397 -9.663 5.116 1.00 0.00 O ATOM 0 HA GLU A 63 -3.237 -12.135 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.388 -13.205 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.267 -12.748 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.719 -10.405 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.914 -11.251 7.560 1.00 0.00 H new ATOM 1065 N SER A 64 -2.935 -10.111 4.024 1.00 0.00 N ATOM 1066 CA SER A 64 -2.851 -8.925 3.190 1.00 0.00 C ATOM 1067 C SER A 64 -2.445 -7.717 4.037 1.00 0.00 C ATOM 1068 O SER A 64 -3.026 -7.472 5.094 1.00 0.00 O ATOM 1069 CB SER A 64 -4.180 -8.654 2.482 1.00 0.00 C ATOM 1070 OG SER A 64 -4.676 -9.812 1.816 1.00 0.00 O ATOM 0 H SER A 64 -3.654 -10.074 4.746 1.00 0.00 H new ATOM 0 HA SER A 64 -2.092 -9.097 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.915 -8.312 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.048 -7.849 1.759 1.00 0.00 H new ATOM 0 HG SER A 64 -5.526 -9.598 1.378 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.451 -6.994 3.542 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.961 -5.818 4.241 1.00 0.00 C ATOM 1078 C LYS A 65 -1.113 -4.593 3.337 1.00 0.00 C ATOM 1079 O LYS A 65 -0.871 -4.672 2.133 1.00 0.00 O ATOM 1080 CB LYS A 65 0.469 -6.045 4.734 1.00 0.00 C ATOM 1081 CG LYS A 65 1.488 -5.508 3.727 1.00 0.00 C ATOM 1082 CD LYS A 65 2.915 -5.651 4.262 1.00 0.00 C ATOM 1083 CE LYS A 65 3.354 -7.117 4.267 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.382 -7.655 2.889 1.00 0.00 N ATOM 0 H LYS A 65 -0.972 -7.200 2.665 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.556 -5.631 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.608 -5.552 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.637 -7.110 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.393 -6.048 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.278 -4.459 3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.598 -5.065 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.970 -5.248 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.342 -7.205 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.671 -7.705 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.011 -8.482 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.422 -7.937 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.733 -6.924 2.238 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.512 -3.490 3.951 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.699 -2.250 3.217 1.00 0.00 C ATOM 1100 C GLY A 66 -1.663 -1.044 4.158 1.00 0.00 C ATOM 1101 O GLY A 66 -2.219 -1.091 5.254 1.00 0.00 O ATOM 0 H GLY A 66 -1.711 -3.429 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.920 -2.150 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.653 -2.276 2.690 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.002 0.007 3.696 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.886 1.223 4.483 1.00 0.00 C ATOM 1107 C TYR A 67 -2.114 2.118 4.294 1.00 0.00 C ATOM 1108 O TYR A 67 -2.608 2.272 3.179 1.00 0.00 O ATOM 1109 CB TYR A 67 0.348 1.954 3.951 1.00 0.00 C ATOM 1110 CG TYR A 67 1.360 2.335 5.034 1.00 0.00 C ATOM 1111 CD1 TYR A 67 0.942 3.017 6.159 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.690 1.997 4.886 1.00 0.00 C ATOM 1113 CE1 TYR A 67 1.894 3.376 7.178 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.642 2.356 5.905 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.197 3.028 7.000 1.00 0.00 C ATOM 1116 OH TYR A 67 4.096 3.368 7.963 1.00 0.00 O ATOM 0 H TYR A 67 -0.541 0.042 2.787 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.807 0.987 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.842 1.322 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.027 2.858 3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.099 3.281 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.017 1.463 4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.581 3.909 8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.685 2.097 5.802 1.00 0.00 H new ATOM 0 HH TYR A 67 4.391 2.561 8.434 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.569 2.684 5.402 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.729 3.558 5.373 1.00 0.00 C ATOM 1128 C ALA A 68 -3.311 4.967 5.799 1.00 0.00 C ATOM 1129 O ALA A 68 -2.331 5.135 6.523 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.827 2.980 6.268 1.00 0.00 C ATOM 0 H ALA A 68 -2.155 2.554 6.325 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.134 3.625 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.697 3.636 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.109 1.991 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.458 2.900 7.291 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.076 5.943 5.333 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.797 7.332 5.656 1.00 0.00 C ATOM 1138 C LYS A 69 -4.999 7.932 6.388 1.00 0.00 C ATOM 1139 O LYS A 69 -6.079 8.061 5.813 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.394 8.105 4.399 1.00 0.00 C ATOM 1141 CG LYS A 69 -2.020 7.656 3.896 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.779 8.132 2.462 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.623 7.330 1.469 1.00 0.00 C ATOM 1144 NZ LYS A 69 -3.680 8.183 0.880 1.00 0.00 N ATOM 0 H LYS A 69 -4.889 5.799 4.734 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.944 7.402 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.139 7.951 3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.375 9.173 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.242 8.051 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.950 6.569 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.024 9.191 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.723 8.029 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.986 6.933 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.075 6.476 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.536 7.614 0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.899 8.964 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.348 8.571 -0.026 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.771 8.283 7.645 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.822 8.866 8.461 1.00 0.00 C ATOM 1160 C LEU A 70 -5.644 10.385 8.506 1.00 0.00 C ATOM 1161 O LEU A 70 -4.586 10.878 8.894 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.854 8.210 9.843 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.676 8.935 10.911 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -8.077 9.265 10.394 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.720 8.128 12.210 1.00 0.00 C ATOM 0 H LEU A 70 -3.874 8.175 8.118 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.799 8.672 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.247 7.199 9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.829 8.117 10.203 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.185 9.882 11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.640 9.780 11.172 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.999 9.908 9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.592 8.343 10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.310 8.665 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.175 7.156 12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.706 7.987 12.585 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.695 11.084 8.102 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.668 12.537 8.091 1.00 0.00 C ATOM 1179 C TYR A 71 -7.570 13.111 9.186 1.00 0.00 C ATOM 1180 O TYR A 71 -8.561 12.489 9.568 1.00 0.00 O ATOM 1181 CB TYR A 71 -7.212 12.958 6.725 1.00 0.00 C ATOM 1182 CG TYR A 71 -6.402 12.427 5.541 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.023 12.462 5.577 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -7.050 11.911 4.437 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.260 11.962 4.463 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -6.287 11.411 3.323 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.930 11.461 3.391 1.00 0.00 C ATOM 1188 OH TYR A 71 -4.209 10.989 2.338 1.00 0.00 O ATOM 0 H TYR A 71 -7.570 10.671 7.780 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.657 12.904 8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.241 12.611 6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.237 14.047 6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.516 12.865 6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.129 11.882 4.409 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.180 11.984 4.478 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.782 11.005 2.453 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.252 11.090 2.525 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.195 14.290 9.659 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.958 14.954 10.702 1.00 0.00 C ATOM 1200 C GLU A 72 -9.055 15.824 10.085 1.00 0.00 C ATOM 1201 O GLU A 72 -10.116 16.007 10.680 1.00 0.00 O ATOM 1202 CB GLU A 72 -7.044 15.784 11.606 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.516 14.945 12.771 1.00 0.00 C ATOM 1204 CD GLU A 72 -6.451 15.771 14.057 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -6.074 16.958 13.951 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -6.780 15.197 15.118 1.00 0.00 O ATOM 0 H GLU A 72 -6.373 14.803 9.339 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.431 14.191 11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.208 16.173 11.025 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.592 16.644 11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.162 14.080 12.923 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.524 14.564 12.529 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.762 16.337 8.899 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.711 17.183 8.195 1.00 0.00 C ATOM 1215 C ASP A 73 -9.706 16.819 6.709 1.00 0.00 C ATOM 1216 O ASP A 73 -8.645 16.649 6.111 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.331 18.660 8.321 1.00 0.00 C ATOM 1218 CG ASP A 73 -8.958 19.113 9.734 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -9.362 18.406 10.682 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -8.277 20.156 9.834 1.00 0.00 O ATOM 0 H ASP A 73 -7.881 16.183 8.408 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.696 17.025 8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.490 18.861 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.166 19.266 7.970 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.905 16.711 6.155 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.053 16.371 4.750 1.00 0.00 C ATOM 1227 C ALA A 74 -10.471 17.497 3.893 1.00 0.00 C ATOM 1228 O ALA A 74 -9.822 17.239 2.880 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.528 16.106 4.441 1.00 0.00 C ATOM 0 H ALA A 74 -11.783 16.853 6.654 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.502 15.460 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.639 15.851 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.885 15.279 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.112 16.999 4.661 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.723 18.721 4.331 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.232 19.887 3.617 1.00 0.00 C ATOM 1237 C ASP A 75 -8.739 19.713 3.329 1.00 0.00 C ATOM 1238 O ASP A 75 -8.300 19.873 2.192 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.408 21.158 4.450 1.00 0.00 C ATOM 1240 CG ASP A 75 -10.798 22.405 3.654 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -10.060 22.721 2.696 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.826 23.014 4.021 1.00 0.00 O ATOM 0 H ASP A 75 -11.261 18.931 5.172 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.802 19.980 2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.171 20.975 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.476 21.360 4.979 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.001 19.387 4.380 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.567 19.190 4.255 1.00 0.00 C ATOM 1249 C ARG A 76 -6.268 18.123 3.199 1.00 0.00 C ATOM 1250 O ARG A 76 -5.498 18.362 2.271 1.00 0.00 O ATOM 1251 CB ARG A 76 -5.951 18.763 5.589 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.072 19.873 6.167 1.00 0.00 C ATOM 1253 CD ARG A 76 -3.879 20.160 5.253 1.00 0.00 C ATOM 1254 NE ARG A 76 -2.834 20.895 5.999 1.00 0.00 N ATOM 1255 CZ ARG A 76 -1.544 20.942 5.638 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -1.133 20.296 4.538 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -0.666 21.635 6.376 1.00 0.00 N ATOM 0 H ARG A 76 -8.369 19.254 5.322 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.127 20.140 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.742 18.515 6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.357 17.860 5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.663 20.780 6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.716 19.582 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.472 19.225 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.203 20.745 4.392 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.113 21.398 6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.802 19.769 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.152 20.331 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.979 22.127 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.316 21.670 6.101 1.00 0.00 H new ATOM 1271 N MET A 77 -6.894 16.969 3.377 1.00 0.00 N ATOM 1272 CA MET A 77 -6.706 15.865 2.451 1.00 0.00 C ATOM 1273 C MET A 77 -6.871 16.330 1.002 1.00 0.00 C ATOM 1274 O MET A 77 -5.992 16.108 0.171 1.00 0.00 O ATOM 1275 CB MET A 77 -7.724 14.764 2.754 1.00 0.00 C ATOM 1276 CG MET A 77 -7.826 13.776 1.590 1.00 0.00 C ATOM 1277 SD MET A 77 -9.393 13.972 0.758 1.00 0.00 S ATOM 1278 CE MET A 77 -10.434 12.990 1.824 1.00 0.00 C ATOM 0 H MET A 77 -7.532 16.774 4.149 1.00 0.00 H new ATOM 0 HA MET A 77 -5.694 15.480 2.576 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.433 14.234 3.661 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.701 15.209 2.945 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.009 13.943 0.888 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.726 12.755 1.959 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.457 13.004 1.447 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.069 11.963 1.844 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.414 13.402 2.833 1.00 0.00 H new