USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 THR OG1 : rot 45:sc= 1.18 USER MOD Set 1.3: A 91 THR OG1 : rot 160:sc= 0.0795 USER MOD Set 2.1: A 9 CYS SG : rot -89:sc= 0.623 USER MOD Set 2.2: A 94 CYS SG : rot 161:sc= -1.25 USER MOD Single : A 3 HIS : no HD1:sc= -0.523 X(o=-0.52,f=-0.45) USER MOD Single : A 5 THR OG1 : rot -116:sc= 1.53 USER MOD Single : A 11 MET CE :methyl -155:sc= -0.106 (180deg=-0.991) USER MOD Single : A 12 ASN : amide:sc= 1.24 K(o=1.2,f=-0.17) USER MOD Single : A 13 MET CE :methyl -141:sc= -3.21! (180deg=-5.28!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -45:sc= -0.044 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 11:sc= 0.143 USER MOD Single : A 59 CYS SG : rot 61:sc= 0.184 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.968) USER MOD Single : A 67 THR OG1 : rot 86:sc= 1.44 USER MOD Single : A 68 SER OG : rot 6:sc= 0.689 USER MOD Single : A 72 CYS SG : rot 155:sc= -2.74! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 92 LYS NZ :NH3+ -150:sc= -0.189 (180deg=-1.29!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 98 SER OG : rot 65:sc= 1.33 USER MOD Single : A 99 TYR OH : rot -77:sc= 0.881 USER MOD Single : A 100 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.996 16.093 0.737 1.00 0.00 N ATOM 16 CA HIS A 3 11.880 17.021 0.627 1.00 0.00 C ATOM 17 C HIS A 3 10.557 16.237 0.726 1.00 0.00 C ATOM 18 O HIS A 3 10.561 15.013 0.549 1.00 0.00 O ATOM 19 CB HIS A 3 12.045 17.776 -0.709 1.00 0.00 C ATOM 20 CG HIS A 3 12.109 16.881 -1.927 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.206 16.181 -2.392 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.064 16.598 -2.760 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.812 15.468 -3.461 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.513 15.694 -3.727 1.00 0.00 N ATOM 0 HA HIS A 3 11.863 17.752 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.212 18.470 -0.826 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.955 18.375 -0.664 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.065 17.002 -2.685 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.450 14.806 -4.028 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.964 15.287 -4.484 1.00 0.00 H new ATOM 32 N PRO A 4 9.425 16.894 1.036 1.00 0.00 N ATOM 33 CA PRO A 4 8.096 16.288 0.978 1.00 0.00 C ATOM 34 C PRO A 4 7.672 16.117 -0.485 1.00 0.00 C ATOM 35 O PRO A 4 7.998 16.970 -1.314 1.00 0.00 O ATOM 36 CB PRO A 4 7.187 17.286 1.707 1.00 0.00 C ATOM 37 CG PRO A 4 7.862 18.634 1.466 1.00 0.00 C ATOM 38 CD PRO A 4 9.339 18.277 1.480 1.00 0.00 C ATOM 0 HA PRO A 4 8.054 15.299 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.173 17.269 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.115 17.059 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.561 19.073 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.613 19.356 2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.905 18.934 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.758 18.392 2.480 1.00 0.00 H new ATOM 46 N THR A 5 6.918 15.067 -0.812 1.00 0.00 N ATOM 47 CA THR A 5 6.455 14.822 -2.188 1.00 0.00 C ATOM 48 C THR A 5 4.954 14.521 -2.157 1.00 0.00 C ATOM 49 O THR A 5 4.399 14.309 -1.071 1.00 0.00 O ATOM 50 CB THR A 5 7.303 13.716 -2.876 1.00 0.00 C ATOM 51 OG1 THR A 5 6.818 12.417 -2.602 1.00 0.00 O ATOM 52 CG2 THR A 5 8.778 13.756 -2.464 1.00 0.00 C ATOM 0 H THR A 5 6.610 14.364 -0.140 1.00 0.00 H new ATOM 0 HA THR A 5 6.599 15.711 -2.802 1.00 0.00 H new ATOM 0 HB THR A 5 7.216 13.929 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.489 11.918 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.320 12.961 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.206 14.721 -2.736 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.859 13.615 -1.386 1.00 0.00 H new ATOM 60 N GLU A 6 4.290 14.461 -3.314 1.00 0.00 N ATOM 61 CA GLU A 6 2.911 13.977 -3.412 1.00 0.00 C ATOM 62 C GLU A 6 2.806 12.442 -3.385 1.00 0.00 C ATOM 63 O GLU A 6 1.717 11.904 -3.568 1.00 0.00 O ATOM 64 CB GLU A 6 2.122 14.642 -4.559 1.00 0.00 C ATOM 65 CG GLU A 6 2.718 14.564 -5.971 1.00 0.00 C ATOM 66 CD GLU A 6 3.434 15.866 -6.333 1.00 0.00 C ATOM 67 OE1 GLU A 6 4.542 16.101 -5.803 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.893 16.679 -7.117 1.00 0.00 O ATOM 0 H GLU A 6 4.692 14.746 -4.207 1.00 0.00 H new ATOM 0 HA GLU A 6 2.410 14.304 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.129 14.193 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.988 15.694 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.418 13.731 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.927 14.366 -6.694 1.00 0.00 H new ATOM 75 N VAL A 7 3.898 11.719 -3.111 1.00 0.00 N ATOM 76 CA VAL A 7 3.863 10.277 -2.888 1.00 0.00 C ATOM 77 C VAL A 7 3.850 10.045 -1.376 1.00 0.00 C ATOM 78 O VAL A 7 4.756 10.500 -0.667 1.00 0.00 O ATOM 79 CB VAL A 7 5.030 9.579 -3.613 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.853 8.053 -3.574 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.104 10.037 -5.082 1.00 0.00 C ATOM 0 H VAL A 7 4.832 12.123 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 7 2.964 9.831 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 7 5.953 9.851 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.686 7.577 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.828 7.716 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.919 7.782 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.934 9.534 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.172 9.786 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.259 11.115 -5.120 1.00 0.00 H new ATOM 91 N LEU A 8 2.806 9.397 -0.858 1.00 0.00 N ATOM 92 CA LEU A 8 2.677 8.994 0.543 1.00 0.00 C ATOM 93 C LEU A 8 2.954 7.490 0.587 1.00 0.00 C ATOM 94 O LEU A 8 2.582 6.747 -0.320 1.00 0.00 O ATOM 95 CB LEU A 8 1.268 9.355 1.084 1.00 0.00 C ATOM 96 CG LEU A 8 1.238 10.243 2.348 1.00 0.00 C ATOM 97 CD1 LEU A 8 -0.094 10.990 2.467 1.00 0.00 C ATOM 98 CD2 LEU A 8 1.411 9.462 3.654 1.00 0.00 C ATOM 0 H LEU A 8 1.999 9.129 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 8 3.384 9.520 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.716 9.863 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.735 8.429 1.301 1.00 0.00 H new ATOM 0 HG LEU A 8 2.079 10.924 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.086 11.607 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.234 11.625 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.911 10.270 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.379 10.152 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.607 8.733 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.370 8.945 3.644 1.00 0.00 H new ATOM 110 N CYS A 9 3.607 7.029 1.646 1.00 0.00 N ATOM 111 CA CYS A 9 3.840 5.626 1.938 1.00 0.00 C ATOM 112 C CYS A 9 2.948 5.261 3.113 1.00 0.00 C ATOM 113 O CYS A 9 2.755 6.065 4.038 1.00 0.00 O ATOM 114 CB CYS A 9 5.313 5.407 2.291 1.00 0.00 C ATOM 115 SG CYS A 9 5.778 3.678 1.990 1.00 0.00 S ATOM 0 H CYS A 9 4.004 7.650 2.352 1.00 0.00 H new ATOM 0 HA CYS A 9 3.609 5.000 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.940 6.069 1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.486 5.661 3.337 1.00 0.00 H new ATOM 0 HG CYS A 9 5.557 2.976 3.062 1.00 0.00 H new ATOM 121 N LEU A 10 2.400 4.053 3.073 1.00 0.00 N ATOM 122 CA LEU A 10 1.400 3.568 3.999 1.00 0.00 C ATOM 123 C LEU A 10 1.751 2.127 4.343 1.00 0.00 C ATOM 124 O LEU A 10 1.968 1.312 3.446 1.00 0.00 O ATOM 125 CB LEU A 10 0.027 3.632 3.324 1.00 0.00 C ATOM 126 CG LEU A 10 -0.481 5.026 2.928 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.677 4.832 1.997 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.893 5.835 4.164 1.00 0.00 C ATOM 0 H LEU A 10 2.653 3.363 2.366 1.00 0.00 H new ATOM 0 HA LEU A 10 1.373 4.172 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.059 3.014 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.704 3.181 3.995 1.00 0.00 H new ATOM 0 HG LEU A 10 0.311 5.584 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.065 5.805 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.364 4.276 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.457 4.276 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.249 6.818 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.689 5.311 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.034 5.952 4.825 1.00 0.00 H new ATOM 140 N MET A 11 1.824 1.796 5.632 1.00 0.00 N ATOM 141 CA MET A 11 2.235 0.473 6.095 1.00 0.00 C ATOM 142 C MET A 11 1.275 -0.017 7.174 1.00 0.00 C ATOM 143 O MET A 11 0.621 0.789 7.843 1.00 0.00 O ATOM 144 CB MET A 11 3.682 0.505 6.612 1.00 0.00 C ATOM 145 CG MET A 11 4.683 0.969 5.539 1.00 0.00 C ATOM 146 SD MET A 11 4.876 2.775 5.351 1.00 0.00 S ATOM 147 CE MET A 11 5.775 3.231 6.851 1.00 0.00 C ATOM 0 H MET A 11 1.598 2.443 6.388 1.00 0.00 H new ATOM 0 HA MET A 11 2.200 -0.224 5.258 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.742 1.172 7.472 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.962 -0.490 6.959 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.658 0.542 5.772 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.374 0.555 4.579 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.577 4.276 7.090 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.447 2.601 7.678 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.844 3.092 6.691 1.00 0.00 H new ATOM 157 N ASN A 12 1.215 -1.340 7.351 1.00 0.00 N ATOM 158 CA ASN A 12 0.190 -2.089 8.084 1.00 0.00 C ATOM 159 C ASN A 12 -1.157 -1.955 7.372 1.00 0.00 C ATOM 160 O ASN A 12 -2.055 -1.256 7.844 1.00 0.00 O ATOM 161 CB ASN A 12 0.087 -1.741 9.577 1.00 0.00 C ATOM 162 CG ASN A 12 1.410 -1.784 10.319 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.282 -2.606 10.056 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.592 -0.931 11.309 1.00 0.00 N ATOM 0 H ASN A 12 1.928 -1.957 6.961 1.00 0.00 H new ATOM 0 HA ASN A 12 0.504 -3.133 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.341 -0.743 9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.606 -2.434 10.053 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.455 -0.957 11.852 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.870 -0.246 11.531 1.00 0.00 H new ATOM 171 N MET A 13 -1.282 -2.617 6.223 1.00 0.00 N ATOM 172 CA MET A 13 -2.451 -2.588 5.353 1.00 0.00 C ATOM 173 C MET A 13 -2.792 -4.034 4.979 1.00 0.00 C ATOM 174 O MET A 13 -3.695 -4.624 5.569 1.00 0.00 O ATOM 175 CB MET A 13 -2.173 -1.686 4.125 1.00 0.00 C ATOM 176 CG MET A 13 -3.159 -0.525 3.977 1.00 0.00 C ATOM 177 SD MET A 13 -2.359 1.085 3.830 1.00 0.00 S ATOM 178 CE MET A 13 -1.608 1.127 5.468 1.00 0.00 C ATOM 0 H MET A 13 -0.538 -3.213 5.860 1.00 0.00 H new ATOM 0 HA MET A 13 -3.316 -2.153 5.854 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.162 -1.285 4.202 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.206 -2.296 3.222 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.779 -0.695 3.097 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.826 -0.513 4.839 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.674 2.137 5.873 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.134 0.437 6.127 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.561 0.832 5.396 1.00 0.00 H new ATOM 188 N VAL A 14 -2.034 -4.619 4.050 1.00 0.00 N ATOM 189 CA VAL A 14 -2.317 -5.894 3.406 1.00 0.00 C ATOM 190 C VAL A 14 -1.246 -6.911 3.802 1.00 0.00 C ATOM 191 O VAL A 14 -0.066 -6.568 3.941 1.00 0.00 O ATOM 192 CB VAL A 14 -2.349 -5.709 1.873 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.630 -5.049 1.358 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.143 -4.916 1.325 1.00 0.00 C ATOM 0 H VAL A 14 -1.169 -4.195 3.714 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.290 -6.262 3.730 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.305 -6.732 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.579 -4.953 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.489 -5.663 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.735 -4.061 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.230 -4.824 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.126 -3.923 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.220 -5.441 1.572 1.00 0.00 H new ATOM 204 N LEU A 15 -1.625 -8.182 3.926 1.00 0.00 N ATOM 205 CA LEU A 15 -0.730 -9.259 4.343 1.00 0.00 C ATOM 206 C LEU A 15 -0.459 -10.171 3.152 1.00 0.00 C ATOM 207 O LEU A 15 -1.361 -10.351 2.332 1.00 0.00 O ATOM 208 CB LEU A 15 -1.367 -10.075 5.484 1.00 0.00 C ATOM 209 CG LEU A 15 -1.859 -9.239 6.677 1.00 0.00 C ATOM 210 CD1 LEU A 15 -2.425 -10.172 7.748 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.739 -8.387 7.282 1.00 0.00 C ATOM 0 H LEU A 15 -2.577 -8.497 3.737 1.00 0.00 H new ATOM 0 HA LEU A 15 0.205 -8.828 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.208 -10.640 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.638 -10.801 5.843 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.632 -8.561 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.775 -9.583 8.596 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.257 -10.740 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.647 -10.859 8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.131 -7.813 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.064 -9.036 7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.352 -7.705 6.525 1.00 0.00 H new ATOM 223 N PRO A 16 0.700 -10.849 3.076 1.00 0.00 N ATOM 224 CA PRO A 16 1.023 -11.786 1.995 1.00 0.00 C ATOM 225 C PRO A 16 0.112 -13.027 1.965 1.00 0.00 C ATOM 226 O PRO A 16 0.334 -13.923 1.159 1.00 0.00 O ATOM 227 CB PRO A 16 2.491 -12.166 2.223 1.00 0.00 C ATOM 228 CG PRO A 16 2.668 -12.016 3.732 1.00 0.00 C ATOM 229 CD PRO A 16 1.792 -10.804 4.040 1.00 0.00 C ATOM 0 HA PRO A 16 0.860 -11.321 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.698 -13.184 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.166 -11.510 1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.338 -12.904 4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.709 -11.846 4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.414 -10.844 5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.359 -9.878 3.946 1.00 0.00 H new ATOM 237 N GLU A 17 -0.901 -13.064 2.829 1.00 0.00 N ATOM 238 CA GLU A 17 -1.782 -14.172 3.133 1.00 0.00 C ATOM 239 C GLU A 17 -3.263 -13.759 3.101 1.00 0.00 C ATOM 240 O GLU A 17 -4.131 -14.606 3.296 1.00 0.00 O ATOM 241 CB GLU A 17 -1.319 -14.859 4.429 1.00 0.00 C ATOM 242 CG GLU A 17 -1.095 -13.928 5.636 1.00 0.00 C ATOM 243 CD GLU A 17 -0.511 -14.641 6.870 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.150 -15.702 6.749 1.00 0.00 O ATOM 245 OE2 GLU A 17 -0.658 -14.123 8.003 1.00 0.00 O ATOM 0 H GLU A 17 -1.141 -12.240 3.380 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.713 -14.925 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.060 -15.610 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.389 -15.389 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.423 -13.122 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.044 -13.468 5.909 1.00 0.00 H new ATOM 252 N GLU A 18 -3.575 -12.502 2.753 1.00 0.00 N ATOM 253 CA GLU A 18 -4.952 -12.061 2.474 1.00 0.00 C ATOM 254 C GLU A 18 -5.083 -11.360 1.112 1.00 0.00 C ATOM 255 O GLU A 18 -6.171 -11.247 0.562 1.00 0.00 O ATOM 256 CB GLU A 18 -5.470 -11.182 3.629 1.00 0.00 C ATOM 257 CG GLU A 18 -4.880 -9.761 3.661 1.00 0.00 C ATOM 258 CD GLU A 18 -5.363 -8.906 4.845 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.171 -9.298 6.019 1.00 0.00 O ATOM 260 OE2 GLU A 18 -5.840 -7.773 4.607 1.00 0.00 O ATOM 0 H GLU A 18 -2.880 -11.761 2.657 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.580 -12.950 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.555 -11.110 3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.246 -11.677 4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.793 -9.831 3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.135 -9.252 2.731 1.00 0.00 H new ATOM 267 N LEU A 19 -3.970 -10.904 0.533 1.00 0.00 N ATOM 268 CA LEU A 19 -3.969 -9.906 -0.557 1.00 0.00 C ATOM 269 C LEU A 19 -4.022 -10.597 -1.938 1.00 0.00 C ATOM 270 O LEU A 19 -3.691 -10.010 -2.963 1.00 0.00 O ATOM 271 CB LEU A 19 -2.828 -8.892 -0.258 1.00 0.00 C ATOM 272 CG LEU A 19 -1.549 -8.902 -1.023 1.00 0.00 C ATOM 273 CD1 LEU A 19 -1.724 -8.083 -2.305 1.00 0.00 C ATOM 274 CD2 LEU A 19 -0.371 -8.307 -0.230 1.00 0.00 C ATOM 0 H LEU A 19 -3.036 -11.213 0.803 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.872 -9.298 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.255 -7.895 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.568 -9.011 0.794 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.316 -9.945 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.791 -8.087 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.517 -8.521 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.989 -7.057 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.532 -8.342 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.593 -7.272 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.217 -8.885 0.681 1.00 0.00 H new ATOM 286 N LEU A 20 -4.389 -11.879 -1.979 1.00 0.00 N ATOM 287 CA LEU A 20 -4.134 -12.757 -3.122 1.00 0.00 C ATOM 288 C LEU A 20 -5.330 -12.890 -4.062 1.00 0.00 C ATOM 289 O LEU A 20 -5.154 -13.281 -5.218 1.00 0.00 O ATOM 290 CB LEU A 20 -3.772 -14.157 -2.624 1.00 0.00 C ATOM 291 CG LEU A 20 -2.558 -14.153 -1.683 1.00 0.00 C ATOM 292 CD1 LEU A 20 -2.957 -14.559 -0.267 1.00 0.00 C ATOM 293 CD2 LEU A 20 -1.438 -15.043 -2.220 1.00 0.00 C ATOM 0 H LEU A 20 -4.877 -12.341 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.316 -12.300 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.628 -14.587 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.562 -14.800 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.176 -13.133 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.077 -14.547 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.697 -13.858 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.382 -15.563 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.593 -15.019 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.800 -16.067 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.121 -14.679 -3.197 1.00 0.00 H new ATOM 305 N ASP A 21 -6.536 -12.629 -3.572 1.00 0.00 N ATOM 306 CA ASP A 21 -7.767 -12.945 -4.288 1.00 0.00 C ATOM 307 C ASP A 21 -8.128 -11.751 -5.160 1.00 0.00 C ATOM 308 O ASP A 21 -8.070 -10.611 -4.697 1.00 0.00 O ATOM 309 CB ASP A 21 -8.892 -13.278 -3.296 1.00 0.00 C ATOM 310 CG ASP A 21 -8.778 -14.690 -2.718 1.00 0.00 C ATOM 311 OD1 ASP A 21 -7.672 -15.105 -2.297 1.00 0.00 O ATOM 312 OD2 ASP A 21 -9.796 -15.416 -2.695 1.00 0.00 O ATOM 0 H ASP A 21 -6.689 -12.191 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.627 -13.823 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.876 -12.555 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.854 -13.173 -3.797 1.00 0.00 H new ATOM 317 N ASP A 22 -8.492 -12.000 -6.422 1.00 0.00 N ATOM 318 CA ASP A 22 -8.776 -10.945 -7.407 1.00 0.00 C ATOM 319 C ASP A 22 -10.048 -10.158 -7.062 1.00 0.00 C ATOM 320 O ASP A 22 -10.234 -9.045 -7.552 1.00 0.00 O ATOM 321 CB ASP A 22 -8.888 -11.554 -8.818 1.00 0.00 C ATOM 322 CG ASP A 22 -8.468 -10.580 -9.922 1.00 0.00 C ATOM 323 OD1 ASP A 22 -7.265 -10.220 -9.951 1.00 0.00 O ATOM 324 OD2 ASP A 22 -9.232 -10.325 -10.879 1.00 0.00 O ATOM 0 H ASP A 22 -8.599 -12.944 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.944 -10.241 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.266 -12.448 -8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.917 -11.870 -8.991 1.00 0.00 H new ATOM 329 N GLU A 23 -10.903 -10.737 -6.212 1.00 0.00 N ATOM 330 CA GLU A 23 -12.018 -10.086 -5.540 1.00 0.00 C ATOM 331 C GLU A 23 -11.481 -9.274 -4.357 1.00 0.00 C ATOM 332 O GLU A 23 -11.511 -8.046 -4.382 1.00 0.00 O ATOM 333 CB GLU A 23 -13.025 -11.142 -5.064 1.00 0.00 C ATOM 334 CG GLU A 23 -13.824 -11.741 -6.224 1.00 0.00 C ATOM 335 CD GLU A 23 -14.944 -10.823 -6.722 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.653 -9.923 -7.551 1.00 0.00 O ATOM 337 OE2 GLU A 23 -16.115 -11.040 -6.349 1.00 0.00 O ATOM 0 H GLU A 23 -10.826 -11.724 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.529 -9.414 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.495 -11.938 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.711 -10.691 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.146 -11.958 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.255 -12.691 -5.908 1.00 0.00 H new ATOM 344 N GLU A 24 -10.986 -9.968 -3.324 1.00 0.00 N ATOM 345 CA GLU A 24 -10.716 -9.434 -1.996 1.00 0.00 C ATOM 346 C GLU A 24 -9.725 -8.264 -2.015 1.00 0.00 C ATOM 347 O GLU A 24 -9.905 -7.304 -1.264 1.00 0.00 O ATOM 348 CB GLU A 24 -10.249 -10.593 -1.092 1.00 0.00 C ATOM 349 CG GLU A 24 -10.580 -10.375 0.393 1.00 0.00 C ATOM 350 CD GLU A 24 -11.053 -11.661 1.085 1.00 0.00 C ATOM 351 OE1 GLU A 24 -12.173 -12.128 0.770 1.00 0.00 O ATOM 352 OE2 GLU A 24 -10.333 -12.217 1.950 1.00 0.00 O ATOM 0 H GLU A 24 -10.755 -10.959 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.633 -9.007 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.715 -11.519 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.172 -10.720 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.697 -9.994 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.354 -9.613 0.481 1.00 0.00 H new ATOM 359 N TYR A 25 -8.721 -8.312 -2.903 1.00 0.00 N ATOM 360 CA TYR A 25 -7.813 -7.217 -3.204 1.00 0.00 C ATOM 361 C TYR A 25 -8.555 -5.921 -3.548 1.00 0.00 C ATOM 362 O TYR A 25 -8.181 -4.847 -3.077 1.00 0.00 O ATOM 363 CB TYR A 25 -6.948 -7.673 -4.389 1.00 0.00 C ATOM 364 CG TYR A 25 -5.973 -6.652 -4.934 1.00 0.00 C ATOM 365 CD1 TYR A 25 -4.693 -6.557 -4.372 1.00 0.00 C ATOM 366 CD2 TYR A 25 -6.324 -5.840 -6.029 1.00 0.00 C ATOM 367 CE1 TYR A 25 -3.748 -5.673 -4.927 1.00 0.00 C ATOM 368 CE2 TYR A 25 -5.395 -4.940 -6.580 1.00 0.00 C ATOM 369 CZ TYR A 25 -4.095 -4.863 -6.036 1.00 0.00 C ATOM 370 OH TYR A 25 -3.145 -4.106 -6.653 1.00 0.00 O ATOM 0 H TYR A 25 -8.519 -9.151 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.206 -6.990 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.386 -8.555 -4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.610 -7.981 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.432 -7.160 -3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.316 -5.909 -6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.755 -5.612 -4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.674 -4.312 -7.413 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.552 -3.612 -7.395 1.00 0.00 H new ATOM 380 N GLU A 26 -9.553 -5.992 -4.428 1.00 0.00 N ATOM 381 CA GLU A 26 -10.206 -4.827 -5.003 1.00 0.00 C ATOM 382 C GLU A 26 -11.068 -4.116 -3.968 1.00 0.00 C ATOM 383 O GLU A 26 -11.084 -2.885 -3.925 1.00 0.00 O ATOM 384 CB GLU A 26 -11.054 -5.226 -6.227 1.00 0.00 C ATOM 385 CG GLU A 26 -10.626 -4.353 -7.407 1.00 0.00 C ATOM 386 CD GLU A 26 -11.587 -4.380 -8.598 1.00 0.00 C ATOM 387 OE1 GLU A 26 -12.792 -4.121 -8.396 1.00 0.00 O ATOM 388 OE2 GLU A 26 -11.114 -4.500 -9.752 1.00 0.00 O ATOM 0 H GLU A 26 -9.933 -6.877 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.429 -4.136 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.910 -6.281 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.115 -5.088 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.523 -3.324 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.641 -4.677 -7.744 1.00 0.00 H new ATOM 395 N GLU A 27 -11.743 -4.901 -3.127 1.00 0.00 N ATOM 396 CA GLU A 27 -12.565 -4.419 -2.021 1.00 0.00 C ATOM 397 C GLU A 27 -11.742 -3.454 -1.164 1.00 0.00 C ATOM 398 O GLU A 27 -12.190 -2.345 -0.858 1.00 0.00 O ATOM 399 CB GLU A 27 -13.035 -5.603 -1.158 1.00 0.00 C ATOM 400 CG GLU A 27 -13.836 -6.681 -1.903 1.00 0.00 C ATOM 401 CD GLU A 27 -14.271 -7.834 -0.985 1.00 0.00 C ATOM 402 OE1 GLU A 27 -13.522 -8.199 -0.048 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.364 -8.393 -1.222 1.00 0.00 O ATOM 0 H GLU A 27 -11.731 -5.918 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.439 -3.904 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.161 -6.071 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.647 -5.217 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.719 -6.227 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.232 -7.079 -2.718 1.00 0.00 H new ATOM 410 N ILE A 28 -10.524 -3.883 -0.819 1.00 0.00 N ATOM 411 CA ILE A 28 -9.573 -3.153 0.002 1.00 0.00 C ATOM 412 C ILE A 28 -9.149 -1.863 -0.712 1.00 0.00 C ATOM 413 O ILE A 28 -9.056 -0.812 -0.069 1.00 0.00 O ATOM 414 CB ILE A 28 -8.357 -4.060 0.314 1.00 0.00 C ATOM 415 CG1 ILE A 28 -8.742 -5.340 1.092 1.00 0.00 C ATOM 416 CG2 ILE A 28 -7.335 -3.265 1.143 1.00 0.00 C ATOM 417 CD1 ILE A 28 -7.693 -6.457 1.012 1.00 0.00 C ATOM 0 H ILE A 28 -10.165 -4.789 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.037 -2.871 0.947 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.937 -4.373 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.904 -5.082 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.689 -5.717 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.476 -3.898 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.006 -2.394 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.797 -2.939 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.036 -7.320 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.547 -6.745 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.750 -6.101 1.426 1.00 0.00 H new ATOM 429 N VAL A 29 -8.853 -1.933 -2.016 1.00 0.00 N ATOM 430 CA VAL A 29 -8.358 -0.776 -2.753 1.00 0.00 C ATOM 431 C VAL A 29 -9.389 0.352 -2.655 1.00 0.00 C ATOM 432 O VAL A 29 -9.011 1.496 -2.374 1.00 0.00 O ATOM 433 CB VAL A 29 -8.005 -1.131 -4.219 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.441 0.086 -4.971 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.972 -2.271 -4.329 1.00 0.00 C ATOM 0 H VAL A 29 -8.949 -2.780 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.425 -0.436 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.943 -1.458 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.204 -0.198 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.182 0.885 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.536 0.435 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.765 -2.474 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.050 -1.976 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.370 -3.169 -3.857 1.00 0.00 H new ATOM 445 N GLU A 30 -10.672 0.044 -2.871 1.00 0.00 N ATOM 446 CA GLU A 30 -11.690 1.073 -2.991 1.00 0.00 C ATOM 447 C GLU A 30 -12.137 1.650 -1.658 1.00 0.00 C ATOM 448 O GLU A 30 -12.502 2.829 -1.617 1.00 0.00 O ATOM 449 CB GLU A 30 -12.936 0.559 -3.702 1.00 0.00 C ATOM 450 CG GLU A 30 -12.718 0.170 -5.160 1.00 0.00 C ATOM 451 CD GLU A 30 -13.995 0.343 -5.987 1.00 0.00 C ATOM 452 OE1 GLU A 30 -15.115 0.217 -5.437 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.840 0.667 -7.191 1.00 0.00 O ATOM 0 H GLU A 30 -11.022 -0.909 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.206 1.858 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.316 -0.308 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.708 1.327 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.923 0.782 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.386 -0.867 -5.215 1.00 0.00 H new ATOM 460 N ASP A 31 -12.124 0.855 -0.585 1.00 0.00 N ATOM 461 CA ASP A 31 -12.562 1.325 0.732 1.00 0.00 C ATOM 462 C ASP A 31 -11.658 2.464 1.190 1.00 0.00 C ATOM 463 O ASP A 31 -12.086 3.518 1.655 1.00 0.00 O ATOM 464 CB ASP A 31 -12.501 0.182 1.754 1.00 0.00 C ATOM 465 CG ASP A 31 -13.311 0.490 3.017 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.186 1.383 3.019 1.00 0.00 O ATOM 467 OD2 ASP A 31 -13.100 -0.247 4.012 1.00 0.00 O ATOM 0 H ASP A 31 -11.815 -0.117 -0.602 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.591 1.677 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.879 -0.732 1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.462 -0.004 2.027 1.00 0.00 H new ATOM 472 N VAL A 32 -10.367 2.272 0.953 1.00 0.00 N ATOM 473 CA VAL A 32 -9.351 3.256 1.250 1.00 0.00 C ATOM 474 C VAL A 32 -9.415 4.382 0.214 1.00 0.00 C ATOM 475 O VAL A 32 -9.124 5.533 0.546 1.00 0.00 O ATOM 476 CB VAL A 32 -8.007 2.518 1.253 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.824 3.483 1.341 1.00 0.00 C ATOM 478 CG2 VAL A 32 -7.920 1.492 2.392 1.00 0.00 C ATOM 0 H VAL A 32 -9.998 1.414 0.543 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.497 3.727 2.222 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.952 1.988 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.892 2.917 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.840 4.157 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.895 4.063 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.952 0.992 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.032 2.001 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.714 0.754 2.278 1.00 0.00 H new ATOM 488 N ARG A 33 -9.798 4.102 -1.039 1.00 0.00 N ATOM 489 CA ARG A 33 -9.962 5.171 -2.022 1.00 0.00 C ATOM 490 C ARG A 33 -11.121 6.094 -1.653 1.00 0.00 C ATOM 491 O ARG A 33 -11.102 7.251 -2.067 1.00 0.00 O ATOM 492 CB ARG A 33 -10.066 4.621 -3.465 1.00 0.00 C ATOM 493 CG ARG A 33 -10.045 5.743 -4.522 1.00 0.00 C ATOM 494 CD ARG A 33 -9.446 5.357 -5.883 1.00 0.00 C ATOM 495 NE ARG A 33 -10.384 4.652 -6.773 1.00 0.00 N ATOM 496 CZ ARG A 33 -10.143 4.376 -8.062 1.00 0.00 C ATOM 497 NH1 ARG A 33 -8.985 4.684 -8.641 1.00 0.00 N ATOM 498 NH2 ARG A 33 -11.071 3.787 -8.793 1.00 0.00 N ATOM 0 H ARG A 33 -9.995 3.164 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.059 5.781 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.240 3.935 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.986 4.046 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.066 6.090 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.481 6.585 -4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.096 6.260 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.573 4.725 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.278 4.354 -6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.251 5.143 -8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.831 4.461 -9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.970 3.543 -8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.890 3.576 -9.774 1.00 0.00 H new ATOM 512 N ASP A 34 -12.111 5.642 -0.881 1.00 0.00 N ATOM 513 CA ASP A 34 -13.078 6.548 -0.269 1.00 0.00 C ATOM 514 C ASP A 34 -12.353 7.388 0.774 1.00 0.00 C ATOM 515 O ASP A 34 -12.286 8.610 0.654 1.00 0.00 O ATOM 516 CB ASP A 34 -14.262 5.798 0.356 1.00 0.00 C ATOM 517 CG ASP A 34 -15.109 6.751 1.198 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.640 7.735 0.645 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.283 6.526 2.420 1.00 0.00 O ATOM 0 H ASP A 34 -12.262 4.656 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.500 7.189 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.874 5.353 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.896 4.980 0.977 1.00 0.00 H new ATOM 524 N GLU A 35 -11.758 6.742 1.779 1.00 0.00 N ATOM 525 CA GLU A 35 -11.285 7.464 2.952 1.00 0.00 C ATOM 526 C GLU A 35 -10.197 8.484 2.606 1.00 0.00 C ATOM 527 O GLU A 35 -10.144 9.570 3.179 1.00 0.00 O ATOM 528 CB GLU A 35 -10.838 6.488 4.049 1.00 0.00 C ATOM 529 CG GLU A 35 -9.337 6.153 4.101 1.00 0.00 C ATOM 530 CD GLU A 35 -9.060 5.446 5.433 1.00 0.00 C ATOM 531 OE1 GLU A 35 -8.983 6.165 6.460 1.00 0.00 O ATOM 532 OE2 GLU A 35 -8.975 4.200 5.491 1.00 0.00 O ATOM 0 H GLU A 35 -11.596 5.735 1.801 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.123 8.040 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.128 6.903 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.391 5.557 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.059 5.513 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.740 7.061 4.019 1.00 0.00 H new ATOM 539 N CYS A 36 -9.315 8.140 1.672 1.00 0.00 N ATOM 540 CA CYS A 36 -8.176 8.958 1.305 1.00 0.00 C ATOM 541 C CYS A 36 -8.650 10.188 0.503 1.00 0.00 C ATOM 542 O CYS A 36 -8.024 11.247 0.571 1.00 0.00 O ATOM 543 CB CYS A 36 -7.197 8.046 0.553 1.00 0.00 C ATOM 544 SG CYS A 36 -5.507 8.681 0.575 1.00 0.00 S ATOM 0 H CYS A 36 -9.378 7.270 1.144 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.656 9.371 2.169 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.214 7.052 1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.527 7.937 -0.480 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.518 9.954 0.309 1.00 0.00 H new ATOM 550 N SER A 37 -9.801 10.093 -0.178 1.00 0.00 N ATOM 551 CA SER A 37 -10.449 11.205 -0.868 1.00 0.00 C ATOM 552 C SER A 37 -10.839 12.321 0.115 1.00 0.00 C ATOM 553 O SER A 37 -10.896 13.489 -0.273 1.00 0.00 O ATOM 554 CB SER A 37 -11.666 10.663 -1.637 1.00 0.00 C ATOM 555 OG SER A 37 -12.070 11.532 -2.677 1.00 0.00 O ATOM 0 H SER A 37 -10.316 9.216 -0.263 1.00 0.00 H new ATOM 0 HA SER A 37 -9.753 11.654 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.424 9.686 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.495 10.517 -0.945 1.00 0.00 H new ATOM 0 HG SER A 37 -12.844 11.150 -3.141 1.00 0.00 H new ATOM 561 N LYS A 38 -11.013 12.027 1.408 1.00 0.00 N ATOM 562 CA LYS A 38 -11.357 13.032 2.419 1.00 0.00 C ATOM 563 C LYS A 38 -10.246 14.068 2.635 1.00 0.00 C ATOM 564 O LYS A 38 -10.464 15.056 3.339 1.00 0.00 O ATOM 565 CB LYS A 38 -11.664 12.330 3.748 1.00 0.00 C ATOM 566 CG LYS A 38 -12.800 11.308 3.656 1.00 0.00 C ATOM 567 CD LYS A 38 -12.898 10.477 4.942 1.00 0.00 C ATOM 568 CE LYS A 38 -14.129 9.574 4.849 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.134 8.498 5.856 1.00 0.00 N ATOM 0 H LYS A 38 -10.919 11.083 1.783 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.231 13.571 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.763 11.828 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.922 13.081 4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.744 11.823 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.632 10.648 2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.998 9.877 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.974 11.132 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.027 10.180 4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.174 9.132 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.992 7.921 5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.294 7.899 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.120 8.914 6.809 1.00 0.00 H new ATOM 583 N TYR A 39 -9.051 13.841 2.085 1.00 0.00 N ATOM 584 CA TYR A 39 -7.840 14.621 2.360 1.00 0.00 C ATOM 585 C TYR A 39 -7.205 15.223 1.103 1.00 0.00 C ATOM 586 O TYR A 39 -6.148 15.841 1.202 1.00 0.00 O ATOM 587 CB TYR A 39 -6.842 13.766 3.163 1.00 0.00 C ATOM 588 CG TYR A 39 -7.402 13.228 4.470 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.132 12.025 4.468 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.266 13.954 5.670 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.798 11.597 5.626 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.946 13.534 6.829 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.743 12.367 6.804 1.00 0.00 C ATOM 594 OH TYR A 39 -9.489 12.015 7.887 1.00 0.00 O ATOM 0 H TYR A 39 -8.894 13.087 1.416 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.133 15.480 2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.518 12.928 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.957 14.365 3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.180 11.428 3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.640 14.833 5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.356 10.672 5.614 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.858 14.106 7.741 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.331 12.653 8.614 1.00 0.00 H new ATOM 604 N GLY A 40 -7.822 15.069 -0.068 1.00 0.00 N ATOM 605 CA GLY A 40 -7.266 15.492 -1.344 1.00 0.00 C ATOM 606 C GLY A 40 -7.865 14.607 -2.403 1.00 0.00 C ATOM 607 O GLY A 40 -9.077 14.397 -2.413 1.00 0.00 O ATOM 0 H GLY A 40 -8.742 14.637 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.501 16.538 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.180 15.405 -1.339 1.00 0.00 H new ATOM 611 N LEU A 41 -7.026 14.058 -3.270 1.00 0.00 N ATOM 612 CA LEU A 41 -7.434 13.040 -4.205 1.00 0.00 C ATOM 613 C LEU A 41 -6.254 12.100 -4.361 1.00 0.00 C ATOM 614 O LEU A 41 -5.165 12.499 -4.774 1.00 0.00 O ATOM 615 CB LEU A 41 -7.899 13.720 -5.496 1.00 0.00 C ATOM 616 CG LEU A 41 -8.314 12.812 -6.672 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.161 12.354 -7.570 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.126 11.607 -6.189 1.00 0.00 C ATOM 0 H LEU A 41 -6.041 14.313 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.284 12.445 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.746 14.361 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.096 14.371 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.941 13.446 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.550 11.721 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.670 13.225 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.441 11.790 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.402 10.988 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.526 11.019 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.028 11.954 -5.686 1.00 0.00 H new ATOM 630 N VAL A 42 -6.478 10.857 -3.953 1.00 0.00 N ATOM 631 CA VAL A 42 -5.635 9.718 -4.251 1.00 0.00 C ATOM 632 C VAL A 42 -5.700 9.439 -5.759 1.00 0.00 C ATOM 633 O VAL A 42 -6.692 8.949 -6.296 1.00 0.00 O ATOM 634 CB VAL A 42 -5.975 8.541 -3.318 1.00 0.00 C ATOM 635 CG1 VAL A 42 -7.477 8.297 -3.127 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.353 7.245 -3.837 1.00 0.00 C ATOM 0 H VAL A 42 -7.287 10.611 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.584 9.916 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.561 8.827 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.626 7.451 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.938 9.186 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.936 8.080 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.605 6.425 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.740 7.029 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.270 7.355 -3.885 1.00 0.00 H new ATOM 646 N LYS A 43 -4.623 9.825 -6.431 1.00 0.00 N ATOM 647 CA LYS A 43 -4.388 9.747 -7.865 1.00 0.00 C ATOM 648 C LYS A 43 -4.282 8.292 -8.306 1.00 0.00 C ATOM 649 O LYS A 43 -5.035 7.877 -9.191 1.00 0.00 O ATOM 650 CB LYS A 43 -3.116 10.555 -8.187 1.00 0.00 C ATOM 651 CG LYS A 43 -2.869 10.670 -9.694 1.00 0.00 C ATOM 652 CD LYS A 43 -1.761 11.680 -10.019 1.00 0.00 C ATOM 653 CE LYS A 43 -1.528 11.711 -11.536 1.00 0.00 C ATOM 654 NZ LYS A 43 -0.326 12.487 -11.901 1.00 0.00 N ATOM 0 H LYS A 43 -3.825 10.235 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.223 10.176 -8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.203 11.553 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.256 10.079 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.597 9.693 -10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.791 10.971 -10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.041 12.671 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.840 11.405 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.426 10.691 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.400 12.143 -12.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.209 12.480 -12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.432 13.468 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.511 12.061 -11.455 1.00 0.00 H new ATOM 668 N SER A 44 -3.368 7.538 -7.697 1.00 0.00 N ATOM 669 CA SER A 44 -3.146 6.117 -7.941 1.00 0.00 C ATOM 670 C SER A 44 -2.668 5.430 -6.662 1.00 0.00 C ATOM 671 O SER A 44 -2.266 6.096 -5.704 1.00 0.00 O ATOM 672 CB SER A 44 -2.122 5.935 -9.068 1.00 0.00 C ATOM 673 OG SER A 44 -2.722 6.229 -10.314 1.00 0.00 O ATOM 0 H SER A 44 -2.737 7.918 -6.991 1.00 0.00 H new ATOM 0 HA SER A 44 -4.086 5.656 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.266 6.590 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.746 4.912 -9.068 1.00 0.00 H new ATOM 0 HG SER A 44 -3.594 6.650 -10.166 1.00 0.00 H new ATOM 679 N ILE A 45 -2.753 4.095 -6.639 1.00 0.00 N ATOM 680 CA ILE A 45 -2.466 3.245 -5.492 1.00 0.00 C ATOM 681 C ILE A 45 -1.702 2.036 -6.023 1.00 0.00 C ATOM 682 O ILE A 45 -2.105 1.401 -7.003 1.00 0.00 O ATOM 683 CB ILE A 45 -3.769 2.792 -4.787 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.648 3.959 -4.295 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.440 1.916 -3.571 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.145 3.679 -4.469 1.00 0.00 C ATOM 0 H ILE A 45 -3.037 3.560 -7.459 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.881 3.790 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.328 2.241 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.437 4.150 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.385 4.864 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.365 1.605 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.887 1.035 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.834 2.485 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.719 4.532 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.364 3.515 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.418 2.790 -3.900 1.00 0.00 H new ATOM 698 N GLU A 46 -0.621 1.674 -5.348 1.00 0.00 N ATOM 699 CA GLU A 46 0.331 0.675 -5.812 1.00 0.00 C ATOM 700 C GLU A 46 0.532 -0.387 -4.725 1.00 0.00 C ATOM 701 O GLU A 46 1.049 -0.098 -3.643 1.00 0.00 O ATOM 702 CB GLU A 46 1.628 1.374 -6.244 1.00 0.00 C ATOM 703 CG GLU A 46 2.231 0.748 -7.508 1.00 0.00 C ATOM 704 CD GLU A 46 2.302 1.707 -8.693 1.00 0.00 C ATOM 705 OE1 GLU A 46 1.287 2.334 -9.074 1.00 0.00 O ATOM 706 OE2 GLU A 46 3.393 1.768 -9.307 1.00 0.00 O ATOM 0 H GLU A 46 -0.376 2.075 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.047 0.148 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.427 2.430 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.354 1.322 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.235 0.389 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.638 -0.122 -7.791 1.00 0.00 H new ATOM 713 N ILE A 47 0.038 -1.603 -4.984 1.00 0.00 N ATOM 714 CA ILE A 47 -0.069 -2.702 -4.025 1.00 0.00 C ATOM 715 C ILE A 47 0.585 -3.938 -4.663 1.00 0.00 C ATOM 716 O ILE A 47 -0.074 -4.688 -5.387 1.00 0.00 O ATOM 717 CB ILE A 47 -1.529 -2.959 -3.587 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.246 -1.647 -3.228 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.532 -3.946 -2.405 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.674 -1.833 -2.719 1.00 0.00 C ATOM 0 H ILE A 47 -0.312 -1.856 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 47 0.453 -2.446 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.081 -3.398 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.666 -1.126 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.267 -1.005 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.559 -4.133 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.071 -4.884 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.969 -3.521 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.108 -0.860 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.272 -2.325 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.662 -2.447 -1.819 1.00 0.00 H new ATOM 732 N PRO A 48 1.908 -4.121 -4.526 1.00 0.00 N ATOM 733 CA PRO A 48 2.581 -5.294 -5.069 1.00 0.00 C ATOM 734 C PRO A 48 2.003 -6.539 -4.384 1.00 0.00 C ATOM 735 O PRO A 48 1.911 -6.590 -3.156 1.00 0.00 O ATOM 736 CB PRO A 48 4.074 -5.072 -4.822 1.00 0.00 C ATOM 737 CG PRO A 48 4.102 -4.145 -3.609 1.00 0.00 C ATOM 738 CD PRO A 48 2.812 -3.334 -3.703 1.00 0.00 C ATOM 0 HA PRO A 48 2.431 -5.445 -6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.591 -6.010 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.560 -4.618 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.145 -4.712 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.978 -3.497 -3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.388 -3.158 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.996 -2.357 -4.149 1.00 0.00 H new ATOM 746 N ARG A 49 1.519 -7.504 -5.171 1.00 0.00 N ATOM 747 CA ARG A 49 0.842 -8.695 -4.650 1.00 0.00 C ATOM 748 C ARG A 49 1.852 -9.809 -4.411 1.00 0.00 C ATOM 749 O ARG A 49 2.875 -9.858 -5.104 1.00 0.00 O ATOM 750 CB ARG A 49 -0.259 -9.164 -5.619 1.00 0.00 C ATOM 751 CG ARG A 49 -1.483 -8.228 -5.657 1.00 0.00 C ATOM 752 CD ARG A 49 -2.029 -7.961 -7.050 1.00 0.00 C ATOM 753 NE ARG A 49 -2.529 -9.189 -7.690 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.546 -9.416 -9.005 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.083 -8.498 -9.848 1.00 0.00 N ATOM 756 NH2 ARG A 49 -3.017 -10.560 -9.463 1.00 0.00 N ATOM 0 H ARG A 49 1.586 -7.481 -6.189 1.00 0.00 H new ATOM 0 HA ARG A 49 0.372 -8.439 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.160 -9.242 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.584 -10.163 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.275 -8.662 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.212 -7.277 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.835 -7.229 -6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.246 -7.522 -7.669 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.890 -9.923 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.713 -7.617 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.097 -8.675 -10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.365 -11.265 -8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.033 -10.740 -10.467 1.00 0.00 H new ATOM 770 N PRO A 50 1.603 -10.714 -3.452 1.00 0.00 N ATOM 771 CA PRO A 50 2.534 -11.795 -3.155 1.00 0.00 C ATOM 772 C PRO A 50 2.564 -12.778 -4.322 1.00 0.00 C ATOM 773 O PRO A 50 1.521 -13.137 -4.877 1.00 0.00 O ATOM 774 CB PRO A 50 2.016 -12.444 -1.872 1.00 0.00 C ATOM 775 CG PRO A 50 0.524 -12.161 -1.921 1.00 0.00 C ATOM 776 CD PRO A 50 0.437 -10.797 -2.584 1.00 0.00 C ATOM 0 HA PRO A 50 3.557 -11.446 -3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.223 -13.514 -1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.480 -12.011 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.009 -12.920 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.086 -12.150 -0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.486 -10.696 -3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.442 -9.998 -1.842 1.00 0.00 H new ATOM 866 N PRO A 57 9.617 -7.647 -3.115 1.00 0.00 N ATOM 867 CA PRO A 57 10.003 -6.275 -2.830 1.00 0.00 C ATOM 868 C PRO A 57 8.786 -5.354 -2.916 1.00 0.00 C ATOM 869 O PRO A 57 8.050 -5.352 -3.908 1.00 0.00 O ATOM 870 CB PRO A 57 11.073 -5.908 -3.864 1.00 0.00 C ATOM 871 CG PRO A 57 10.808 -6.849 -5.029 1.00 0.00 C ATOM 872 CD PRO A 57 10.251 -8.091 -4.344 1.00 0.00 C ATOM 0 HA PRO A 57 10.399 -6.164 -1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.991 -4.865 -4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.077 -6.044 -3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.096 -6.425 -5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.719 -7.069 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.532 -8.598 -4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.047 -8.805 -4.132 1.00 0.00 H new ATOM 880 N GLY A 58 8.587 -4.582 -1.857 1.00 0.00 N ATOM 881 CA GLY A 58 7.592 -3.526 -1.734 1.00 0.00 C ATOM 882 C GLY A 58 6.332 -4.023 -1.048 1.00 0.00 C ATOM 883 O GLY A 58 5.416 -3.247 -0.782 1.00 0.00 O ATOM 0 H GLY A 58 9.149 -4.682 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.011 -2.694 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.342 -3.144 -2.724 1.00 0.00 H new ATOM 887 N CYS A 59 6.264 -5.322 -0.760 1.00 0.00 N ATOM 888 CA CYS A 59 5.131 -5.907 -0.087 1.00 0.00 C ATOM 889 C CYS A 59 5.148 -5.499 1.389 1.00 0.00 C ATOM 890 O CYS A 59 6.218 -5.277 1.962 1.00 0.00 O ATOM 891 CB CYS A 59 5.184 -7.420 -0.311 1.00 0.00 C ATOM 892 SG CYS A 59 3.486 -8.057 -0.437 1.00 0.00 S ATOM 0 H CYS A 59 6.999 -5.990 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 59 4.183 -5.546 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.740 -7.647 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.708 -7.905 0.513 1.00 0.00 H new ATOM 0 HG CYS A 59 2.891 -7.508 -1.454 1.00 0.00 H new ATOM 898 N GLY A 60 3.960 -5.360 1.977 1.00 0.00 N ATOM 899 CA GLY A 60 3.719 -4.806 3.307 1.00 0.00 C ATOM 900 C GLY A 60 3.644 -3.277 3.307 1.00 0.00 C ATOM 901 O GLY A 60 3.261 -2.675 4.312 1.00 0.00 O ATOM 0 H GLY A 60 3.097 -5.645 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.787 -5.211 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.515 -5.126 3.979 1.00 0.00 H new ATOM 905 N LYS A 61 3.975 -2.636 2.182 1.00 0.00 N ATOM 906 CA LYS A 61 3.774 -1.216 1.953 1.00 0.00 C ATOM 907 C LYS A 61 2.641 -1.077 0.945 1.00 0.00 C ATOM 908 O LYS A 61 2.314 -2.020 0.211 1.00 0.00 O ATOM 909 CB LYS A 61 5.067 -0.537 1.446 1.00 0.00 C ATOM 910 CG LYS A 61 6.303 -0.790 2.322 1.00 0.00 C ATOM 911 CD LYS A 61 7.105 -2.005 1.829 1.00 0.00 C ATOM 912 CE LYS A 61 8.027 -2.504 2.939 1.00 0.00 C ATOM 913 NZ LYS A 61 8.592 -3.832 2.626 1.00 0.00 N ATOM 0 H LYS A 61 4.402 -3.111 1.387 1.00 0.00 H new ATOM 0 HA LYS A 61 3.515 -0.715 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.275 -0.889 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.897 0.538 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.941 0.094 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.992 -0.953 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.425 -2.801 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.692 -1.733 0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.837 -1.790 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.473 -2.556 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.087 -4.204 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.825 -4.482 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.263 -3.746 1.836 1.00 0.00 H new ATOM 927 N ILE A 62 2.050 0.103 0.901 1.00 0.00 N ATOM 928 CA ILE A 62 1.221 0.611 -0.172 1.00 0.00 C ATOM 929 C ILE A 62 1.832 1.974 -0.448 1.00 0.00 C ATOM 930 O ILE A 62 2.107 2.745 0.477 1.00 0.00 O ATOM 931 CB ILE A 62 -0.269 0.651 0.231 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.757 -0.812 0.340 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.076 1.481 -0.787 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.271 -0.976 0.444 1.00 0.00 C ATOM 0 H ILE A 62 2.144 0.774 1.664 1.00 0.00 H new ATOM 0 HA ILE A 62 1.210 -0.013 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.411 1.142 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.405 -1.363 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.295 -1.270 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.125 1.501 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.688 2.499 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.987 1.031 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.518 -2.035 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.633 -0.458 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.745 -0.553 -0.442 1.00 0.00 H new ATOM 946 N PHE A 63 2.110 2.240 -1.716 1.00 0.00 N ATOM 947 CA PHE A 63 2.531 3.551 -2.166 1.00 0.00 C ATOM 948 C PHE A 63 1.277 4.180 -2.747 1.00 0.00 C ATOM 949 O PHE A 63 0.558 3.525 -3.513 1.00 0.00 O ATOM 950 CB PHE A 63 3.671 3.419 -3.182 1.00 0.00 C ATOM 951 CG PHE A 63 4.807 2.533 -2.697 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.881 3.079 -1.972 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.753 1.141 -2.916 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.901 2.241 -1.486 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.770 0.303 -2.426 1.00 0.00 C ATOM 956 CZ PHE A 63 6.852 0.855 -1.718 1.00 0.00 C ATOM 0 H PHE A 63 2.048 1.547 -2.462 1.00 0.00 H new ATOM 0 HA PHE A 63 2.935 4.176 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.274 3.013 -4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.064 4.410 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.923 4.142 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.925 0.716 -3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.726 2.664 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.720 -0.763 -2.593 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.643 0.216 -1.353 1.00 0.00 H new ATOM 966 N VAL A 64 0.970 5.406 -2.348 1.00 0.00 N ATOM 967 CA VAL A 64 -0.198 6.130 -2.810 1.00 0.00 C ATOM 968 C VAL A 64 0.312 7.450 -3.378 1.00 0.00 C ATOM 969 O VAL A 64 1.316 8.000 -2.914 1.00 0.00 O ATOM 970 CB VAL A 64 -1.234 6.224 -1.668 1.00 0.00 C ATOM 971 CG1 VAL A 64 -0.793 7.110 -0.501 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.595 6.704 -2.160 1.00 0.00 C ATOM 0 H VAL A 64 1.537 5.931 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.746 5.632 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.315 5.201 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.574 7.125 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.126 6.713 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.617 8.124 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.289 6.754 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.493 7.694 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.978 6.008 -2.907 1.00 0.00 H new ATOM 982 N GLU A 65 -0.352 7.932 -4.416 1.00 0.00 N ATOM 983 CA GLU A 65 0.036 9.102 -5.175 1.00 0.00 C ATOM 984 C GLU A 65 -1.097 10.112 -5.008 1.00 0.00 C ATOM 985 O GLU A 65 -2.267 9.712 -5.027 1.00 0.00 O ATOM 986 CB GLU A 65 0.246 8.639 -6.626 1.00 0.00 C ATOM 987 CG GLU A 65 0.960 9.679 -7.488 1.00 0.00 C ATOM 988 CD GLU A 65 1.060 9.301 -8.962 1.00 0.00 C ATOM 989 OE1 GLU A 65 0.052 8.875 -9.568 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.152 9.492 -9.546 1.00 0.00 O ATOM 0 H GLU A 65 -1.208 7.500 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 65 0.961 9.576 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.825 7.716 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.722 8.409 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.434 10.630 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.965 9.834 -7.094 1.00 0.00 H new ATOM 997 N PHE A 66 -0.776 11.392 -4.830 1.00 0.00 N ATOM 998 CA PHE A 66 -1.746 12.456 -4.600 1.00 0.00 C ATOM 999 C PHE A 66 -1.684 13.501 -5.705 1.00 0.00 C ATOM 1000 O PHE A 66 -0.752 13.561 -6.503 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.513 13.114 -3.230 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.247 12.448 -2.089 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.653 11.376 -1.397 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.513 12.929 -1.700 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.305 10.822 -0.284 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.158 12.381 -0.579 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.541 11.341 0.137 1.00 0.00 C ATOM 0 H PHE A 66 0.188 11.724 -4.842 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.740 12.010 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.445 13.107 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.820 14.158 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.701 10.982 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.987 13.719 -2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.856 9.997 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.122 12.757 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.020 10.938 1.017 1.00 0.00 H new ATOM 1017 N THR A 67 -2.688 14.369 -5.717 1.00 0.00 N ATOM 1018 CA THR A 67 -2.803 15.495 -6.619 1.00 0.00 C ATOM 1019 C THR A 67 -1.720 16.562 -6.399 1.00 0.00 C ATOM 1020 O THR A 67 -1.252 17.157 -7.377 1.00 0.00 O ATOM 1021 CB THR A 67 -4.232 16.067 -6.479 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.780 15.817 -5.187 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.126 15.348 -7.491 1.00 0.00 C ATOM 0 H THR A 67 -3.473 14.300 -5.070 1.00 0.00 H new ATOM 0 HA THR A 67 -2.636 15.153 -7.640 1.00 0.00 H new ATOM 0 HB THR A 67 -4.185 17.144 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.495 16.522 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.143 15.732 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.747 15.521 -8.498 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.125 14.278 -7.282 1.00 0.00 H new ATOM 1031 N SER A 68 -1.322 16.853 -5.155 1.00 0.00 N ATOM 1032 CA SER A 68 -0.352 17.903 -4.850 1.00 0.00 C ATOM 1033 C SER A 68 0.266 17.705 -3.468 1.00 0.00 C ATOM 1034 O SER A 68 -0.356 17.117 -2.583 1.00 0.00 O ATOM 1035 CB SER A 68 -1.050 19.270 -4.891 1.00 0.00 C ATOM 1036 OG SER A 68 -1.490 19.620 -6.190 1.00 0.00 O ATOM 0 H SER A 68 -1.667 16.363 -4.330 1.00 0.00 H new ATOM 0 HA SER A 68 0.442 17.856 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.904 19.258 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.364 20.035 -4.526 1.00 0.00 H new ATOM 0 HG SER A 68 -1.346 18.865 -6.798 1.00 0.00 H new ATOM 1042 N VAL A 69 1.459 18.271 -3.263 1.00 0.00 N ATOM 1043 CA VAL A 69 2.231 18.152 -2.024 1.00 0.00 C ATOM 1044 C VAL A 69 1.476 18.805 -0.847 1.00 0.00 C ATOM 1045 O VAL A 69 1.599 18.403 0.308 1.00 0.00 O ATOM 1046 CB VAL A 69 3.640 18.765 -2.213 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.585 18.399 -1.058 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.318 18.282 -3.504 1.00 0.00 C ATOM 0 H VAL A 69 1.925 18.838 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 69 2.356 17.096 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 69 3.474 19.842 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.562 18.850 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.174 18.772 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.690 17.315 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.303 18.740 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.423 17.197 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.709 18.565 -4.363 1.00 0.00 H new ATOM 1058 N PHE A 70 0.654 19.818 -1.133 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.171 20.490 -0.139 1.00 0.00 C ATOM 1060 C PHE A 70 -1.291 19.597 0.391 1.00 0.00 C ATOM 1061 O PHE A 70 -1.758 19.844 1.503 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.791 21.737 -0.785 1.00 0.00 C ATOM 1063 CG PHE A 70 0.186 22.879 -0.993 1.00 0.00 C ATOM 1064 CD1 PHE A 70 0.571 23.670 0.104 1.00 0.00 C ATOM 1065 CD2 PHE A 70 0.715 23.158 -2.268 1.00 0.00 C ATOM 1066 CE1 PHE A 70 1.506 24.708 -0.059 1.00 0.00 C ATOM 1067 CE2 PHE A 70 1.633 24.210 -2.434 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.046 24.974 -1.329 1.00 0.00 C ATOM 0 H PHE A 70 0.545 20.195 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 70 0.466 20.751 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.219 21.459 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.613 22.086 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.146 23.479 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.415 22.564 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.809 25.301 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.023 24.432 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.774 25.761 -1.455 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.723 18.598 -0.386 1.00 0.00 N ATOM 1079 CA ASP A 71 -2.888 17.757 -0.113 1.00 0.00 C ATOM 1080 C ASP A 71 -2.443 16.615 0.785 1.00 0.00 C ATOM 1081 O ASP A 71 -2.981 16.398 1.871 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.487 17.169 -1.413 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.014 18.182 -2.434 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -3.886 19.412 -2.216 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -4.557 17.756 -3.475 1.00 0.00 O ATOM 0 H ASP A 71 -1.251 18.345 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.656 18.366 0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.723 16.560 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.303 16.500 -1.142 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.399 15.910 0.354 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.866 14.763 1.066 1.00 0.00 C ATOM 1092 C CYS A 72 -0.343 15.164 2.443 1.00 0.00 C ATOM 1093 O CYS A 72 -0.436 14.378 3.381 1.00 0.00 O ATOM 1094 CB CYS A 72 0.228 14.101 0.231 1.00 0.00 C ATOM 1095 SG CYS A 72 1.435 15.310 -0.317 1.00 0.00 S ATOM 0 H CYS A 72 -0.898 16.125 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.670 14.043 1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.723 13.328 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.217 13.608 -0.633 1.00 0.00 H new ATOM 0 HG CYS A 72 2.574 14.721 -0.529 1.00 0.00 H new ATOM 1101 N GLN A 73 0.137 16.402 2.597 1.00 0.00 N ATOM 1102 CA GLN A 73 0.496 16.969 3.890 1.00 0.00 C ATOM 1103 C GLN A 73 -0.658 16.898 4.896 1.00 0.00 C ATOM 1104 O GLN A 73 -0.425 16.629 6.080 1.00 0.00 O ATOM 1105 CB GLN A 73 0.990 18.417 3.699 1.00 0.00 C ATOM 1106 CG GLN A 73 2.515 18.449 3.803 1.00 0.00 C ATOM 1107 CD GLN A 73 3.066 19.854 3.946 1.00 0.00 C ATOM 1108 OE1 GLN A 73 2.913 20.479 4.994 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.773 20.352 2.947 1.00 0.00 N ATOM 0 H GLN A 73 0.287 17.041 1.816 1.00 0.00 H new ATOM 0 HA GLN A 73 1.303 16.370 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.672 18.797 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.549 19.067 4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.829 17.852 4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.945 17.984 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.887 19.817 2.086 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.205 21.272 3.036 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.896 17.124 4.445 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.099 17.031 5.265 1.00 0.00 C ATOM 1120 C LYS A 74 -3.396 15.560 5.527 1.00 0.00 C ATOM 1121 O LYS A 74 -3.634 15.181 6.672 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.293 17.731 4.579 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.889 19.049 3.904 1.00 0.00 C ATOM 1124 CD LYS A 74 -5.065 19.924 3.461 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.489 21.067 2.617 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.462 22.141 2.337 1.00 0.00 N ATOM 0 H LYS A 74 -2.089 17.382 3.477 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.936 17.542 6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.724 17.062 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.069 17.928 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.268 19.620 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.273 18.823 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.781 19.341 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.599 20.316 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.629 21.493 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.125 20.663 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.008 22.880 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.272 21.748 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.792 22.552 3.233 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.351 14.724 4.485 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.589 13.292 4.609 1.00 0.00 C ATOM 1142 C ALA A 75 -2.662 12.656 5.646 1.00 0.00 C ATOM 1143 O ALA A 75 -3.119 11.838 6.437 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.432 12.607 3.250 1.00 0.00 C ATOM 0 H ALA A 75 -3.148 15.027 3.532 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.613 13.152 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.613 11.538 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.150 13.027 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.421 12.768 2.876 1.00 0.00 H new ATOM 1150 N MET A 76 -1.386 13.048 5.677 1.00 0.00 N ATOM 1151 CA MET A 76 -0.342 12.502 6.526 1.00 0.00 C ATOM 1152 C MET A 76 -0.812 12.460 7.972 1.00 0.00 C ATOM 1153 O MET A 76 -0.998 11.389 8.549 1.00 0.00 O ATOM 1154 CB MET A 76 0.921 13.376 6.382 1.00 0.00 C ATOM 1155 CG MET A 76 2.177 12.589 6.067 1.00 0.00 C ATOM 1156 SD MET A 76 3.601 12.994 7.109 1.00 0.00 S ATOM 1157 CE MET A 76 3.934 11.329 7.714 1.00 0.00 C ATOM 0 H MET A 76 -1.042 13.796 5.075 1.00 0.00 H new ATOM 0 HA MET A 76 -0.109 11.482 6.222 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.756 14.110 5.593 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.074 13.932 7.307 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.959 11.526 6.169 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.446 12.760 5.025 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.791 11.351 8.387 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.062 10.955 8.250 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.151 10.672 6.871 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.013 13.639 8.554 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.446 13.812 9.927 1.00 0.00 C ATOM 1169 C GLN A 77 -2.864 13.270 10.114 1.00 0.00 C ATOM 1170 O GLN A 77 -3.118 12.629 11.133 1.00 0.00 O ATOM 1171 CB GLN A 77 -1.308 15.281 10.370 1.00 0.00 C ATOM 1172 CG GLN A 77 -1.536 16.315 9.256 1.00 0.00 C ATOM 1173 CD GLN A 77 -2.132 17.612 9.773 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -1.529 18.348 10.548 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -3.355 17.904 9.382 1.00 0.00 N ATOM 0 H GLN A 77 -0.874 14.523 8.064 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.793 13.230 10.578 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.019 15.471 11.174 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.311 15.429 10.785 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.587 16.527 8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.199 15.890 8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.846 17.284 8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.811 18.750 9.724 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.762 13.458 9.142 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.161 13.069 9.261 1.00 0.00 C ATOM 1186 C GLY A 78 -5.336 11.560 9.350 1.00 0.00 C ATOM 1187 O GLY A 78 -6.258 11.073 10.006 1.00 0.00 O ATOM 0 H GLY A 78 -3.532 13.888 8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.591 13.535 10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.715 13.447 8.402 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.429 10.803 8.736 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.525 9.357 8.600 1.00 0.00 C ATOM 1193 C LEU A 79 -3.443 8.646 9.414 1.00 0.00 C ATOM 1194 O LEU A 79 -3.447 7.416 9.500 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.535 8.999 7.105 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.762 9.587 6.360 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.698 9.338 4.849 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.081 9.050 6.939 1.00 0.00 C ATOM 0 H LEU A 79 -3.587 11.191 8.310 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.462 8.996 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.621 9.369 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.533 7.915 6.995 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.731 10.665 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.579 9.768 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.801 9.803 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.669 8.265 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.920 9.482 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.106 7.965 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.154 9.322 7.992 1.00 0.00 H new ATOM 1210 N THR A 80 -2.571 9.396 10.100 1.00 0.00 N ATOM 1211 CA THR A 80 -1.700 8.847 11.127 1.00 0.00 C ATOM 1212 C THR A 80 -2.582 8.136 12.162 1.00 0.00 C ATOM 1213 O THR A 80 -3.488 8.755 12.733 1.00 0.00 O ATOM 1214 CB THR A 80 -0.858 9.960 11.782 1.00 0.00 C ATOM 1215 OG1 THR A 80 -0.045 10.640 10.846 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.122 9.432 12.829 1.00 0.00 C ATOM 0 H THR A 80 -2.456 10.399 9.953 1.00 0.00 H new ATOM 0 HA THR A 80 -0.999 8.137 10.688 1.00 0.00 H new ATOM 0 HB THR A 80 -1.606 10.614 12.230 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.569 10.841 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.685 10.264 13.253 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.430 8.926 13.621 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.811 8.729 12.361 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.336 6.845 12.397 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.984 6.107 13.468 1.00 0.00 C ATOM 1226 C GLY A 81 -4.455 5.820 13.180 1.00 0.00 C ATOM 1227 O GLY A 81 -5.205 5.561 14.126 1.00 0.00 O ATOM 0 H GLY A 81 -1.682 6.288 11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.458 5.165 13.624 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.904 6.675 14.395 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.892 5.902 11.918 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.127 5.312 11.442 1.00 0.00 C ATOM 1233 C ARG A 82 -5.873 3.846 11.078 1.00 0.00 C ATOM 1234 O ARG A 82 -4.794 3.309 11.346 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.614 6.142 10.245 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.109 7.549 10.628 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.380 7.557 11.499 1.00 0.00 C ATOM 1238 NE ARG A 82 -8.185 8.241 12.794 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.074 9.000 13.451 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.268 9.273 12.942 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -8.766 9.508 14.635 1.00 0.00 N ATOM 0 H ARG A 82 -4.376 6.395 11.189 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.905 5.323 12.206 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.801 6.236 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.421 5.606 9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.313 8.069 11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.303 8.114 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.186 8.047 10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.697 6.530 11.680 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.274 8.123 13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.530 8.903 12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.924 9.853 13.464 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.852 9.322 15.048 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.443 10.085 15.134 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.866 3.184 10.487 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.828 1.790 10.070 1.00 0.00 C ATOM 1257 C LYS A 83 -7.290 1.732 8.623 1.00 0.00 C ATOM 1258 O LYS A 83 -8.410 2.137 8.334 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.760 0.956 10.953 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.206 0.820 12.371 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.254 0.233 13.314 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.587 -0.015 14.663 1.00 0.00 C ATOM 1263 NZ LYS A 83 -8.500 -0.673 15.608 1.00 0.00 N ATOM 0 H LYS A 83 -7.760 3.629 10.278 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.820 1.387 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.745 1.422 10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.891 -0.033 10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.323 0.181 12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.889 1.797 12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.094 0.919 13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.653 -0.697 12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.701 -0.634 14.522 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.251 0.933 15.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.012 -0.825 16.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.334 -0.071 15.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.801 -1.589 15.219 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.442 1.237 7.729 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.756 1.047 6.300 1.00 0.00 C ATOM 1279 C PHE A 84 -7.068 -0.436 6.044 1.00 0.00 C ATOM 1280 O PHE A 84 -6.753 -0.977 4.985 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.579 1.560 5.436 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.478 3.049 5.125 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.003 4.045 5.970 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -4.845 3.438 3.930 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -5.895 5.401 5.613 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -4.770 4.788 3.557 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.302 5.770 4.395 1.00 0.00 C ATOM 0 H PHE A 84 -5.495 0.948 7.973 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.637 1.624 6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.655 1.265 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.614 1.028 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.489 3.767 6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.410 2.685 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.270 6.163 6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.302 5.067 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.257 6.810 4.107 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.574 -1.125 7.071 1.00 0.00 N ATOM 1298 CA ALA A 85 -7.891 -2.544 7.061 1.00 0.00 C ATOM 1299 C ALA A 85 -8.491 -2.923 8.407 1.00 0.00 C ATOM 1300 O ALA A 85 -9.607 -3.415 8.505 1.00 0.00 O ATOM 1301 CB ALA A 85 -6.627 -3.394 6.831 1.00 0.00 C ATOM 0 H ALA A 85 -7.780 -0.684 7.967 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.594 -2.735 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.895 -4.451 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.181 -3.130 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.910 -3.203 7.630 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.693 -2.724 9.457 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.916 -3.128 10.847 1.00 0.00 C ATOM 1309 C ASN A 86 -6.694 -2.737 11.683 1.00 0.00 C ATOM 1310 O ASN A 86 -6.797 -2.490 12.883 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.096 -4.656 10.938 1.00 0.00 C ATOM 1312 CG ASN A 86 -8.201 -5.160 12.377 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -8.881 -4.577 13.220 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -7.525 -6.252 12.692 1.00 0.00 N ATOM 0 H ASN A 86 -6.803 -2.237 9.349 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.813 -2.632 11.217 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.994 -4.944 10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.254 -5.145 10.448 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -7.564 -6.620 13.643 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.965 -6.727 11.984 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.515 -2.686 11.053 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.248 -2.468 11.741 1.00 0.00 C ATOM 1323 C ARG A 87 -3.767 -1.042 11.556 1.00 0.00 C ATOM 1324 O ARG A 87 -4.320 -0.277 10.767 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.203 -3.481 11.264 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.768 -4.904 11.378 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.714 -6.002 11.540 1.00 0.00 C ATOM 1328 NE ARG A 87 -2.498 -6.352 12.959 1.00 0.00 N ATOM 1329 CZ ARG A 87 -3.190 -7.265 13.658 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -4.279 -7.840 13.162 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -2.766 -7.603 14.867 1.00 0.00 N ATOM 0 H ARG A 87 -5.418 -2.796 10.044 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.402 -2.621 12.809 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.925 -3.272 10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.296 -3.391 11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.447 -4.943 12.230 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.360 -5.117 10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.027 -6.890 10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.773 -5.670 11.100 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.756 -5.855 13.452 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.608 -7.591 12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.787 -8.531 13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.926 -7.171 15.252 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.280 -8.295 15.413 1.00 0.00 H new ATOM 1345 N VAL A 88 -2.772 -0.686 12.354 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.435 0.702 12.648 1.00 0.00 C ATOM 1347 C VAL A 88 -1.589 1.318 11.534 1.00 0.00 C ATOM 1348 O VAL A 88 -0.420 0.977 11.377 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.822 0.790 14.057 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -0.509 0.023 14.234 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -1.648 2.241 14.514 1.00 0.00 C ATOM 0 H VAL A 88 -2.167 -1.360 12.823 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.335 1.316 12.667 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.552 0.294 14.696 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.153 0.143 15.257 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.675 -1.035 14.029 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.237 0.414 13.542 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.213 2.258 15.513 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.988 2.764 13.822 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.619 2.735 14.533 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.177 2.211 10.744 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.548 2.792 9.569 1.00 0.00 C ATOM 1363 C VAL A 89 -0.373 3.672 9.979 1.00 0.00 C ATOM 1364 O VAL A 89 -0.556 4.770 10.523 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.603 3.534 8.736 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -2.011 4.361 7.585 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.591 2.495 8.208 1.00 0.00 C ATOM 0 H VAL A 89 -3.123 2.556 10.908 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.134 2.008 8.935 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.099 4.261 9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.816 4.856 7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.330 5.111 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.466 3.704 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.356 2.991 7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.061 1.770 7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.062 1.982 9.046 1.00 0.00 H new ATOM 1377 N VAL A 90 0.841 3.199 9.700 1.00 0.00 N ATOM 1378 CA VAL A 90 2.024 4.039 9.694 1.00 0.00 C ATOM 1379 C VAL A 90 2.003 4.800 8.366 1.00 0.00 C ATOM 1380 O VAL A 90 1.901 4.197 7.300 1.00 0.00 O ATOM 1381 CB VAL A 90 3.310 3.224 9.904 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.517 4.167 10.029 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.227 2.368 11.176 1.00 0.00 C ATOM 0 H VAL A 90 1.025 2.222 9.473 1.00 0.00 H new ATOM 0 HA VAL A 90 2.015 4.741 10.528 1.00 0.00 H new ATOM 0 HB VAL A 90 3.428 2.569 9.041 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.423 3.580 10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.613 4.758 9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.372 4.833 10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.152 1.804 11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.082 3.015 12.041 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.388 1.677 11.095 1.00 0.00 H new ATOM 1393 N THR A 91 2.047 6.125 8.441 1.00 0.00 N ATOM 1394 CA THR A 91 2.236 7.045 7.329 1.00 0.00 C ATOM 1395 C THR A 91 3.734 7.366 7.266 1.00 0.00 C ATOM 1396 O THR A 91 4.366 7.525 8.318 1.00 0.00 O ATOM 1397 CB THR A 91 1.391 8.318 7.587 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.307 8.618 8.979 1.00 0.00 O ATOM 1399 CG2 THR A 91 -0.046 8.165 7.086 1.00 0.00 C ATOM 0 H THR A 91 1.946 6.613 9.331 1.00 0.00 H new ATOM 0 HA THR A 91 1.914 6.619 6.379 1.00 0.00 H new ATOM 0 HB THR A 91 1.899 9.116 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.061 9.559 9.097 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.601 9.081 7.288 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.039 7.974 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.524 7.331 7.600 1.00 0.00 H new ATOM 1407 N LYS A 92 4.313 7.496 6.070 1.00 0.00 N ATOM 1408 CA LYS A 92 5.665 8.023 5.857 1.00 0.00 C ATOM 1409 C LYS A 92 5.725 8.728 4.513 1.00 0.00 C ATOM 1410 O LYS A 92 4.997 8.346 3.602 1.00 0.00 O ATOM 1411 CB LYS A 92 6.700 6.887 5.841 1.00 0.00 C ATOM 1412 CG LYS A 92 7.420 6.737 7.184 1.00 0.00 C ATOM 1413 CD LYS A 92 8.792 6.061 7.057 1.00 0.00 C ATOM 1414 CE LYS A 92 9.893 7.015 6.549 1.00 0.00 C ATOM 1415 NZ LYS A 92 9.997 7.112 5.076 1.00 0.00 N ATOM 0 H LYS A 92 3.845 7.232 5.203 1.00 0.00 H new ATOM 0 HA LYS A 92 5.892 8.711 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.203 5.950 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.433 7.078 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.547 7.722 7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.796 6.155 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.085 5.662 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.711 5.214 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.707 8.010 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.853 6.684 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.982 7.316 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.702 6.212 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.380 7.877 4.734 1.00 0.00 H new ATOM 1429 N TYR A 93 6.644 9.677 4.347 1.00 0.00 N ATOM 1430 CA TYR A 93 6.915 10.239 3.032 1.00 0.00 C ATOM 1431 C TYR A 93 7.707 9.233 2.192 1.00 0.00 C ATOM 1432 O TYR A 93 8.350 8.321 2.731 1.00 0.00 O ATOM 1433 CB TYR A 93 7.594 11.611 3.182 1.00 0.00 C ATOM 1434 CG TYR A 93 6.626 12.712 3.584 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.468 12.945 2.823 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.846 13.475 4.744 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.525 13.899 3.219 1.00 0.00 C ATOM 1438 CE2 TYR A 93 5.927 14.468 5.128 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.758 14.681 4.366 1.00 0.00 C ATOM 1440 OH TYR A 93 3.876 15.659 4.688 1.00 0.00 O ATOM 0 H TYR A 93 7.208 10.068 5.102 1.00 0.00 H new ATOM 0 HA TYR A 93 5.988 10.420 2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.385 11.539 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.070 11.880 2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.304 12.379 1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.726 13.298 5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.620 14.035 2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.116 15.068 6.006 1.00 0.00 H new ATOM 0 HH TYR A 93 4.172 16.111 5.506 1.00 0.00 H new ATOM 1450 N CYS A 94 7.637 9.402 0.872 1.00 0.00 N ATOM 1451 CA CYS A 94 8.268 8.600 -0.174 1.00 0.00 C ATOM 1452 C CYS A 94 8.696 9.532 -1.316 1.00 0.00 C ATOM 1453 O CYS A 94 8.526 10.749 -1.194 1.00 0.00 O ATOM 1454 CB CYS A 94 7.272 7.530 -0.642 1.00 0.00 C ATOM 1455 SG CYS A 94 7.847 5.904 -0.077 1.00 0.00 S ATOM 0 H CYS A 94 7.092 10.167 0.475 1.00 0.00 H new ATOM 0 HA CYS A 94 9.158 8.091 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.279 7.738 -0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.188 7.543 -1.729 1.00 0.00 H new ATOM 0 HG CYS A 94 6.857 5.062 -0.099 1.00 0.00 H new ATOM 1461 N ASP A 95 9.239 9.004 -2.415 1.00 0.00 N ATOM 1462 CA ASP A 95 9.824 9.846 -3.460 1.00 0.00 C ATOM 1463 C ASP A 95 9.233 9.454 -4.818 1.00 0.00 C ATOM 1464 O ASP A 95 9.036 8.264 -5.077 1.00 0.00 O ATOM 1465 CB ASP A 95 11.360 9.734 -3.481 1.00 0.00 C ATOM 1466 CG ASP A 95 12.011 9.898 -2.107 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.228 11.042 -1.647 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.300 8.851 -1.480 1.00 0.00 O ATOM 0 H ASP A 95 9.286 8.003 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 95 9.580 10.886 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.638 8.763 -3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.761 10.491 -4.155 1.00 0.00 H new ATOM 1473 N PRO A 96 9.004 10.419 -5.722 1.00 0.00 N ATOM 1474 CA PRO A 96 8.309 10.174 -6.979 1.00 0.00 C ATOM 1475 C PRO A 96 9.162 9.391 -7.970 1.00 0.00 C ATOM 1476 O PRO A 96 8.604 8.592 -8.709 1.00 0.00 O ATOM 1477 CB PRO A 96 7.902 11.552 -7.508 1.00 0.00 C ATOM 1478 CG PRO A 96 8.953 12.466 -6.895 1.00 0.00 C ATOM 1479 CD PRO A 96 9.187 11.845 -5.531 1.00 0.00 C ATOM 0 HA PRO A 96 7.433 9.544 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.918 11.589 -8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.894 11.825 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.866 12.489 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.598 13.494 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.189 12.067 -5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.485 12.236 -4.795 1.00 0.00 H new ATOM 1487 N ASP A 97 10.492 9.532 -7.943 1.00 0.00 N ATOM 1488 CA ASP A 97 11.386 8.782 -8.835 1.00 0.00 C ATOM 1489 C ASP A 97 11.151 7.282 -8.687 1.00 0.00 C ATOM 1490 O ASP A 97 11.137 6.536 -9.668 1.00 0.00 O ATOM 1491 CB ASP A 97 12.862 9.067 -8.518 1.00 0.00 C ATOM 1492 CG ASP A 97 13.668 9.430 -9.770 1.00 0.00 C ATOM 1493 OD1 ASP A 97 13.653 8.671 -10.765 1.00 0.00 O ATOM 1494 OD2 ASP A 97 14.288 10.516 -9.761 1.00 0.00 O ATOM 0 H ASP A 97 10.977 10.165 -7.307 1.00 0.00 H new ATOM 0 HA ASP A 97 11.165 9.103 -9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.925 9.884 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.305 8.191 -8.045 1.00 0.00 H new ATOM 1499 N SER A 98 10.979 6.837 -7.440 1.00 0.00 N ATOM 1500 CA SER A 98 10.711 5.451 -7.120 1.00 0.00 C ATOM 1501 C SER A 98 9.342 5.033 -7.680 1.00 0.00 C ATOM 1502 O SER A 98 9.214 3.952 -8.257 1.00 0.00 O ATOM 1503 CB SER A 98 10.828 5.201 -5.601 1.00 0.00 C ATOM 1504 OG SER A 98 11.026 6.384 -4.833 1.00 0.00 O ATOM 0 H SER A 98 11.024 7.444 -6.621 1.00 0.00 H new ATOM 0 HA SER A 98 11.465 4.824 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.923 4.702 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.658 4.518 -5.418 1.00 0.00 H new ATOM 0 HG SER A 98 10.233 6.956 -4.903 1.00 0.00 H new ATOM 1510 N TYR A 99 8.333 5.897 -7.511 1.00 0.00 N ATOM 1511 CA TYR A 99 6.939 5.661 -7.871 1.00 0.00 C ATOM 1512 C TYR A 99 6.717 5.644 -9.389 1.00 0.00 C ATOM 1513 O TYR A 99 5.904 4.858 -9.879 1.00 0.00 O ATOM 1514 CB TYR A 99 6.065 6.743 -7.213 1.00 0.00 C ATOM 1515 CG TYR A 99 4.586 6.435 -7.300 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.993 5.578 -6.357 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.817 6.923 -8.371 1.00 0.00 C ATOM 1518 CE1 TYR A 99 2.681 5.114 -6.550 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.504 6.474 -8.561 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.950 5.505 -7.693 1.00 0.00 C ATOM 1521 OH TYR A 99 0.751 4.920 -7.967 1.00 0.00 O ATOM 0 H TYR A 99 8.478 6.820 -7.101 1.00 0.00 H new ATOM 0 HA TYR A 99 6.658 4.673 -7.506 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.349 6.846 -6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.260 7.702 -7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.548 5.275 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.241 7.648 -9.051 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.230 4.456 -5.822 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.912 6.869 -9.374 1.00 0.00 H new ATOM 0 HH TYR A 99 0.901 4.030 -8.349 1.00 0.00 H new ATOM 1531 N HIS A 100 7.436 6.477 -10.152 1.00 0.00 N ATOM 1532 CA HIS A 100 7.363 6.536 -11.615 1.00 0.00 C ATOM 1533 C HIS A 100 7.840 5.238 -12.283 1.00 0.00 C ATOM 1534 O HIS A 100 7.708 5.078 -13.503 1.00 0.00 O ATOM 1535 CB HIS A 100 8.259 7.669 -12.139 1.00 0.00 C ATOM 1536 CG HIS A 100 7.949 9.071 -11.686 1.00 0.00 C ATOM 1537 ND1 HIS A 100 8.889 10.074 -11.623 1.00 0.00 N ATOM 1538 CD2 HIS A 100 6.734 9.597 -11.321 1.00 0.00 C ATOM 1539 CE1 HIS A 100 8.264 11.187 -11.215 1.00 0.00 C ATOM 1540 NE2 HIS A 100 6.946 10.958 -11.048 1.00 0.00 N ATOM 0 H HIS A 100 8.100 7.144 -9.759 1.00 0.00 H new ATOM 0 HA HIS A 100 6.314 6.701 -11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.287 7.444 -11.854 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.220 7.652 -13.228 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.796 9.066 -11.256 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.749 12.137 -11.044 1.00 0.00 H new ATOM 0 HE2 HIS A 100 6.239 11.641 -10.776 1.00 0.00 H new ATOM 1548 N ARG A 101 8.448 4.334 -11.515 1.00 0.00 N ATOM 1549 CA ARG A 101 9.050 3.091 -11.959 1.00 0.00 C ATOM 1550 C ARG A 101 8.606 1.997 -10.991 1.00 0.00 C ATOM 1551 O ARG A 101 7.629 2.151 -10.261 1.00 0.00 O ATOM 1552 CB ARG A 101 10.580 3.252 -12.033 1.00 0.00 C ATOM 1553 CG ARG A 101 11.043 4.453 -12.873 1.00 0.00 C ATOM 1554 CD ARG A 101 12.541 4.326 -13.141 1.00 0.00 C ATOM 1555 NE ARG A 101 13.124 5.564 -13.668 1.00 0.00 N ATOM 1556 CZ ARG A 101 14.429 5.757 -13.878 1.00 0.00 C ATOM 1557 NH1 ARG A 101 15.293 4.759 -13.719 1.00 0.00 N ATOM 1558 NH2 ARG A 101 14.861 6.958 -14.242 1.00 0.00 N ATOM 0 H ARG A 101 8.535 4.464 -10.507 1.00 0.00 H new ATOM 0 HA ARG A 101 8.726 2.816 -12.963 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.973 3.356 -11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.011 2.342 -12.451 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.494 4.488 -13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.833 5.384 -12.346 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.050 4.053 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.713 3.517 -13.851 1.00 0.00 H new ATOM 0 HE ARG A 101 12.489 6.331 -13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.961 3.837 -13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 101 16.288 4.915 -13.881 1.00 0.00 H new ATOM 0 HH21 ARG A 101 14.198 7.724 -14.359 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.856 7.115 -14.404 1.00 0.00 H new ATOM 1572 N ARG A 102 9.278 0.851 -11.022 1.00 0.00 N ATOM 1573 CA ARG A 102 8.973 -0.312 -10.198 1.00 0.00 C ATOM 1574 C ARG A 102 10.058 -0.531 -9.141 1.00 0.00 C ATOM 1575 O ARG A 102 10.316 -1.677 -8.760 1.00 0.00 O ATOM 1576 CB ARG A 102 8.688 -1.512 -11.124 1.00 0.00 C ATOM 1577 CG ARG A 102 7.221 -1.769 -11.469 1.00 0.00 C ATOM 1578 CD ARG A 102 6.430 -0.515 -11.842 1.00 0.00 C ATOM 1579 NE ARG A 102 5.266 -0.875 -12.665 1.00 0.00 N ATOM 1580 CZ ARG A 102 3.979 -0.888 -12.309 1.00 0.00 C ATOM 1581 NH1 ARG A 102 3.522 -0.324 -11.199 1.00 0.00 N ATOM 1582 NH2 ARG A 102 3.112 -1.518 -13.086 1.00 0.00 N ATOM 0 H ARG A 102 10.075 0.702 -11.641 1.00 0.00 H new ATOM 0 HA ARG A 102 8.067 -0.160 -9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.237 -1.364 -12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.091 -2.409 -10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.174 -2.474 -12.299 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.739 -2.248 -10.617 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.101 -0.002 -10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.070 0.179 -12.388 1.00 0.00 H new ATOM 0 HE ARG A 102 5.466 -1.149 -13.627 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.165 0.151 -10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.527 -0.365 -10.978 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.432 -1.981 -13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.124 -1.541 -12.834 1.00 0.00 H new ATOM 1596 N ASP A 103 10.725 0.537 -8.688 1.00 0.00 N ATOM 1597 CA ASP A 103 11.831 0.450 -7.729 1.00 0.00 C ATOM 1598 C ASP A 103 11.279 0.279 -6.312 1.00 0.00 C ATOM 1599 O ASP A 103 11.215 1.211 -5.509 1.00 0.00 O ATOM 1600 CB ASP A 103 12.756 1.668 -7.836 1.00 0.00 C ATOM 1601 CG ASP A 103 14.075 1.442 -7.095 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.290 0.351 -6.517 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.948 2.330 -7.206 1.00 0.00 O ATOM 0 H ASP A 103 10.511 1.491 -8.979 1.00 0.00 H new ATOM 0 HA ASP A 103 12.435 -0.426 -7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.960 1.879 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.253 2.544 -7.426 1.00 0.00 H new ATOM 1608 N PHE A 104 10.757 -0.913 -6.038 1.00 0.00 N ATOM 1609 CA PHE A 104 9.913 -1.168 -4.877 1.00 0.00 C ATOM 1610 C PHE A 104 10.620 -1.844 -3.710 1.00 0.00 C ATOM 1611 O PHE A 104 10.018 -2.048 -2.664 1.00 0.00 O ATOM 1612 CB PHE A 104 8.755 -2.041 -5.341 1.00 0.00 C ATOM 1613 CG PHE A 104 7.792 -1.425 -6.344 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.704 -0.026 -6.528 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.000 -2.277 -7.138 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.857 0.501 -7.512 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.143 -1.742 -8.116 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.068 -0.355 -8.288 1.00 0.00 C ATOM 0 H PHE A 104 10.910 -1.736 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 104 9.588 -0.201 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.169 -2.949 -5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.184 -2.343 -4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.290 0.637 -5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.051 -3.346 -6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.813 1.568 -7.671 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.546 -2.398 -8.731 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.396 0.058 -9.026 1.00 0.00 H new