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 159:sc= -0.125 (180deg=-0.535) USER MOD Set 1.2: A 80 THR OG1 : rot -34:sc= 0.454 USER MOD Set 1.3: A 91 THR OG1 : rot 170:sc= 1.49 USER MOD Set 2.1: A 9 CYS SG : rot 71:sc= 0.32 USER MOD Set 2.2: A 11 MET CE :methyl 155:sc= -1.54 (180deg=-2.72!) USER MOD Single : A 3 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-0.7) USER MOD Single : A 5 THR OG1 : rot -173:sc= 1.33 USER MOD Single : A 12 ASN : amide:sc= 0.628 K(o=0.63,f=-0.04) USER MOD Single : A 13 MET CE :methyl -173:sc= -2.06 (180deg=-2.16) USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 CYS SG : rot -65:sc= -0.849 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= -0.062 (180deg=-0.179) 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 180:sc= -0.0344 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0377 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 34:sc= 1.17 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 72 CYS SG : rot 51:sc= -0.0685 USER MOD Single : A 73 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.22) 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=-0.068) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0394 USER MOD Single : A 94 CYS SG : rot 176:sc= 0.352 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0735 USER MOD Single : A 99 TYR OH : rot 150:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.486 15.581 1.377 1.00 0.00 N ATOM 16 CA HIS A 3 11.433 16.548 1.089 1.00 0.00 C ATOM 17 C HIS A 3 10.058 15.864 1.140 1.00 0.00 C ATOM 18 O HIS A 3 9.969 14.672 0.839 1.00 0.00 O ATOM 19 CB HIS A 3 11.681 17.203 -0.280 1.00 0.00 C ATOM 20 CG HIS A 3 11.764 16.277 -1.471 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.913 15.737 -2.008 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.734 15.967 -2.317 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.588 15.115 -3.153 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.269 15.231 -3.381 1.00 0.00 N ATOM 0 HA HIS A 3 11.446 17.332 1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.882 17.922 -0.463 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.611 17.768 -0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.697 16.240 -2.187 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.285 14.598 -3.796 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.755 14.854 -4.178 1.00 0.00 H new ATOM 32 N PRO A 4 8.968 16.586 1.465 1.00 0.00 N ATOM 33 CA PRO A 4 7.626 16.075 1.239 1.00 0.00 C ATOM 34 C PRO A 4 7.398 15.948 -0.266 1.00 0.00 C ATOM 35 O PRO A 4 7.618 16.913 -1.004 1.00 0.00 O ATOM 36 CB PRO A 4 6.677 17.077 1.885 1.00 0.00 C ATOM 37 CG PRO A 4 7.455 18.393 1.864 1.00 0.00 C ATOM 38 CD PRO A 4 8.922 17.965 1.931 1.00 0.00 C ATOM 0 HA PRO A 4 7.465 15.088 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.743 17.157 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.418 16.783 2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.248 18.963 0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.187 19.027 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.543 18.607 1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.304 18.044 2.949 1.00 0.00 H new ATOM 46 N THR A 5 6.987 14.768 -0.697 1.00 0.00 N ATOM 47 CA THR A 5 6.664 14.428 -2.075 1.00 0.00 C ATOM 48 C THR A 5 5.141 14.467 -2.247 1.00 0.00 C ATOM 49 O THR A 5 4.405 14.742 -1.296 1.00 0.00 O ATOM 50 CB THR A 5 7.266 13.041 -2.384 1.00 0.00 C ATOM 51 OG1 THR A 5 6.898 12.129 -1.369 1.00 0.00 O ATOM 52 CG2 THR A 5 8.793 13.092 -2.427 1.00 0.00 C ATOM 0 H THR A 5 6.863 13.979 -0.063 1.00 0.00 H new ATOM 0 HA THR A 5 7.089 15.141 -2.782 1.00 0.00 H new ATOM 0 HB THR A 5 6.885 12.728 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.374 11.283 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.184 12.099 -2.647 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.112 13.788 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.173 13.426 -1.462 1.00 0.00 H new ATOM 60 N GLU A 6 4.668 14.198 -3.464 1.00 0.00 N ATOM 61 CA GLU A 6 3.249 14.075 -3.779 1.00 0.00 C ATOM 62 C GLU A 6 2.738 12.649 -3.452 1.00 0.00 C ATOM 63 O GLU A 6 1.613 12.307 -3.824 1.00 0.00 O ATOM 64 CB GLU A 6 2.979 14.513 -5.248 1.00 0.00 C ATOM 65 CG GLU A 6 3.805 15.742 -5.707 1.00 0.00 C ATOM 66 CD GLU A 6 3.081 16.766 -6.592 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.558 16.409 -7.670 1.00 0.00 O ATOM 68 OE2 GLU A 6 3.085 17.981 -6.268 1.00 0.00 O ATOM 0 H GLU A 6 5.274 14.057 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 6 2.675 14.753 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.196 13.675 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.919 14.740 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.170 16.258 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.679 15.382 -6.249 1.00 0.00 H new ATOM 75 N VAL A 7 3.538 11.791 -2.787 1.00 0.00 N ATOM 76 CA VAL A 7 3.173 10.431 -2.443 1.00 0.00 C ATOM 77 C VAL A 7 3.413 10.147 -0.958 1.00 0.00 C ATOM 78 O VAL A 7 4.198 10.816 -0.282 1.00 0.00 O ATOM 79 CB VAL A 7 3.914 9.427 -3.338 1.00 0.00 C ATOM 80 CG1 VAL A 7 3.918 9.820 -4.813 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.299 9.006 -2.886 1.00 0.00 C ATOM 0 H VAL A 7 4.475 12.045 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 7 2.104 10.312 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 7 3.302 8.533 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.458 9.068 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.892 9.886 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.407 10.787 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.715 8.296 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.944 9.882 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.234 8.536 -1.905 1.00 0.00 H new ATOM 91 N LEU A 8 2.808 9.063 -0.480 1.00 0.00 N ATOM 92 CA LEU A 8 2.692 8.724 0.921 1.00 0.00 C ATOM 93 C LEU A 8 2.865 7.209 1.022 1.00 0.00 C ATOM 94 O LEU A 8 2.194 6.446 0.327 1.00 0.00 O ATOM 95 CB LEU A 8 1.313 9.220 1.386 1.00 0.00 C ATOM 96 CG LEU A 8 1.042 9.198 2.889 1.00 0.00 C ATOM 97 CD1 LEU A 8 1.791 10.312 3.625 1.00 0.00 C ATOM 98 CD2 LEU A 8 -0.463 9.420 3.113 1.00 0.00 C ATOM 0 H LEU A 8 2.369 8.373 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 8 3.443 9.187 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.184 10.243 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.551 8.614 0.895 1.00 0.00 H new ATOM 0 HG LEU A 8 1.380 8.237 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.568 10.258 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.863 10.192 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.475 11.281 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.678 9.408 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.755 10.384 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.025 8.626 2.621 1.00 0.00 H new ATOM 110 N CYS A 9 3.821 6.762 1.830 1.00 0.00 N ATOM 111 CA CYS A 9 4.040 5.359 2.139 1.00 0.00 C ATOM 112 C CYS A 9 3.130 5.010 3.307 1.00 0.00 C ATOM 113 O CYS A 9 3.063 5.752 4.295 1.00 0.00 O ATOM 114 CB CYS A 9 5.509 5.137 2.521 1.00 0.00 C ATOM 115 SG CYS A 9 5.880 3.379 2.801 1.00 0.00 S ATOM 0 H CYS A 9 4.480 7.384 2.298 1.00 0.00 H new ATOM 0 HA CYS A 9 3.817 4.727 1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.152 5.522 1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.739 5.704 3.423 1.00 0.00 H new ATOM 0 HG CYS A 9 5.869 2.747 1.665 1.00 0.00 H new ATOM 121 N LEU A 10 2.458 3.868 3.203 1.00 0.00 N ATOM 122 CA LEU A 10 1.458 3.395 4.133 1.00 0.00 C ATOM 123 C LEU A 10 1.836 1.971 4.516 1.00 0.00 C ATOM 124 O LEU A 10 2.102 1.139 3.647 1.00 0.00 O ATOM 125 CB LEU A 10 0.102 3.355 3.431 1.00 0.00 C ATOM 126 CG LEU A 10 -0.371 4.684 2.836 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.714 4.406 2.162 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.423 5.777 3.909 1.00 0.00 C ATOM 0 H LEU A 10 2.609 3.222 2.428 1.00 0.00 H new ATOM 0 HA LEU A 10 1.404 4.045 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.148 2.615 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.647 3.009 4.144 1.00 0.00 H new ATOM 0 HG LEU A 10 0.324 5.071 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.096 5.326 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.581 3.656 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.423 4.037 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.762 6.711 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.115 5.481 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.571 5.918 4.333 1.00 0.00 H new ATOM 140 N MET A 11 1.852 1.655 5.806 1.00 0.00 N ATOM 141 CA MET A 11 2.196 0.309 6.258 1.00 0.00 C ATOM 142 C MET A 11 1.091 -0.245 7.146 1.00 0.00 C ATOM 143 O MET A 11 0.268 0.508 7.681 1.00 0.00 O ATOM 144 CB MET A 11 3.558 0.324 6.967 1.00 0.00 C ATOM 145 CG MET A 11 4.719 0.682 6.022 1.00 0.00 C ATOM 146 SD MET A 11 5.804 2.014 6.606 1.00 0.00 S ATOM 147 CE MET A 11 4.662 3.410 6.439 1.00 0.00 C ATOM 0 H MET A 11 1.632 2.309 6.557 1.00 0.00 H new ATOM 0 HA MET A 11 2.283 -0.354 5.397 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.528 1.042 7.786 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.744 -0.655 7.408 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.322 -0.211 5.858 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.305 0.969 5.055 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.952 4.202 7.129 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.697 3.788 5.417 1.00 0.00 H new ATOM 0 HE3 MET A 11 3.649 3.081 6.670 1.00 0.00 H new ATOM 157 N ASN A 12 1.127 -1.566 7.339 1.00 0.00 N ATOM 158 CA ASN A 12 0.296 -2.387 8.220 1.00 0.00 C ATOM 159 C ASN A 12 -1.122 -2.591 7.674 1.00 0.00 C ATOM 160 O ASN A 12 -2.031 -2.949 8.424 1.00 0.00 O ATOM 161 CB ASN A 12 0.256 -1.828 9.650 1.00 0.00 C ATOM 162 CG ASN A 12 1.619 -1.499 10.245 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.631 -2.156 9.988 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.661 -0.458 11.056 1.00 0.00 N ATOM 0 H ASN A 12 1.802 -2.140 6.835 1.00 0.00 H new ATOM 0 HA ASN A 12 0.770 -3.368 8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.355 -0.925 9.655 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.241 -2.553 10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.544 -0.181 11.485 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.811 0.070 11.253 1.00 0.00 H new ATOM 171 N MET A 13 -1.351 -2.323 6.390 1.00 0.00 N ATOM 172 CA MET A 13 -2.660 -2.463 5.759 1.00 0.00 C ATOM 173 C MET A 13 -2.966 -3.957 5.573 1.00 0.00 C ATOM 174 O MET A 13 -3.998 -4.448 6.032 1.00 0.00 O ATOM 175 CB MET A 13 -2.732 -1.711 4.409 1.00 0.00 C ATOM 176 CG MET A 13 -1.799 -0.508 4.185 1.00 0.00 C ATOM 177 SD MET A 13 -2.623 1.032 3.762 1.00 0.00 S ATOM 178 CE MET A 13 -2.706 1.649 5.448 1.00 0.00 C ATOM 0 H MET A 13 -0.624 -1.999 5.752 1.00 0.00 H new ATOM 0 HA MET A 13 -3.411 -2.012 6.407 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.536 -2.434 3.617 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.757 -1.364 4.278 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.212 -0.351 5.090 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.097 -0.756 3.389 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.299 2.563 5.472 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.170 0.898 6.088 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.699 1.861 5.808 1.00 0.00 H new ATOM 188 N VAL A 14 -2.025 -4.659 4.939 1.00 0.00 N ATOM 189 CA VAL A 14 -2.144 -5.975 4.310 1.00 0.00 C ATOM 190 C VAL A 14 -0.943 -6.840 4.733 1.00 0.00 C ATOM 191 O VAL A 14 -0.019 -6.336 5.389 1.00 0.00 O ATOM 192 CB VAL A 14 -2.231 -5.771 2.772 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.592 -5.177 2.372 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.093 -4.884 2.222 1.00 0.00 C ATOM 0 H VAL A 14 -1.079 -4.289 4.845 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.045 -6.499 4.629 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.121 -6.760 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.627 -5.044 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.389 -5.853 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.726 -4.212 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.205 -4.776 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.138 -3.901 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.131 -5.347 2.443 1.00 0.00 H new ATOM 204 N LEU A 15 -0.911 -8.125 4.362 1.00 0.00 N ATOM 205 CA LEU A 15 0.209 -9.036 4.641 1.00 0.00 C ATOM 206 C LEU A 15 0.767 -9.573 3.319 1.00 0.00 C ATOM 207 O LEU A 15 0.005 -9.726 2.366 1.00 0.00 O ATOM 208 CB LEU A 15 -0.244 -10.195 5.553 1.00 0.00 C ATOM 209 CG LEU A 15 -0.653 -9.811 6.987 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.082 -11.077 7.737 1.00 0.00 C ATOM 211 CD2 LEU A 15 0.481 -9.137 7.771 1.00 0.00 C ATOM 0 H LEU A 15 -1.674 -8.570 3.851 1.00 0.00 H new ATOM 0 HA LEU A 15 0.993 -8.489 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.088 -10.695 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.566 -10.922 5.611 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.470 -9.094 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.374 -10.816 8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.927 -11.535 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.251 -11.781 7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.133 -8.890 8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.330 -9.817 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.786 -8.225 7.258 1.00 0.00 H new ATOM 223 N PRO A 16 2.071 -9.901 3.233 1.00 0.00 N ATOM 224 CA PRO A 16 2.720 -10.258 1.967 1.00 0.00 C ATOM 225 C PRO A 16 2.245 -11.598 1.388 1.00 0.00 C ATOM 226 O PRO A 16 2.492 -11.876 0.221 1.00 0.00 O ATOM 227 CB PRO A 16 4.218 -10.316 2.288 1.00 0.00 C ATOM 228 CG PRO A 16 4.224 -10.742 3.755 1.00 0.00 C ATOM 229 CD PRO A 16 3.045 -9.947 4.316 1.00 0.00 C ATOM 0 HA PRO A 16 2.472 -9.523 1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.741 -11.032 1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.702 -9.350 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.084 -11.817 3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.161 -10.488 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.629 -10.429 5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.351 -8.944 4.614 1.00 0.00 H new ATOM 237 N GLU A 17 1.565 -12.409 2.195 1.00 0.00 N ATOM 238 CA GLU A 17 1.195 -13.794 1.928 1.00 0.00 C ATOM 239 C GLU A 17 -0.331 -13.937 1.874 1.00 0.00 C ATOM 240 O GLU A 17 -0.854 -15.048 1.930 1.00 0.00 O ATOM 241 CB GLU A 17 1.862 -14.703 2.984 1.00 0.00 C ATOM 242 CG GLU A 17 1.437 -14.392 4.435 1.00 0.00 C ATOM 243 CD GLU A 17 2.167 -15.250 5.477 1.00 0.00 C ATOM 244 OE1 GLU A 17 3.385 -15.502 5.335 1.00 0.00 O ATOM 245 OE2 GLU A 17 1.561 -15.620 6.510 1.00 0.00 O ATOM 0 H GLU A 17 1.238 -12.096 3.109 1.00 0.00 H new ATOM 0 HA GLU A 17 1.559 -14.109 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.620 -15.742 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.944 -14.603 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.626 -13.339 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.363 -14.549 4.533 1.00 0.00 H new ATOM 252 N GLU A 18 -1.039 -12.804 1.797 1.00 0.00 N ATOM 253 CA GLU A 18 -2.493 -12.678 1.826 1.00 0.00 C ATOM 254 C GLU A 18 -2.942 -11.612 0.803 1.00 0.00 C ATOM 255 O GLU A 18 -3.993 -11.000 0.972 1.00 0.00 O ATOM 256 CB GLU A 18 -2.942 -12.282 3.249 1.00 0.00 C ATOM 257 CG GLU A 18 -2.719 -13.312 4.368 1.00 0.00 C ATOM 258 CD GLU A 18 -3.771 -14.426 4.357 1.00 0.00 C ATOM 259 OE1 GLU A 18 -3.850 -15.173 3.355 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.562 -14.523 5.324 1.00 0.00 O ATOM 0 H GLU A 18 -0.580 -11.898 1.707 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.952 -13.631 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.421 -11.365 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.006 -12.046 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.727 -13.752 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.740 -12.806 5.333 1.00 0.00 H new ATOM 267 N LEU A 19 -2.132 -11.317 -0.221 1.00 0.00 N ATOM 268 CA LEU A 19 -2.357 -10.308 -1.267 1.00 0.00 C ATOM 269 C LEU A 19 -2.521 -11.057 -2.582 1.00 0.00 C ATOM 270 O LEU A 19 -1.639 -11.036 -3.436 1.00 0.00 O ATOM 271 CB LEU A 19 -1.149 -9.357 -1.322 1.00 0.00 C ATOM 272 CG LEU A 19 -1.212 -8.189 -0.332 1.00 0.00 C ATOM 273 CD1 LEU A 19 0.153 -7.484 -0.325 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.302 -7.192 -0.748 1.00 0.00 C ATOM 0 H LEU A 19 -1.246 -11.806 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.245 -9.709 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.242 -9.931 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.064 -8.956 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.451 -8.566 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.127 -6.649 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.925 -8.190 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.376 -7.113 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.334 -6.369 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.079 -6.803 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.269 -7.695 -0.764 1.00 0.00 H new ATOM 286 N LEU A 20 -3.588 -11.837 -2.681 1.00 0.00 N ATOM 287 CA LEU A 20 -3.694 -12.912 -3.657 1.00 0.00 C ATOM 288 C LEU A 20 -5.064 -12.869 -4.312 1.00 0.00 C ATOM 289 O LEU A 20 -5.171 -12.991 -5.531 1.00 0.00 O ATOM 290 CB LEU A 20 -3.438 -14.242 -2.930 1.00 0.00 C ATOM 291 CG LEU A 20 -1.976 -14.388 -2.456 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.839 -15.346 -1.276 1.00 0.00 C ATOM 293 CD2 LEU A 20 -1.082 -14.812 -3.619 1.00 0.00 C ATOM 0 H LEU A 20 -4.409 -11.741 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.955 -12.802 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.104 -14.316 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.684 -15.069 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.649 -13.411 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.792 -15.413 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.429 -14.977 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.198 -16.333 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.054 -14.911 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.426 -15.769 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.127 -14.059 -4.406 1.00 0.00 H new ATOM 305 N ASP A 21 -6.108 -12.628 -3.525 1.00 0.00 N ATOM 306 CA ASP A 21 -7.484 -12.588 -4.001 1.00 0.00 C ATOM 307 C ASP A 21 -7.648 -11.487 -5.038 1.00 0.00 C ATOM 308 O ASP A 21 -6.963 -10.461 -4.996 1.00 0.00 O ATOM 309 CB ASP A 21 -8.449 -12.357 -2.835 1.00 0.00 C ATOM 310 CG ASP A 21 -8.301 -13.481 -1.821 1.00 0.00 C ATOM 311 OD1 ASP A 21 -7.398 -13.367 -0.958 1.00 0.00 O ATOM 312 OD2 ASP A 21 -9.001 -14.506 -1.976 1.00 0.00 O ATOM 0 H ASP A 21 -6.019 -12.453 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.718 -13.548 -4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.241 -11.397 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.475 -12.316 -3.201 1.00 0.00 H new ATOM 317 N ASP A 22 -8.590 -11.682 -5.957 1.00 0.00 N ATOM 318 CA ASP A 22 -8.928 -10.703 -6.992 1.00 0.00 C ATOM 319 C ASP A 22 -10.123 -9.851 -6.560 1.00 0.00 C ATOM 320 O ASP A 22 -10.518 -8.934 -7.275 1.00 0.00 O ATOM 321 CB ASP A 22 -9.242 -11.454 -8.291 1.00 0.00 C ATOM 322 CG ASP A 22 -9.237 -10.556 -9.528 1.00 0.00 C ATOM 323 OD1 ASP A 22 -8.128 -10.276 -10.044 1.00 0.00 O ATOM 324 OD2 ASP A 22 -10.317 -10.224 -10.070 1.00 0.00 O ATOM 0 H ASP A 22 -9.148 -12.534 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.085 -10.031 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.511 -12.251 -8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.219 -11.929 -8.200 1.00 0.00 H new ATOM 329 N GLU A 23 -10.737 -10.174 -5.417 1.00 0.00 N ATOM 330 CA GLU A 23 -12.033 -9.649 -5.000 1.00 0.00 C ATOM 331 C GLU A 23 -11.947 -8.758 -3.766 1.00 0.00 C ATOM 332 O GLU A 23 -12.584 -7.707 -3.750 1.00 0.00 O ATOM 333 CB GLU A 23 -13.075 -10.763 -4.869 1.00 0.00 C ATOM 334 CG GLU A 23 -12.638 -11.834 -3.874 1.00 0.00 C ATOM 335 CD GLU A 23 -13.727 -12.874 -3.661 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.014 -13.635 -4.615 1.00 0.00 O ATOM 337 OE2 GLU A 23 -14.302 -12.904 -2.545 1.00 0.00 O ATOM 0 H GLU A 23 -10.333 -10.824 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.378 -8.991 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.025 -10.336 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.243 -11.220 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.733 -12.322 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.388 -11.367 -2.921 1.00 0.00 H new ATOM 344 N GLU A 24 -11.178 -9.149 -2.749 1.00 0.00 N ATOM 345 CA GLU A 24 -10.981 -8.394 -1.520 1.00 0.00 C ATOM 346 C GLU A 24 -9.939 -7.295 -1.759 1.00 0.00 C ATOM 347 O GLU A 24 -10.114 -6.164 -1.315 1.00 0.00 O ATOM 348 CB GLU A 24 -10.562 -9.392 -0.424 1.00 0.00 C ATOM 349 CG GLU A 24 -11.060 -8.949 0.950 1.00 0.00 C ATOM 350 CD GLU A 24 -10.997 -10.096 1.966 1.00 0.00 C ATOM 351 OE1 GLU A 24 -9.869 -10.460 2.380 1.00 0.00 O ATOM 352 OE2 GLU A 24 -12.060 -10.644 2.339 1.00 0.00 O ATOM 0 H GLU A 24 -10.661 -10.028 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.893 -7.892 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.961 -10.379 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.476 -9.483 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.457 -8.113 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.086 -8.590 0.868 1.00 0.00 H new ATOM 359 N TYR A 25 -8.910 -7.598 -2.562 1.00 0.00 N ATOM 360 CA TYR A 25 -7.924 -6.632 -3.031 1.00 0.00 C ATOM 361 C TYR A 25 -8.614 -5.435 -3.702 1.00 0.00 C ATOM 362 O TYR A 25 -8.142 -4.304 -3.594 1.00 0.00 O ATOM 363 CB TYR A 25 -6.956 -7.354 -3.991 1.00 0.00 C ATOM 364 CG TYR A 25 -5.935 -6.461 -4.681 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.346 -5.693 -5.788 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.596 -6.397 -4.239 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.467 -4.790 -6.398 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.697 -5.506 -4.867 1.00 0.00 C ATOM 369 CZ TYR A 25 -4.144 -4.672 -5.923 1.00 0.00 C ATOM 370 OH TYR A 25 -3.326 -3.738 -6.488 1.00 0.00 O ATOM 0 H TYR A 25 -8.742 -8.543 -2.907 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.357 -6.232 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.422 -8.123 -3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.542 -7.865 -4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.350 -5.802 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.261 -7.025 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.801 -4.186 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.668 -5.460 -4.542 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.862 -2.980 -6.801 1.00 0.00 H new ATOM 380 N GLU A 26 -9.722 -5.664 -4.413 1.00 0.00 N ATOM 381 CA GLU A 26 -10.406 -4.634 -5.165 1.00 0.00 C ATOM 382 C GLU A 26 -11.121 -3.648 -4.246 1.00 0.00 C ATOM 383 O GLU A 26 -11.119 -2.447 -4.533 1.00 0.00 O ATOM 384 CB GLU A 26 -11.376 -5.312 -6.150 1.00 0.00 C ATOM 385 CG GLU A 26 -10.782 -5.232 -7.560 1.00 0.00 C ATOM 386 CD GLU A 26 -11.718 -5.569 -8.728 1.00 0.00 C ATOM 387 OE1 GLU A 26 -12.595 -6.465 -8.658 1.00 0.00 O ATOM 388 OE2 GLU A 26 -11.493 -4.966 -9.803 1.00 0.00 O ATOM 0 H GLU A 26 -10.165 -6.581 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.679 -4.046 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.536 -6.352 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.348 -4.820 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.401 -4.222 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.926 -5.905 -7.606 1.00 0.00 H new ATOM 395 N GLU A 27 -11.690 -4.144 -3.150 1.00 0.00 N ATOM 396 CA GLU A 27 -12.322 -3.333 -2.114 1.00 0.00 C ATOM 397 C GLU A 27 -11.280 -2.421 -1.488 1.00 0.00 C ATOM 398 O GLU A 27 -11.516 -1.230 -1.342 1.00 0.00 O ATOM 399 CB GLU A 27 -12.934 -4.205 -1.009 1.00 0.00 C ATOM 400 CG GLU A 27 -13.856 -5.296 -1.552 1.00 0.00 C ATOM 401 CD GLU A 27 -14.471 -6.129 -0.434 1.00 0.00 C ATOM 402 OE1 GLU A 27 -13.801 -6.406 0.585 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.636 -6.575 -0.590 1.00 0.00 O ATOM 0 H GLU A 27 -11.725 -5.144 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.119 -2.754 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.133 -4.668 -0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.495 -3.571 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.650 -4.839 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.294 -5.946 -2.222 1.00 0.00 H new ATOM 410 N ILE A 28 -10.105 -2.964 -1.158 1.00 0.00 N ATOM 411 CA ILE A 28 -9.056 -2.246 -0.442 1.00 0.00 C ATOM 412 C ILE A 28 -8.543 -1.040 -1.257 1.00 0.00 C ATOM 413 O ILE A 28 -7.960 -0.104 -0.696 1.00 0.00 O ATOM 414 CB ILE A 28 -7.952 -3.259 -0.043 1.00 0.00 C ATOM 415 CG1 ILE A 28 -8.493 -4.324 0.944 1.00 0.00 C ATOM 416 CG2 ILE A 28 -6.763 -2.548 0.619 1.00 0.00 C ATOM 417 CD1 ILE A 28 -7.672 -5.616 0.986 1.00 0.00 C ATOM 0 H ILE A 28 -9.856 -3.927 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.448 -1.807 0.476 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.627 -3.746 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.523 -3.893 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.520 -4.568 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.004 -3.282 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.338 -1.825 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.102 -2.031 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.118 -6.307 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.662 -6.073 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.650 -5.388 1.290 1.00 0.00 H new ATOM 429 N VAL A 29 -8.754 -1.026 -2.573 1.00 0.00 N ATOM 430 CA VAL A 29 -8.415 0.110 -3.416 1.00 0.00 C ATOM 431 C VAL A 29 -9.551 1.146 -3.355 1.00 0.00 C ATOM 432 O VAL A 29 -9.275 2.341 -3.241 1.00 0.00 O ATOM 433 CB VAL A 29 -8.116 -0.402 -4.841 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.799 0.727 -5.829 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.902 -1.352 -4.846 1.00 0.00 C ATOM 0 H VAL A 29 -9.167 -1.808 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.517 0.618 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.025 -0.915 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.598 0.304 -6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.651 1.404 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.923 1.277 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.714 -1.697 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.024 -0.823 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.108 -2.209 -4.204 1.00 0.00 H new ATOM 445 N GLU A 30 -10.816 0.724 -3.447 1.00 0.00 N ATOM 446 CA GLU A 30 -11.970 1.630 -3.491 1.00 0.00 C ATOM 447 C GLU A 30 -12.278 2.246 -2.125 1.00 0.00 C ATOM 448 O GLU A 30 -12.632 3.425 -2.057 1.00 0.00 O ATOM 449 CB GLU A 30 -13.203 0.882 -4.026 1.00 0.00 C ATOM 450 CG GLU A 30 -13.141 0.663 -5.543 1.00 0.00 C ATOM 451 CD GLU A 30 -13.722 1.832 -6.343 1.00 0.00 C ATOM 452 OE1 GLU A 30 -12.975 2.785 -6.671 1.00 0.00 O ATOM 453 OE2 GLU A 30 -14.915 1.758 -6.727 1.00 0.00 O ATOM 0 H GLU A 30 -11.071 -0.263 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.717 2.450 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.285 -0.083 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.102 1.446 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.104 0.508 -5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.684 -0.248 -5.795 1.00 0.00 H new ATOM 460 N ASP A 31 -12.085 1.479 -1.053 1.00 0.00 N ATOM 461 CA ASP A 31 -12.213 1.891 0.340 1.00 0.00 C ATOM 462 C ASP A 31 -11.376 3.136 0.587 1.00 0.00 C ATOM 463 O ASP A 31 -11.821 4.159 1.112 1.00 0.00 O ATOM 464 CB ASP A 31 -11.697 0.773 1.263 1.00 0.00 C ATOM 465 CG ASP A 31 -11.697 1.243 2.716 1.00 0.00 C ATOM 466 OD1 ASP A 31 -12.706 1.819 3.178 1.00 0.00 O ATOM 467 OD2 ASP A 31 -10.673 1.052 3.414 1.00 0.00 O ATOM 0 H ASP A 31 -11.820 0.498 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.263 2.096 0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.325 -0.112 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.688 0.484 0.967 1.00 0.00 H new ATOM 472 N VAL A 32 -10.117 3.033 0.177 1.00 0.00 N ATOM 473 CA VAL A 32 -9.136 4.068 0.409 1.00 0.00 C ATOM 474 C VAL A 32 -9.391 5.223 -0.547 1.00 0.00 C ATOM 475 O VAL A 32 -9.109 6.374 -0.205 1.00 0.00 O ATOM 476 CB VAL A 32 -7.740 3.441 0.279 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.626 4.498 0.294 1.00 0.00 C ATOM 478 CG2 VAL A 32 -7.559 2.451 1.439 1.00 0.00 C ATOM 0 H VAL A 32 -9.754 2.224 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.208 4.487 1.413 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.666 2.930 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.657 4.007 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.767 5.187 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.662 5.052 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.574 1.989 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.648 2.981 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.326 1.679 1.382 1.00 0.00 H new ATOM 488 N ARG A 33 -9.948 4.954 -1.728 1.00 0.00 N ATOM 489 CA ARG A 33 -10.276 6.024 -2.646 1.00 0.00 C ATOM 490 C ARG A 33 -11.370 6.913 -2.065 1.00 0.00 C ATOM 491 O ARG A 33 -11.302 8.129 -2.262 1.00 0.00 O ATOM 492 CB ARG A 33 -10.599 5.441 -4.034 1.00 0.00 C ATOM 493 CG ARG A 33 -10.513 6.487 -5.152 1.00 0.00 C ATOM 494 CD ARG A 33 -10.467 5.816 -6.534 1.00 0.00 C ATOM 495 NE ARG A 33 -10.026 6.757 -7.580 1.00 0.00 N ATOM 496 CZ ARG A 33 -9.289 6.449 -8.660 1.00 0.00 C ATOM 497 NH1 ARG A 33 -9.080 5.191 -9.029 1.00 0.00 N ATOM 498 NH2 ARG A 33 -8.747 7.423 -9.379 1.00 0.00 N ATOM 0 H ARG A 33 -10.175 4.017 -2.060 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.417 6.680 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.908 4.626 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.601 5.013 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.373 7.155 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.623 7.101 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.790 4.963 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.455 5.430 -6.785 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.306 7.732 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.484 4.427 -8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.516 4.989 -9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.891 8.396 -9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.186 7.199 -10.201 1.00 0.00 H new ATOM 512 N ASP A 34 -12.337 6.347 -1.341 1.00 0.00 N ATOM 513 CA ASP A 34 -13.394 7.118 -0.695 1.00 0.00 C ATOM 514 C ASP A 34 -12.912 7.800 0.590 1.00 0.00 C ATOM 515 O ASP A 34 -13.290 8.945 0.853 1.00 0.00 O ATOM 516 CB ASP A 34 -14.609 6.232 -0.399 1.00 0.00 C ATOM 517 CG ASP A 34 -15.680 7.030 0.345 1.00 0.00 C ATOM 518 OD1 ASP A 34 -16.095 8.113 -0.132 1.00 0.00 O ATOM 519 OD2 ASP A 34 -16.076 6.632 1.465 1.00 0.00 O ATOM 0 H ASP A 34 -12.407 5.341 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.686 7.902 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.018 5.842 -1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.304 5.374 0.200 1.00 0.00 H new ATOM 524 N GLU A 35 -12.103 7.135 1.420 1.00 0.00 N ATOM 525 CA GLU A 35 -11.576 7.751 2.645 1.00 0.00 C ATOM 526 C GLU A 35 -10.674 8.926 2.288 1.00 0.00 C ATOM 527 O GLU A 35 -10.860 10.042 2.776 1.00 0.00 O ATOM 528 CB GLU A 35 -10.969 6.719 3.596 1.00 0.00 C ATOM 529 CG GLU A 35 -9.477 6.463 3.494 1.00 0.00 C ATOM 530 CD GLU A 35 -8.683 7.540 4.227 1.00 0.00 C ATOM 531 OE1 GLU A 35 -8.936 7.734 5.440 1.00 0.00 O ATOM 532 OE2 GLU A 35 -7.805 8.152 3.592 1.00 0.00 O ATOM 0 H GLU A 35 -11.799 6.173 1.268 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.397 8.172 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.187 7.033 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.484 5.772 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.243 5.485 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.180 6.438 2.446 1.00 0.00 H new ATOM 539 N CYS A 36 -9.729 8.697 1.379 1.00 0.00 N ATOM 540 CA CYS A 36 -8.649 9.631 1.157 1.00 0.00 C ATOM 541 C CYS A 36 -9.191 10.862 0.423 1.00 0.00 C ATOM 542 O CYS A 36 -8.689 11.970 0.642 1.00 0.00 O ATOM 543 CB CYS A 36 -7.502 8.870 0.470 1.00 0.00 C ATOM 544 SG CYS A 36 -5.958 9.806 0.530 1.00 0.00 S ATOM 0 H CYS A 36 -9.697 7.867 0.787 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.225 10.033 2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.362 7.904 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.767 8.670 -0.568 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.087 10.901 -0.159 1.00 0.00 H new ATOM 550 N SER A 37 -10.287 10.728 -0.339 1.00 0.00 N ATOM 551 CA SER A 37 -11.040 11.845 -0.906 1.00 0.00 C ATOM 552 C SER A 37 -11.431 12.899 0.143 1.00 0.00 C ATOM 553 O SER A 37 -11.710 14.045 -0.219 1.00 0.00 O ATOM 554 CB SER A 37 -12.314 11.326 -1.592 1.00 0.00 C ATOM 555 OG SER A 37 -12.169 11.328 -2.996 1.00 0.00 O ATOM 0 H SER A 37 -10.679 9.818 -0.581 1.00 0.00 H new ATOM 0 HA SER A 37 -10.382 12.327 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.531 10.315 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.163 11.949 -1.310 1.00 0.00 H new ATOM 0 HG SER A 37 -12.991 10.992 -3.410 1.00 0.00 H new ATOM 561 N LYS A 38 -11.504 12.555 1.435 1.00 0.00 N ATOM 562 CA LYS A 38 -11.841 13.502 2.500 1.00 0.00 C ATOM 563 C LYS A 38 -10.677 14.426 2.855 1.00 0.00 C ATOM 564 O LYS A 38 -10.908 15.421 3.542 1.00 0.00 O ATOM 565 CB LYS A 38 -12.318 12.735 3.743 1.00 0.00 C ATOM 566 CG LYS A 38 -13.614 11.955 3.470 1.00 0.00 C ATOM 567 CD LYS A 38 -14.016 11.130 4.702 1.00 0.00 C ATOM 568 CE LYS A 38 -15.461 10.601 4.718 1.00 0.00 C ATOM 569 NZ LYS A 38 -16.496 11.580 4.337 1.00 0.00 N ATOM 0 H LYS A 38 -11.330 11.607 1.770 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.644 14.140 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.539 12.044 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.481 13.436 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.415 12.648 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.475 11.296 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.338 10.280 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.865 11.743 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.525 9.748 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.684 10.232 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.438 11.174 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.383 12.444 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.398 11.814 3.328 1.00 0.00 H new ATOM 583 N TYR A 39 -9.454 14.145 2.407 1.00 0.00 N ATOM 584 CA TYR A 39 -8.243 14.876 2.797 1.00 0.00 C ATOM 585 C TYR A 39 -7.574 15.581 1.626 1.00 0.00 C ATOM 586 O TYR A 39 -6.758 16.476 1.846 1.00 0.00 O ATOM 587 CB TYR A 39 -7.247 13.920 3.465 1.00 0.00 C ATOM 588 CG TYR A 39 -7.780 13.353 4.760 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.639 12.241 4.725 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.490 13.989 5.983 1.00 0.00 C ATOM 591 CE1 TYR A 39 -9.256 11.787 5.898 1.00 0.00 C ATOM 592 CE2 TYR A 39 -8.061 13.497 7.172 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.965 12.406 7.133 1.00 0.00 C ATOM 594 OH TYR A 39 -9.541 11.931 8.273 1.00 0.00 O ATOM 0 H TYR A 39 -9.271 13.388 1.749 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.553 15.649 3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.015 13.103 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.313 14.448 3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.824 11.734 3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.835 14.847 6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.954 10.964 5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.809 13.953 8.118 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.239 12.463 9.038 1.00 0.00 H new ATOM 604 N GLY A 40 -7.912 15.213 0.397 1.00 0.00 N ATOM 605 CA GLY A 40 -7.302 15.713 -0.816 1.00 0.00 C ATOM 606 C GLY A 40 -8.014 15.059 -1.967 1.00 0.00 C ATOM 607 O GLY A 40 -9.241 14.898 -1.927 1.00 0.00 O ATOM 0 H GLY A 40 -8.648 14.531 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.391 16.798 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.238 15.479 -0.837 1.00 0.00 H new ATOM 611 N LEU A 41 -7.237 14.662 -2.965 1.00 0.00 N ATOM 612 CA LEU A 41 -7.695 13.798 -4.022 1.00 0.00 C ATOM 613 C LEU A 41 -6.562 12.825 -4.324 1.00 0.00 C ATOM 614 O LEU A 41 -5.436 13.225 -4.624 1.00 0.00 O ATOM 615 CB LEU A 41 -8.097 14.684 -5.197 1.00 0.00 C ATOM 616 CG LEU A 41 -8.537 13.953 -6.477 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.409 13.222 -7.210 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.682 12.982 -6.171 1.00 0.00 C ATOM 0 H LEU A 41 -6.260 14.939 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.571 13.203 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.912 15.332 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.254 15.330 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.876 14.735 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.809 12.735 -8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.641 13.938 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.973 12.471 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.982 12.473 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.349 12.246 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.531 13.535 -5.769 1.00 0.00 H new ATOM 630 N VAL A 42 -6.868 11.538 -4.217 1.00 0.00 N ATOM 631 CA VAL A 42 -5.926 10.451 -4.383 1.00 0.00 C ATOM 632 C VAL A 42 -5.881 10.116 -5.868 1.00 0.00 C ATOM 633 O VAL A 42 -6.882 9.731 -6.486 1.00 0.00 O ATOM 634 CB VAL A 42 -6.264 9.285 -3.434 1.00 0.00 C ATOM 635 CG1 VAL A 42 -7.750 8.920 -3.383 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.454 8.025 -3.749 1.00 0.00 C ATOM 0 H VAL A 42 -7.813 11.217 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.913 10.723 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.987 9.665 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.897 8.091 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.325 9.782 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.087 8.627 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.729 7.232 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.665 7.702 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.390 8.242 -3.650 1.00 0.00 H new ATOM 646 N LYS A 43 -4.706 10.324 -6.449 1.00 0.00 N ATOM 647 CA LYS A 43 -4.363 9.976 -7.814 1.00 0.00 C ATOM 648 C LYS A 43 -4.565 8.472 -7.978 1.00 0.00 C ATOM 649 O LYS A 43 -5.516 8.068 -8.652 1.00 0.00 O ATOM 650 CB LYS A 43 -2.923 10.452 -8.064 1.00 0.00 C ATOM 651 CG LYS A 43 -2.418 10.249 -9.492 1.00 0.00 C ATOM 652 CD LYS A 43 -3.113 11.158 -10.512 1.00 0.00 C ATOM 653 CE LYS A 43 -3.842 10.265 -11.527 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.445 11.028 -12.633 1.00 0.00 N ATOM 0 H LYS A 43 -3.930 10.762 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.994 10.460 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.858 11.512 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.258 9.925 -7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.344 10.435 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.569 9.209 -9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.819 11.821 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.384 11.791 -11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.139 9.538 -11.935 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.621 9.702 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.923 10.374 -13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.137 11.704 -12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.701 11.545 -13.144 1.00 0.00 H new ATOM 668 N SER A 44 -3.757 7.670 -7.286 1.00 0.00 N ATOM 669 CA SER A 44 -3.724 6.219 -7.407 1.00 0.00 C ATOM 670 C SER A 44 -3.211 5.591 -6.109 1.00 0.00 C ATOM 671 O SER A 44 -2.724 6.306 -5.232 1.00 0.00 O ATOM 672 CB SER A 44 -2.810 5.867 -8.581 1.00 0.00 C ATOM 673 OG SER A 44 -3.369 6.340 -9.790 1.00 0.00 O ATOM 0 H SER A 44 -3.087 8.027 -6.605 1.00 0.00 H new ATOM 0 HA SER A 44 -4.725 5.828 -7.587 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.825 6.308 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.671 4.787 -8.633 1.00 0.00 H new ATOM 0 HG SER A 44 -2.776 6.112 -10.536 1.00 0.00 H new ATOM 679 N ILE A 45 -3.327 4.264 -5.985 1.00 0.00 N ATOM 680 CA ILE A 45 -2.844 3.454 -4.867 1.00 0.00 C ATOM 681 C ILE A 45 -2.052 2.303 -5.486 1.00 0.00 C ATOM 682 O ILE A 45 -2.451 1.749 -6.517 1.00 0.00 O ATOM 683 CB ILE A 45 -4.022 2.925 -4.011 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.868 4.056 -3.392 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.533 2.024 -2.863 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.332 3.639 -3.214 1.00 0.00 C ATOM 0 H ILE A 45 -3.785 3.699 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.220 4.043 -4.195 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.639 2.354 -4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.450 4.336 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.816 4.939 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.389 1.673 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.998 1.168 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.866 2.591 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.894 4.463 -2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.758 3.385 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.386 2.772 -2.556 1.00 0.00 H new ATOM 698 N GLU A 46 -0.952 1.922 -4.844 1.00 0.00 N ATOM 699 CA GLU A 46 0.007 0.949 -5.353 1.00 0.00 C ATOM 700 C GLU A 46 0.233 -0.167 -4.333 1.00 0.00 C ATOM 701 O GLU A 46 0.619 0.085 -3.191 1.00 0.00 O ATOM 702 CB GLU A 46 1.318 1.657 -5.738 1.00 0.00 C ATOM 703 CG GLU A 46 2.185 0.813 -6.683 1.00 0.00 C ATOM 704 CD GLU A 46 1.418 0.376 -7.937 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.698 1.209 -8.541 1.00 0.00 O ATOM 706 OE2 GLU A 46 1.444 -0.828 -8.283 1.00 0.00 O ATOM 0 H GLU A 46 -0.696 2.293 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.394 0.482 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.087 2.609 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.884 1.883 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.063 1.387 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.544 -0.069 -6.153 1.00 0.00 H new ATOM 713 N ILE A 47 -0.064 -1.408 -4.734 1.00 0.00 N ATOM 714 CA ILE A 47 -0.075 -2.590 -3.877 1.00 0.00 C ATOM 715 C ILE A 47 0.572 -3.720 -4.692 1.00 0.00 C ATOM 716 O ILE A 47 -0.118 -4.426 -5.428 1.00 0.00 O ATOM 717 CB ILE A 47 -1.508 -2.943 -3.396 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.294 -1.696 -2.945 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.435 -4.029 -2.296 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.702 -1.983 -2.429 1.00 0.00 C ATOM 0 H ILE A 47 -0.312 -1.620 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 47 0.487 -2.416 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.067 -3.349 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.730 -1.191 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.363 -1.003 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.442 -4.275 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.958 -4.923 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.853 -3.655 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.179 -1.048 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.288 -2.458 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.645 -2.648 -1.568 1.00 0.00 H new ATOM 732 N PRO A 48 1.905 -3.857 -4.689 1.00 0.00 N ATOM 733 CA PRO A 48 2.575 -4.978 -5.335 1.00 0.00 C ATOM 734 C PRO A 48 2.147 -6.267 -4.625 1.00 0.00 C ATOM 735 O PRO A 48 2.273 -6.371 -3.401 1.00 0.00 O ATOM 736 CB PRO A 48 4.075 -4.687 -5.222 1.00 0.00 C ATOM 737 CG PRO A 48 4.168 -3.795 -3.986 1.00 0.00 C ATOM 738 CD PRO A 48 2.859 -3.014 -3.995 1.00 0.00 C ATOM 0 HA PRO A 48 2.318 -5.105 -6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.654 -5.602 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.455 -4.184 -6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.275 -4.385 -3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.030 -3.130 -4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.525 -2.798 -2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.978 -2.057 -4.502 1.00 0.00 H new ATOM 746 N ARG A 49 1.587 -7.224 -5.367 1.00 0.00 N ATOM 747 CA ARG A 49 1.183 -8.534 -4.837 1.00 0.00 C ATOM 748 C ARG A 49 2.252 -9.581 -5.153 1.00 0.00 C ATOM 749 O ARG A 49 2.977 -9.405 -6.139 1.00 0.00 O ATOM 750 CB ARG A 49 -0.184 -9.002 -5.391 1.00 0.00 C ATOM 751 CG ARG A 49 -0.478 -8.622 -6.848 1.00 0.00 C ATOM 752 CD ARG A 49 -1.275 -7.310 -6.921 1.00 0.00 C ATOM 753 NE ARG A 49 -2.713 -7.578 -7.045 1.00 0.00 N ATOM 754 CZ ARG A 49 -3.346 -7.881 -8.181 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.757 -7.688 -9.362 1.00 0.00 N ATOM 756 NH2 ARG A 49 -4.565 -8.385 -8.105 1.00 0.00 N ATOM 0 H ARG A 49 1.398 -7.113 -6.363 1.00 0.00 H new ATOM 0 HA ARG A 49 1.077 -8.422 -3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.240 -10.087 -5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.971 -8.588 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.458 -8.515 -7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.040 -9.421 -7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.087 -6.715 -6.027 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.936 -6.720 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.274 -7.529 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.813 -7.305 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.251 -7.923 -10.223 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.000 -8.534 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.071 -8.625 -8.957 1.00 0.00 H new ATOM 770 N PRO A 50 2.362 -10.660 -4.355 1.00 0.00 N ATOM 771 CA PRO A 50 3.150 -11.834 -4.703 1.00 0.00 C ATOM 772 C PRO A 50 2.735 -12.388 -6.058 1.00 0.00 C ATOM 773 O PRO A 50 1.622 -12.205 -6.553 1.00 0.00 O ATOM 774 CB PRO A 50 2.918 -12.849 -3.581 1.00 0.00 C ATOM 775 CG PRO A 50 1.547 -12.452 -3.046 1.00 0.00 C ATOM 776 CD PRO A 50 1.618 -10.936 -3.135 1.00 0.00 C ATOM 0 HA PRO A 50 4.209 -11.592 -4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.926 -13.873 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.687 -12.784 -2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.736 -12.861 -3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.389 -12.797 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.621 -10.497 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.119 -10.513 -2.264 1.00 0.00 H new ATOM 866 N PRO A 57 9.556 -7.057 -4.519 1.00 0.00 N ATOM 867 CA PRO A 57 10.329 -6.183 -3.657 1.00 0.00 C ATOM 868 C PRO A 57 9.354 -5.272 -2.910 1.00 0.00 C ATOM 869 O PRO A 57 8.391 -4.774 -3.495 1.00 0.00 O ATOM 870 CB PRO A 57 11.259 -5.409 -4.597 1.00 0.00 C ATOM 871 CG PRO A 57 10.461 -5.330 -5.901 1.00 0.00 C ATOM 872 CD PRO A 57 9.688 -6.651 -5.913 1.00 0.00 C ATOM 0 HA PRO A 57 10.919 -6.705 -2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.490 -4.418 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.208 -5.926 -4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.791 -4.470 -5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.114 -5.237 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.709 -6.525 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.219 -7.408 -6.490 1.00 0.00 H new ATOM 880 N GLY A 58 9.599 -5.058 -1.618 1.00 0.00 N ATOM 881 CA GLY A 58 8.865 -4.090 -0.821 1.00 0.00 C ATOM 882 C GLY A 58 7.406 -4.502 -0.677 1.00 0.00 C ATOM 883 O GLY A 58 6.514 -3.653 -0.681 1.00 0.00 O ATOM 0 H GLY A 58 10.319 -5.558 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.322 -4.003 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.925 -3.107 -1.288 1.00 0.00 H new ATOM 887 N CYS A 59 7.154 -5.803 -0.559 1.00 0.00 N ATOM 888 CA CYS A 59 5.821 -6.333 -0.359 1.00 0.00 C ATOM 889 C CYS A 59 5.358 -6.070 1.078 1.00 0.00 C ATOM 890 O CYS A 59 6.159 -5.749 1.958 1.00 0.00 O ATOM 891 CB CYS A 59 5.871 -7.822 -0.688 1.00 0.00 C ATOM 892 SG CYS A 59 4.202 -8.486 -0.981 1.00 0.00 S ATOM 0 H CYS A 59 7.879 -6.519 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 59 5.096 -5.845 -1.010 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.489 -7.982 -1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.342 -8.363 0.133 1.00 0.00 H new ATOM 0 HG CYS A 59 4.282 -9.753 -1.260 1.00 0.00 H new ATOM 898 N GLY A 60 4.059 -6.186 1.328 1.00 0.00 N ATOM 899 CA GLY A 60 3.423 -5.900 2.602 1.00 0.00 C ATOM 900 C GLY A 60 3.134 -4.408 2.764 1.00 0.00 C ATOM 901 O GLY A 60 2.066 -4.062 3.269 1.00 0.00 O ATOM 0 H GLY A 60 3.396 -6.495 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.492 -6.462 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.067 -6.237 3.414 1.00 0.00 H new ATOM 905 N LYS A 61 4.029 -3.509 2.325 1.00 0.00 N ATOM 906 CA LYS A 61 3.767 -2.063 2.306 1.00 0.00 C ATOM 907 C LYS A 61 2.668 -1.748 1.275 1.00 0.00 C ATOM 908 O LYS A 61 2.335 -2.592 0.436 1.00 0.00 O ATOM 909 CB LYS A 61 5.047 -1.245 1.997 1.00 0.00 C ATOM 910 CG LYS A 61 6.292 -1.552 2.850 1.00 0.00 C ATOM 911 CD LYS A 61 7.259 -2.446 2.057 1.00 0.00 C ATOM 912 CE LYS A 61 8.417 -2.987 2.887 1.00 0.00 C ATOM 913 NZ LYS A 61 9.533 -2.050 3.085 1.00 0.00 N ATOM 0 H LYS A 61 4.952 -3.764 1.974 1.00 0.00 H new ATOM 0 HA LYS A 61 3.430 -1.771 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.306 -1.402 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.810 -0.187 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.789 -0.624 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.997 -2.049 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.703 -3.284 1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.660 -1.877 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.036 -3.285 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.800 -3.887 2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.271 -2.505 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.929 -1.782 2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.189 -1.199 3.574 1.00 0.00 H new ATOM 927 N ILE A 62 2.145 -0.524 1.295 1.00 0.00 N ATOM 928 CA ILE A 62 1.323 0.096 0.256 1.00 0.00 C ATOM 929 C ILE A 62 1.937 1.487 0.031 1.00 0.00 C ATOM 930 O ILE A 62 2.517 2.079 0.951 1.00 0.00 O ATOM 931 CB ILE A 62 -0.164 0.127 0.703 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.700 -1.325 0.646 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.028 1.091 -0.132 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.219 -1.502 0.739 1.00 0.00 C ATOM 0 H ILE A 62 2.293 0.101 2.087 1.00 0.00 H new ATOM 0 HA ILE A 62 1.319 -0.457 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.223 0.516 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.361 -1.776 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.241 -1.889 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.056 1.066 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.636 2.104 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.005 0.787 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.466 -2.562 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.576 -1.092 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.698 -0.978 -0.088 1.00 0.00 H new ATOM 946 N PHE A 63 1.790 2.041 -1.167 1.00 0.00 N ATOM 947 CA PHE A 63 2.030 3.454 -1.441 1.00 0.00 C ATOM 948 C PHE A 63 0.724 4.041 -1.972 1.00 0.00 C ATOM 949 O PHE A 63 -0.131 3.315 -2.492 1.00 0.00 O ATOM 950 CB PHE A 63 3.203 3.599 -2.415 1.00 0.00 C ATOM 951 CG PHE A 63 4.364 2.686 -2.081 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.259 3.014 -1.047 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.461 1.436 -2.717 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.247 2.096 -0.650 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.431 0.515 -2.303 1.00 0.00 C ATOM 956 CZ PHE A 63 6.327 0.839 -1.271 1.00 0.00 C ATOM 0 H PHE A 63 1.496 1.513 -1.989 1.00 0.00 H new ATOM 0 HA PHE A 63 2.316 4.005 -0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.858 3.384 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.547 4.633 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.187 3.974 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.788 1.186 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.944 2.357 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.491 -0.452 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.074 0.125 -0.957 1.00 0.00 H new ATOM 966 N VAL A 64 0.556 5.352 -1.869 1.00 0.00 N ATOM 967 CA VAL A 64 -0.555 6.073 -2.476 1.00 0.00 C ATOM 968 C VAL A 64 0.027 7.369 -3.046 1.00 0.00 C ATOM 969 O VAL A 64 1.111 7.782 -2.627 1.00 0.00 O ATOM 970 CB VAL A 64 -1.695 6.193 -1.428 1.00 0.00 C ATOM 971 CG1 VAL A 64 -1.329 6.929 -0.138 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.962 6.859 -1.958 1.00 0.00 C ATOM 0 H VAL A 64 1.198 5.954 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.033 5.571 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.874 5.141 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.195 6.956 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.510 6.409 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.021 7.947 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.708 6.904 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.729 7.869 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.355 6.280 -2.794 1.00 0.00 H new ATOM 982 N GLU A 65 -0.661 8.033 -3.972 1.00 0.00 N ATOM 983 CA GLU A 65 -0.215 9.241 -4.669 1.00 0.00 C ATOM 984 C GLU A 65 -1.378 10.244 -4.642 1.00 0.00 C ATOM 985 O GLU A 65 -2.547 9.848 -4.715 1.00 0.00 O ATOM 986 CB GLU A 65 0.217 8.812 -6.087 1.00 0.00 C ATOM 987 CG GLU A 65 0.445 9.921 -7.132 1.00 0.00 C ATOM 988 CD GLU A 65 1.891 10.307 -7.444 1.00 0.00 C ATOM 989 OE1 GLU A 65 2.712 9.406 -7.714 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.153 11.526 -7.551 1.00 0.00 O ATOM 0 H GLU A 65 -1.588 7.731 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 65 0.639 9.733 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.141 8.240 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.541 8.134 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.029 9.609 -8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.077 10.816 -6.793 1.00 0.00 H new ATOM 997 N PHE A 66 -1.058 11.532 -4.532 1.00 0.00 N ATOM 998 CA PHE A 66 -2.004 12.653 -4.490 1.00 0.00 C ATOM 999 C PHE A 66 -1.914 13.491 -5.756 1.00 0.00 C ATOM 1000 O PHE A 66 -1.157 13.183 -6.674 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.749 13.536 -3.263 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.383 13.021 -2.002 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -3.708 13.339 -1.647 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -1.608 12.216 -1.171 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -4.236 12.834 -0.445 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -2.150 11.653 -0.009 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.471 11.957 0.345 1.00 0.00 C ATOM 0 H PHE A 66 -0.088 11.840 -4.466 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.008 12.234 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.674 13.624 -3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.125 14.539 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.311 13.963 -2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.576 12.024 -1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.228 13.120 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.557 10.993 0.607 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.905 11.515 1.230 1.00 0.00 H new ATOM 1017 N THR A 67 -2.714 14.552 -5.831 1.00 0.00 N ATOM 1018 CA THR A 67 -2.607 15.519 -6.902 1.00 0.00 C ATOM 1019 C THR A 67 -1.569 16.617 -6.614 1.00 0.00 C ATOM 1020 O THR A 67 -1.094 17.224 -7.576 1.00 0.00 O ATOM 1021 CB THR A 67 -3.997 16.083 -7.219 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.881 16.202 -6.109 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.663 15.130 -8.217 1.00 0.00 C ATOM 0 H THR A 67 -3.447 14.758 -5.153 1.00 0.00 H new ATOM 0 HA THR A 67 -2.231 15.010 -7.789 1.00 0.00 H new ATOM 0 HB THR A 67 -3.831 17.093 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.367 16.418 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.657 15.501 -8.466 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.060 15.072 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.747 14.138 -7.773 1.00 0.00 H new ATOM 1031 N SER A 68 -1.190 16.882 -5.354 1.00 0.00 N ATOM 1032 CA SER A 68 -0.137 17.826 -4.987 1.00 0.00 C ATOM 1033 C SER A 68 0.708 17.269 -3.838 1.00 0.00 C ATOM 1034 O SER A 68 0.502 16.166 -3.340 1.00 0.00 O ATOM 1035 CB SER A 68 -0.810 19.169 -4.638 1.00 0.00 C ATOM 1036 OG SER A 68 0.107 20.251 -4.568 1.00 0.00 O ATOM 0 H SER A 68 -1.621 16.432 -4.547 1.00 0.00 H new ATOM 0 HA SER A 68 0.554 17.985 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.570 19.393 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.323 19.073 -3.681 1.00 0.00 H new ATOM 0 HG SER A 68 -0.375 21.075 -4.346 1.00 0.00 H new ATOM 1042 N VAL A 69 1.691 18.057 -3.406 1.00 0.00 N ATOM 1043 CA VAL A 69 2.283 17.914 -2.089 1.00 0.00 C ATOM 1044 C VAL A 69 1.305 18.482 -1.044 1.00 0.00 C ATOM 1045 O VAL A 69 1.233 17.993 0.081 1.00 0.00 O ATOM 1046 CB VAL A 69 3.632 18.661 -2.030 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.357 18.311 -0.738 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.618 18.301 -3.142 1.00 0.00 C ATOM 0 H VAL A 69 2.095 18.810 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 69 2.470 16.861 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 69 3.359 19.712 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.309 18.840 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.744 18.605 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.538 17.237 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.535 18.877 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.848 17.237 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.175 18.533 -4.110 1.00 0.00 H new ATOM 1058 N PHE A 70 0.564 19.548 -1.372 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.162 20.312 -0.358 1.00 0.00 C ATOM 1060 C PHE A 70 -1.435 19.624 0.127 1.00 0.00 C ATOM 1061 O PHE A 70 -1.853 19.863 1.260 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.491 21.714 -0.886 1.00 0.00 C ATOM 1063 CG PHE A 70 0.395 22.781 -0.287 1.00 0.00 C ATOM 1064 CD1 PHE A 70 0.033 23.383 0.933 1.00 0.00 C ATOM 1065 CD2 PHE A 70 1.591 23.154 -0.926 1.00 0.00 C ATOM 1066 CE1 PHE A 70 0.844 24.386 1.488 1.00 0.00 C ATOM 1067 CE2 PHE A 70 2.382 24.182 -0.387 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.009 24.799 0.820 1.00 0.00 C ATOM 0 H PHE A 70 0.454 19.896 -2.324 1.00 0.00 H new ATOM 0 HA PHE A 70 0.500 20.383 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.384 21.724 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.533 21.946 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.868 23.074 1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.901 22.651 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.572 24.840 2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.278 24.499 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.617 25.590 1.233 1.00 0.00 H new ATOM 1078 N ASP A 71 -2.071 18.815 -0.717 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.177 17.938 -0.343 1.00 0.00 C ATOM 1080 C ASP A 71 -2.623 16.719 0.400 1.00 0.00 C ATOM 1081 O ASP A 71 -3.141 16.350 1.459 1.00 0.00 O ATOM 1082 CB ASP A 71 -4.053 17.624 -1.577 1.00 0.00 C ATOM 1083 CG ASP A 71 -3.412 16.807 -2.679 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -2.176 16.885 -2.762 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -4.145 16.252 -3.534 1.00 0.00 O ATOM 0 H ASP A 71 -1.825 18.750 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.855 18.427 0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.943 17.095 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.388 18.569 -2.005 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.478 16.208 -0.050 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.758 15.107 0.573 1.00 0.00 C ATOM 1092 C CYS A 72 -0.423 15.440 2.035 1.00 0.00 C ATOM 1093 O CYS A 72 -0.660 14.641 2.945 1.00 0.00 O ATOM 1094 CB CYS A 72 0.493 14.792 -0.278 1.00 0.00 C ATOM 1095 SG CYS A 72 1.257 13.181 0.071 1.00 0.00 S ATOM 0 H CYS A 72 -1.014 16.563 -0.886 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.378 14.211 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.218 14.829 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.234 15.574 -0.115 1.00 0.00 H new ATOM 0 HG CYS A 72 0.348 12.252 0.032 1.00 0.00 H new ATOM 1101 N GLN A 73 0.114 16.634 2.296 1.00 0.00 N ATOM 1102 CA GLN A 73 0.507 17.116 3.619 1.00 0.00 C ATOM 1103 C GLN A 73 -0.642 17.103 4.631 1.00 0.00 C ATOM 1104 O GLN A 73 -0.398 17.009 5.838 1.00 0.00 O ATOM 1105 CB GLN A 73 1.071 18.540 3.475 1.00 0.00 C ATOM 1106 CG GLN A 73 2.588 18.515 3.263 1.00 0.00 C ATOM 1107 CD GLN A 73 3.178 19.899 3.043 1.00 0.00 C ATOM 1108 OE1 GLN A 73 2.755 20.884 3.643 1.00 0.00 O ATOM 1109 NE2 GLN A 73 4.187 20.010 2.200 1.00 0.00 N ATOM 0 H GLN A 73 0.293 17.318 1.561 1.00 0.00 H new ATOM 0 HA GLN A 73 1.263 16.435 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.592 19.041 2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.835 19.120 4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.063 18.057 4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.819 17.886 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.532 19.187 1.706 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.622 20.919 2.042 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.891 17.213 4.177 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.055 17.237 5.053 1.00 0.00 C ATOM 1120 C LYS A 74 -3.327 15.815 5.511 1.00 0.00 C ATOM 1121 O LYS A 74 -3.503 15.565 6.707 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.262 17.830 4.305 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.903 19.139 3.573 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.844 20.316 3.840 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.381 21.474 2.948 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.086 22.736 3.244 1.00 0.00 N ATOM 0 H LYS A 74 -2.121 17.288 3.186 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.873 17.866 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.635 17.102 3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.069 18.020 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.892 19.431 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.887 18.944 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.875 20.044 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.813 20.603 4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.309 21.622 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.541 21.209 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.736 23.485 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.107 22.607 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.913 23.007 4.233 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.339 14.887 4.554 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.585 13.484 4.800 1.00 0.00 C ATOM 1142 C ALA A 75 -2.537 12.881 5.732 1.00 0.00 C ATOM 1143 O ALA A 75 -2.934 12.101 6.590 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.606 12.741 3.470 1.00 0.00 C ATOM 0 H ALA A 75 -3.174 15.103 3.571 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.551 13.383 5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.791 11.682 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.397 13.147 2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.645 12.862 2.970 1.00 0.00 H new ATOM 1150 N MET A 76 -1.248 13.246 5.611 1.00 0.00 N ATOM 1151 CA MET A 76 -0.157 12.699 6.417 1.00 0.00 C ATOM 1152 C MET A 76 -0.543 12.665 7.894 1.00 0.00 C ATOM 1153 O MET A 76 -0.670 11.579 8.457 1.00 0.00 O ATOM 1154 CB MET A 76 1.139 13.509 6.215 1.00 0.00 C ATOM 1155 CG MET A 76 2.404 12.670 6.071 1.00 0.00 C ATOM 1156 SD MET A 76 3.689 13.072 7.282 1.00 0.00 S ATOM 1157 CE MET A 76 3.949 11.374 7.783 1.00 0.00 C ATOM 0 H MET A 76 -0.936 13.943 4.935 1.00 0.00 H new ATOM 0 HA MET A 76 0.027 11.677 6.085 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.028 14.129 5.325 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.263 14.185 7.061 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.143 11.616 6.168 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.808 12.807 5.068 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.931 11.278 8.246 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.180 11.084 8.499 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.895 10.724 6.909 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.766 13.844 8.494 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.123 13.977 9.905 1.00 0.00 C ATOM 1169 C GLN A 77 -2.616 13.746 10.143 1.00 0.00 C ATOM 1170 O GLN A 77 -3.023 13.444 11.268 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.757 15.375 10.424 1.00 0.00 C ATOM 1172 CG GLN A 77 0.746 15.673 10.381 1.00 0.00 C ATOM 1173 CD GLN A 77 1.091 16.756 11.399 1.00 0.00 C ATOM 1174 OE1 GLN A 77 1.253 16.451 12.578 1.00 0.00 O ATOM 1175 NE2 GLN A 77 1.177 18.013 10.991 1.00 0.00 N ATOM 0 H GLN A 77 -0.702 14.737 8.005 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.560 13.215 10.443 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.284 16.123 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.109 15.476 11.451 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.311 14.766 10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.033 15.998 9.381 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.038 18.240 10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.382 18.754 11.661 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.442 13.892 9.104 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.849 13.547 9.155 1.00 0.00 C ATOM 1186 C GLY A 78 -5.004 12.086 9.571 1.00 0.00 C ATOM 1187 O GLY A 78 -5.817 11.774 10.446 1.00 0.00 O ATOM 0 H GLY A 78 -3.142 14.257 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.367 14.194 9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.309 13.709 8.180 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.195 11.205 8.979 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.458 9.777 8.924 1.00 0.00 C ATOM 1193 C LEU A 79 -3.430 8.938 9.697 1.00 0.00 C ATOM 1194 O LEU A 79 -3.606 7.726 9.822 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.603 9.354 7.450 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.824 9.973 6.727 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.795 9.641 5.240 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.148 9.424 7.257 1.00 0.00 C ATOM 0 H LEU A 79 -3.326 11.475 8.518 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.397 9.576 9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.697 9.634 6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.679 8.268 7.402 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.760 11.046 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.662 10.086 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.883 10.040 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.819 8.559 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.975 9.888 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.179 8.344 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.235 9.648 8.320 1.00 0.00 H new ATOM 1210 N THR A 80 -2.409 9.552 10.303 1.00 0.00 N ATOM 1211 CA THR A 80 -1.576 8.917 11.321 1.00 0.00 C ATOM 1212 C THR A 80 -2.474 8.226 12.362 1.00 0.00 C ATOM 1213 O THR A 80 -3.208 8.913 13.076 1.00 0.00 O ATOM 1214 CB THR A 80 -0.708 10.004 11.984 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.107 10.655 11.039 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.187 9.471 13.104 1.00 0.00 C ATOM 0 H THR A 80 -2.137 10.513 10.096 1.00 0.00 H new ATOM 0 HA THR A 80 -0.930 8.162 10.873 1.00 0.00 H new ATOM 0 HB THR A 80 -1.420 10.704 12.421 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.379 10.017 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.770 10.290 13.525 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.432 9.027 13.884 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.862 8.715 12.702 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.408 6.895 12.483 1.00 0.00 N ATOM 1225 CA GLY A 81 -3.109 6.147 13.526 1.00 0.00 C ATOM 1226 C GLY A 81 -4.485 5.619 13.110 1.00 0.00 C ATOM 1227 O GLY A 81 -5.206 5.069 13.948 1.00 0.00 O ATOM 0 H GLY A 81 -1.862 6.305 11.854 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.488 5.305 13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.228 6.789 14.399 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.877 5.770 11.842 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.090 5.181 11.273 1.00 0.00 C ATOM 1233 C ARG A 82 -5.971 3.664 11.156 1.00 0.00 C ATOM 1234 O ARG A 82 -4.937 3.088 11.496 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.285 5.783 9.880 1.00 0.00 C ATOM 1236 CG ARG A 82 -6.674 7.255 9.927 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.181 7.480 10.072 1.00 0.00 C ATOM 1238 NE ARG A 82 -8.452 8.490 11.102 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.513 8.524 11.904 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.552 7.734 11.676 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -9.489 9.309 12.969 1.00 0.00 N ATOM 0 H ARG A 82 -4.345 6.319 11.167 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.938 5.396 11.924 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.364 5.673 9.308 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.057 5.224 9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.161 7.733 10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.327 7.744 9.017 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.600 7.802 9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.671 6.543 10.335 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.764 9.234 11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.542 7.094 10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.362 7.765 12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.665 9.877 13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.295 9.346 13.593 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.002 3.020 10.608 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.971 1.661 10.099 1.00 0.00 C ATOM 1257 C LYS A 83 -7.496 1.707 8.672 1.00 0.00 C ATOM 1258 O LYS A 83 -8.533 2.323 8.445 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.830 0.720 10.960 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.543 0.797 12.468 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.464 1.778 13.197 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.189 1.763 14.701 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.135 2.639 15.415 1.00 0.00 N ATOM 0 H LYS A 83 -7.918 3.456 10.505 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.954 1.271 10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.882 0.952 10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.671 -0.305 10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.656 -0.195 12.906 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.506 1.097 12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.315 2.784 12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.505 1.514 13.010 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.272 0.745 15.080 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.167 2.092 14.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.930 2.614 16.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.036 3.614 15.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.107 2.309 15.249 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.817 1.058 7.723 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.290 0.888 6.334 1.00 0.00 C ATOM 1279 C PHE A 84 -7.712 -0.565 6.072 1.00 0.00 C ATOM 1280 O PHE A 84 -7.823 -1.002 4.928 1.00 0.00 O ATOM 1281 CB PHE A 84 -6.217 1.368 5.334 1.00 0.00 C ATOM 1282 CG PHE A 84 -6.156 2.856 5.005 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.778 3.837 5.807 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.508 3.257 3.819 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.749 5.188 5.434 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.507 4.607 3.427 1.00 0.00 C ATOM 1287 CZ PHE A 84 -6.109 5.568 4.246 1.00 0.00 C ATOM 0 H PHE A 84 -5.909 0.627 7.894 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.174 1.509 6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.243 1.072 5.723 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.365 0.826 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.281 3.544 6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.008 2.521 3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.218 5.933 6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.043 4.901 2.497 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.081 6.609 3.961 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.891 -1.335 7.138 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.538 -2.633 7.150 1.00 0.00 C ATOM 1299 C ALA A 85 -8.916 -2.874 8.598 1.00 0.00 C ATOM 1300 O ALA A 85 -10.074 -2.692 8.976 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.636 -3.730 6.578 1.00 0.00 C ATOM 0 H ALA A 85 -7.570 -1.052 8.064 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.418 -2.655 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.161 -4.685 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.378 -3.488 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.725 -3.799 7.173 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.927 -3.170 9.449 1.00 0.00 N ATOM 1308 CA ASN A 86 -8.193 -3.264 10.882 1.00 0.00 C ATOM 1309 C ASN A 86 -7.009 -2.914 11.779 1.00 0.00 C ATOM 1310 O ASN A 86 -7.194 -2.720 12.981 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.700 -4.672 11.218 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.627 -4.602 12.416 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -10.681 -3.982 12.340 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -9.282 -5.203 13.538 1.00 0.00 N ATOM 0 H ASN A 86 -6.960 -3.344 9.176 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.951 -2.510 11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -9.226 -5.095 10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.859 -5.331 11.433 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.895 -5.154 14.352 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.403 -5.717 13.592 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.791 -2.820 11.241 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.602 -2.549 12.058 1.00 0.00 C ATOM 1323 C ARG A 87 -4.250 -1.074 11.990 1.00 0.00 C ATOM 1324 O ARG A 87 -4.701 -0.362 11.097 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.405 -3.384 11.599 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.687 -4.888 11.575 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.509 -5.648 10.964 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.327 -5.603 11.843 1.00 0.00 N ATOM 1329 CZ ARG A 87 -1.005 -6.479 12.799 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -1.676 -7.615 12.945 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -0.009 -6.197 13.622 1.00 0.00 N ATOM 0 H ARG A 87 -5.600 -2.927 10.245 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.835 -2.824 13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.108 -3.062 10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.561 -3.191 12.261 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.871 -5.245 12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.591 -5.085 10.999 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.795 -6.685 10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.260 -5.218 9.994 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.687 -4.820 11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.453 -7.832 12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.414 -8.271 13.681 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.502 -5.320 13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.248 -6.856 14.357 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.412 -0.633 12.921 1.00 0.00 N ATOM 1346 CA VAL A 88 -3.004 0.762 13.033 1.00 0.00 C ATOM 1347 C VAL A 88 -2.055 1.100 11.893 1.00 0.00 C ATOM 1348 O VAL A 88 -1.094 0.360 11.651 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.295 1.029 14.375 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -2.083 2.534 14.584 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -3.119 0.502 15.561 1.00 0.00 C ATOM 0 H VAL A 88 -2.993 -1.240 13.626 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.897 1.385 12.983 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.337 0.510 14.334 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.581 2.702 15.537 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.469 2.931 13.776 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.048 3.040 14.588 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.590 0.707 16.492 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.089 0.998 15.579 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.263 -0.573 15.455 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.257 2.255 11.273 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.513 2.727 10.123 1.00 0.00 C ATOM 1363 C VAL A 89 -0.488 3.788 10.529 1.00 0.00 C ATOM 1364 O VAL A 89 -0.748 4.702 11.323 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.521 3.245 9.083 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.812 3.871 7.885 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.410 2.086 8.604 1.00 0.00 C ATOM 0 H VAL A 89 -2.976 2.913 11.574 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.937 1.914 9.681 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.132 4.013 9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.553 4.227 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.200 4.708 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.176 3.125 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.123 2.455 7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.788 1.313 8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.950 1.666 9.453 1.00 0.00 H new ATOM 1377 N VAL A 90 0.682 3.682 9.907 1.00 0.00 N ATOM 1378 CA VAL A 90 1.747 4.662 9.949 1.00 0.00 C ATOM 1379 C VAL A 90 1.821 5.264 8.555 1.00 0.00 C ATOM 1380 O VAL A 90 2.025 4.550 7.574 1.00 0.00 O ATOM 1381 CB VAL A 90 3.025 4.071 10.596 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.501 2.736 10.009 1.00 0.00 C ATOM 1383 CG2 VAL A 90 4.206 5.051 10.602 1.00 0.00 C ATOM 0 H VAL A 90 0.918 2.871 9.335 1.00 0.00 H new ATOM 0 HA VAL A 90 1.572 5.503 10.620 1.00 0.00 H new ATOM 0 HB VAL A 90 2.698 3.879 11.618 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.401 2.409 10.531 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.719 1.986 10.129 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.722 2.863 8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.070 4.577 11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.454 5.329 9.577 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.935 5.944 11.165 1.00 0.00 H new ATOM 1393 N THR A 91 1.527 6.558 8.454 1.00 0.00 N ATOM 1394 CA THR A 91 1.850 7.355 7.292 1.00 0.00 C ATOM 1395 C THR A 91 3.337 7.704 7.367 1.00 0.00 C ATOM 1396 O THR A 91 3.869 7.972 8.450 1.00 0.00 O ATOM 1397 CB THR A 91 0.992 8.638 7.283 1.00 0.00 C ATOM 1398 OG1 THR A 91 0.799 9.186 8.580 1.00 0.00 O ATOM 1399 CG2 THR A 91 -0.387 8.382 6.695 1.00 0.00 C ATOM 0 H THR A 91 1.052 7.081 9.190 1.00 0.00 H new ATOM 0 HA THR A 91 1.641 6.805 6.375 1.00 0.00 H new ATOM 0 HB THR A 91 1.552 9.345 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.386 10.072 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.964 9.307 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.285 8.028 5.669 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.902 7.627 7.290 1.00 0.00 H new ATOM 1407 N LYS A 92 4.000 7.740 6.216 1.00 0.00 N ATOM 1408 CA LYS A 92 5.296 8.369 5.976 1.00 0.00 C ATOM 1409 C LYS A 92 5.222 8.969 4.574 1.00 0.00 C ATOM 1410 O LYS A 92 4.329 8.609 3.815 1.00 0.00 O ATOM 1411 CB LYS A 92 6.414 7.330 5.992 1.00 0.00 C ATOM 1412 CG LYS A 92 6.648 6.607 7.321 1.00 0.00 C ATOM 1413 CD LYS A 92 7.681 5.520 7.028 1.00 0.00 C ATOM 1414 CE LYS A 92 8.043 4.642 8.219 1.00 0.00 C ATOM 1415 NZ LYS A 92 9.109 3.702 7.827 1.00 0.00 N ATOM 0 H LYS A 92 3.625 7.304 5.374 1.00 0.00 H new ATOM 0 HA LYS A 92 5.506 9.112 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.197 6.582 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.342 7.822 5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.012 7.297 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.722 6.174 7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.301 4.884 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.589 5.993 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.376 5.260 9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.166 4.093 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.358 3.101 8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.775 3.105 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.948 4.236 7.521 1.00 0.00 H new ATOM 1429 N TYR A 93 6.169 9.813 4.187 1.00 0.00 N ATOM 1430 CA TYR A 93 6.370 10.135 2.774 1.00 0.00 C ATOM 1431 C TYR A 93 6.987 8.928 2.051 1.00 0.00 C ATOM 1432 O TYR A 93 7.504 8.016 2.707 1.00 0.00 O ATOM 1433 CB TYR A 93 7.250 11.388 2.694 1.00 0.00 C ATOM 1434 CG TYR A 93 6.440 12.639 2.953 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.582 13.127 1.950 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.444 13.230 4.231 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.702 14.183 2.229 1.00 0.00 C ATOM 1438 CE2 TYR A 93 5.547 14.270 4.524 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.658 14.731 3.530 1.00 0.00 C ATOM 1440 OH TYR A 93 3.717 15.661 3.836 1.00 0.00 O ATOM 0 H TYR A 93 6.809 10.287 4.825 1.00 0.00 H new ATOM 0 HA TYR A 93 5.425 10.348 2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.057 11.316 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.714 11.448 1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.601 12.688 0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.136 12.884 4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.061 14.575 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.538 14.716 5.508 1.00 0.00 H new ATOM 0 HH TYR A 93 3.821 15.936 4.771 1.00 0.00 H new ATOM 1450 N CYS A 94 6.948 8.919 0.717 1.00 0.00 N ATOM 1451 CA CYS A 94 7.726 8.009 -0.130 1.00 0.00 C ATOM 1452 C CYS A 94 8.422 8.832 -1.217 1.00 0.00 C ATOM 1453 O CYS A 94 8.536 10.053 -1.073 1.00 0.00 O ATOM 1454 CB CYS A 94 6.841 6.879 -0.686 1.00 0.00 C ATOM 1455 SG CYS A 94 7.671 5.296 -0.372 1.00 0.00 S ATOM 0 H CYS A 94 6.361 9.559 0.182 1.00 0.00 H new ATOM 0 HA CYS A 94 8.497 7.507 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.861 6.895 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.677 7.016 -1.755 1.00 0.00 H new ATOM 0 HG CYS A 94 6.903 4.320 -0.755 1.00 0.00 H new ATOM 1461 N ASP A 95 8.926 8.203 -2.280 1.00 0.00 N ATOM 1462 CA ASP A 95 9.420 8.921 -3.453 1.00 0.00 C ATOM 1463 C ASP A 95 8.502 8.568 -4.627 1.00 0.00 C ATOM 1464 O ASP A 95 8.095 7.408 -4.727 1.00 0.00 O ATOM 1465 CB ASP A 95 10.869 8.515 -3.757 1.00 0.00 C ATOM 1466 CG ASP A 95 11.801 8.823 -2.587 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.250 9.981 -2.429 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.051 7.930 -1.744 1.00 0.00 O ATOM 0 H ASP A 95 9.002 7.188 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 95 9.413 9.997 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.908 7.449 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.215 9.042 -4.646 1.00 0.00 H new ATOM 1473 N PRO A 96 8.206 9.512 -5.540 1.00 0.00 N ATOM 1474 CA PRO A 96 7.354 9.262 -6.698 1.00 0.00 C ATOM 1475 C PRO A 96 8.125 8.544 -7.806 1.00 0.00 C ATOM 1476 O PRO A 96 7.530 7.847 -8.618 1.00 0.00 O ATOM 1477 CB PRO A 96 6.872 10.636 -7.172 1.00 0.00 C ATOM 1478 CG PRO A 96 7.972 11.583 -6.705 1.00 0.00 C ATOM 1479 CD PRO A 96 8.540 10.921 -5.453 1.00 0.00 C ATOM 0 HA PRO A 96 6.517 8.614 -6.438 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.750 10.666 -8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.908 10.895 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.738 11.709 -7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.575 12.574 -6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.620 11.060 -5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.114 11.365 -4.553 1.00 0.00 H new ATOM 1487 N ASP A 97 9.448 8.701 -7.860 1.00 0.00 N ATOM 1488 CA ASP A 97 10.301 8.044 -8.852 1.00 0.00 C ATOM 1489 C ASP A 97 10.066 6.536 -8.820 1.00 0.00 C ATOM 1490 O ASP A 97 9.613 5.925 -9.788 1.00 0.00 O ATOM 1491 CB ASP A 97 11.775 8.359 -8.562 1.00 0.00 C ATOM 1492 CG ASP A 97 12.565 8.503 -9.855 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.649 7.522 -10.629 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.040 9.629 -10.129 1.00 0.00 O ATOM 0 H ASP A 97 9.963 9.294 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 97 10.051 8.418 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.847 9.280 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.208 7.565 -7.953 1.00 0.00 H new ATOM 1499 N SER A 98 10.317 5.970 -7.645 1.00 0.00 N ATOM 1500 CA SER A 98 10.284 4.557 -7.338 1.00 0.00 C ATOM 1501 C SER A 98 8.839 4.031 -7.330 1.00 0.00 C ATOM 1502 O SER A 98 8.645 2.826 -7.466 1.00 0.00 O ATOM 1503 CB SER A 98 10.964 4.359 -5.971 1.00 0.00 C ATOM 1504 OG SER A 98 11.969 5.352 -5.782 1.00 0.00 O ATOM 0 H SER A 98 10.565 6.531 -6.830 1.00 0.00 H new ATOM 0 HA SER A 98 10.817 3.990 -8.101 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.223 4.422 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.408 3.365 -5.916 1.00 0.00 H new ATOM 0 HG SER A 98 12.397 5.222 -4.910 1.00 0.00 H new ATOM 1510 N TYR A 99 7.857 4.935 -7.179 1.00 0.00 N ATOM 1511 CA TYR A 99 6.417 4.694 -7.196 1.00 0.00 C ATOM 1512 C TYR A 99 5.927 4.406 -8.613 1.00 0.00 C ATOM 1513 O TYR A 99 5.151 3.471 -8.823 1.00 0.00 O ATOM 1514 CB TYR A 99 5.697 5.932 -6.635 1.00 0.00 C ATOM 1515 CG TYR A 99 4.204 5.797 -6.456 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.342 5.840 -7.568 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.671 5.702 -5.161 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.964 5.648 -7.401 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.289 5.558 -4.988 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.434 5.469 -6.106 1.00 0.00 C ATOM 1521 OH TYR A 99 0.115 5.187 -5.943 1.00 0.00 O ATOM 0 H TYR A 99 8.071 5.921 -7.032 1.00 0.00 H new ATOM 0 HA TYR A 99 6.197 3.822 -6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.139 6.180 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.890 6.774 -7.300 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.744 6.022 -8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.324 5.740 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.310 5.637 -8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.875 5.515 -3.991 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.006 4.646 -5.135 1.00 0.00 H new ATOM 1531 N HIS A 100 6.345 5.220 -9.593 1.00 0.00 N ATOM 1532 CA HIS A 100 6.013 4.961 -10.990 1.00 0.00 C ATOM 1533 C HIS A 100 6.581 3.605 -11.405 1.00 0.00 C ATOM 1534 O HIS A 100 5.958 2.894 -12.196 1.00 0.00 O ATOM 1535 CB HIS A 100 6.575 6.052 -11.914 1.00 0.00 C ATOM 1536 CG HIS A 100 6.033 7.435 -11.662 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.774 8.518 -11.260 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.727 7.832 -11.743 1.00 0.00 C ATOM 1539 CE1 HIS A 100 5.933 9.549 -11.071 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.672 9.185 -11.379 1.00 0.00 N ATOM 0 H HIS A 100 6.909 6.056 -9.440 1.00 0.00 H new ATOM 0 HA HIS A 100 4.927 4.961 -11.085 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.659 6.077 -11.806 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.364 5.777 -12.947 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.890 7.215 -12.034 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.225 10.529 -10.722 1.00 0.00 H new ATOM 0 HE2 HIS A 100 3.842 9.777 -11.352 1.00 0.00 H new ATOM 1548 N ARG A 101 7.757 3.258 -10.881 1.00 0.00 N ATOM 1549 CA ARG A 101 8.478 2.036 -11.209 1.00 0.00 C ATOM 1550 C ARG A 101 8.197 0.972 -10.144 1.00 0.00 C ATOM 1551 O ARG A 101 7.203 1.098 -9.432 1.00 0.00 O ATOM 1552 CB ARG A 101 9.952 2.379 -11.466 1.00 0.00 C ATOM 1553 CG ARG A 101 10.062 3.530 -12.495 1.00 0.00 C ATOM 1554 CD ARG A 101 11.386 3.585 -13.261 1.00 0.00 C ATOM 1555 NE ARG A 101 11.687 2.326 -13.967 1.00 0.00 N ATOM 1556 CZ ARG A 101 10.992 1.731 -14.946 1.00 0.00 C ATOM 1557 NH1 ARG A 101 9.928 2.293 -15.514 1.00 0.00 N ATOM 1558 NH2 ARG A 101 11.378 0.533 -15.359 1.00 0.00 N ATOM 0 H ARG A 101 8.245 3.838 -10.198 1.00 0.00 H new ATOM 0 HA ARG A 101 8.131 1.583 -12.137 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.433 2.669 -10.532 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.478 1.499 -11.836 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.247 3.435 -13.213 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.920 4.477 -11.975 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.350 4.402 -13.982 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.195 3.809 -12.565 1.00 0.00 H new ATOM 0 HE ARG A 101 12.536 1.845 -13.671 1.00 0.00 H new ATOM 0 HH11 ARG A 101 9.612 3.213 -15.207 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.428 1.804 -16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.188 0.083 -14.933 1.00 0.00 H new ATOM 0 HH22 ARG A 101 10.865 0.060 -16.103 1.00 0.00 H new ATOM 1572 N ARG A 102 8.957 -0.134 -10.095 1.00 0.00 N ATOM 1573 CA ARG A 102 8.782 -1.250 -9.152 1.00 0.00 C ATOM 1574 C ARG A 102 10.080 -1.410 -8.378 1.00 0.00 C ATOM 1575 O ARG A 102 10.683 -2.485 -8.364 1.00 0.00 O ATOM 1576 CB ARG A 102 8.370 -2.569 -9.864 1.00 0.00 C ATOM 1577 CG ARG A 102 6.903 -2.785 -10.260 1.00 0.00 C ATOM 1578 CD ARG A 102 6.196 -1.475 -10.521 1.00 0.00 C ATOM 1579 NE ARG A 102 4.823 -1.571 -10.992 1.00 0.00 N ATOM 1580 CZ ARG A 102 4.011 -0.508 -10.970 1.00 0.00 C ATOM 1581 NH1 ARG A 102 4.398 0.671 -10.474 1.00 0.00 N ATOM 1582 NH2 ARG A 102 2.794 -0.620 -11.466 1.00 0.00 N ATOM 0 H ARG A 102 9.738 -0.281 -10.734 1.00 0.00 H new ATOM 0 HA ARG A 102 7.963 -1.024 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.969 -2.652 -10.771 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.659 -3.395 -9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.855 -3.409 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.387 -3.325 -9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.203 -0.892 -9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.773 -0.915 -11.257 1.00 0.00 H new ATOM 0 HE ARG A 102 4.474 -2.462 -11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.339 0.781 -10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.752 1.461 -10.473 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.483 -1.508 -11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.164 0.182 -11.456 1.00 0.00 H new ATOM 1596 N ASP A 103 10.544 -0.337 -7.750 1.00 0.00 N ATOM 1597 CA ASP A 103 11.810 -0.331 -7.011 1.00 0.00 C ATOM 1598 C ASP A 103 11.529 -0.007 -5.547 1.00 0.00 C ATOM 1599 O ASP A 103 12.247 0.739 -4.881 1.00 0.00 O ATOM 1600 CB ASP A 103 12.849 0.537 -7.741 1.00 0.00 C ATOM 1601 CG ASP A 103 14.033 -0.338 -8.175 1.00 0.00 C ATOM 1602 OD1 ASP A 103 13.941 -1.015 -9.232 1.00 0.00 O ATOM 1603 OD2 ASP A 103 15.057 -0.414 -7.464 1.00 0.00 O ATOM 0 H ASP A 103 10.055 0.558 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 103 12.283 -1.313 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.395 1.011 -8.611 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.195 1.337 -7.086 1.00 0.00 H new ATOM 1608 N PHE A 104 10.419 -0.569 -5.066 1.00 0.00 N ATOM 1609 CA PHE A 104 9.940 -0.505 -3.698 1.00 0.00 C ATOM 1610 C PHE A 104 10.987 -1.138 -2.778 1.00 0.00 C ATOM 1611 O PHE A 104 11.603 -2.156 -3.123 1.00 0.00 O ATOM 1612 CB PHE A 104 8.604 -1.259 -3.612 1.00 0.00 C ATOM 1613 CG PHE A 104 7.639 -1.011 -4.762 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.271 0.303 -5.115 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.162 -2.097 -5.525 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.420 0.524 -6.212 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.307 -1.870 -6.618 1.00 0.00 C ATOM 1618 CZ PHE A 104 5.927 -0.562 -6.948 1.00 0.00 C ATOM 0 H PHE A 104 9.797 -1.113 -5.664 1.00 0.00 H new ATOM 0 HA PHE A 104 9.783 0.528 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.812 -2.328 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.110 -0.984 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.643 1.140 -4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.454 -3.105 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.146 1.532 -6.488 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.944 -2.702 -7.202 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.251 -0.390 -7.773 1.00 0.00 H new