USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 703 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 13 MET CE :methyl 138:sc= -5.8! (180deg=-1.77!) USER MOD Set 1.2: A 17 MET CE :methyl -116:sc= -0.445 (180deg=-0.00703) USER MOD Set 1.3: A 72 HIS : no HE2:sc= -9.29! C(o=-16!,f=-18!) USER MOD Set 2.1: A 10 ASN : amide:sc=-0.00598 X(o=0.7,f=0.66) USER MOD Set 2.2: A 65 TYR OH : rot 111:sc= 0.705 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -180:sc= 0.251 USER MOD Single : A 18 GLN : amide:sc= -10.8! C(o=-11!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= -4.58! C(o=-4.6!,f=-4.5!) USER MOD Single : A 24 CYS SG : rot 75:sc= 0.00179 USER MOD Single : A 26 THR OG1 : rot 130:sc= -0.937 USER MOD Single : A 27 GLN : amide:sc=-0.00174 X(o=-0.0017,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.104) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 150:sc= -1.22 USER MOD Single : A 51 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 55 HIS : no HE2:sc= -2.25! K(o=-2.2!,f=-1.4) USER MOD Single : A 56 CYS SG : rot -70:sc= -6.56! USER MOD Single : A 61 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.28) USER MOD Single : A 64 SER OG : rot 35:sc= -0.248 USER MOD Single : A 67 THR OG1 : rot 44:sc= 0.498 USER MOD Single : A 68 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.2) USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.331 USER MOD Single : A 75 TYR OH : rot -133:sc= 1.02 USER MOD Single : A 77 TYR OH : rot -25:sc= -0.874! USER MOD Single : A 80 GLN : amide:sc= -0.37 K(o=-0.37,f=-2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.180 18.005 -12.650 1.00 0.00 N ATOM 2 CA MET A 1 -11.468 17.885 -13.310 1.00 0.00 C ATOM 3 C MET A 1 -11.985 16.446 -13.248 1.00 0.00 C ATOM 4 O MET A 1 -13.115 16.207 -12.825 1.00 0.00 O ATOM 5 CB MET A 1 -11.335 18.318 -14.772 1.00 0.00 C ATOM 6 CG MET A 1 -11.645 19.808 -14.933 1.00 0.00 C ATOM 7 SD MET A 1 -11.195 20.352 -16.572 1.00 0.00 S ATOM 8 CE MET A 1 -10.240 21.803 -16.164 1.00 0.00 C ATOM 0 H1 MET A 1 -9.852 18.990 -12.706 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.274 17.728 -11.652 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.491 17.383 -13.119 1.00 0.00 H new ATOM 0 HA MET A 1 -12.180 18.529 -12.794 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.324 18.113 -15.125 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.014 17.733 -15.392 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.706 19.988 -14.760 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.098 20.384 -14.187 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.879 22.270 -17.080 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.866 22.509 -15.619 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.391 21.517 -15.543 1.00 0.00 H new ATOM 18 N SER A 2 -11.132 15.527 -13.675 1.00 0.00 N ATOM 19 CA SER A 2 -11.487 14.118 -13.674 1.00 0.00 C ATOM 20 C SER A 2 -10.797 13.405 -12.509 1.00 0.00 C ATOM 21 O SER A 2 -9.691 12.890 -12.660 1.00 0.00 O ATOM 22 CB SER A 2 -11.112 13.454 -14.999 1.00 0.00 C ATOM 23 OG SER A 2 -12.236 13.322 -15.867 1.00 0.00 O ATOM 0 H SER A 2 -10.196 15.731 -14.024 1.00 0.00 H new ATOM 0 HA SER A 2 -12.567 14.038 -13.552 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.339 14.042 -15.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.687 12.469 -14.804 1.00 0.00 H new ATOM 0 HG SER A 2 -11.955 12.895 -16.703 1.00 0.00 H new ATOM 29 N ASP A 3 -11.479 13.398 -11.374 1.00 0.00 N ATOM 30 CA ASP A 3 -10.946 12.757 -10.183 1.00 0.00 C ATOM 31 C ASP A 3 -11.947 11.715 -9.678 1.00 0.00 C ATOM 32 O ASP A 3 -13.115 11.734 -10.064 1.00 0.00 O ATOM 33 CB ASP A 3 -10.718 13.774 -9.065 1.00 0.00 C ATOM 34 CG ASP A 3 -11.992 14.341 -8.436 1.00 0.00 C ATOM 35 OD1 ASP A 3 -12.860 14.887 -9.132 1.00 0.00 O ATOM 36 OD2 ASP A 3 -12.077 14.202 -7.156 1.00 0.00 O ATOM 0 H ASP A 3 -12.397 13.826 -11.253 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.996 12.293 -10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.123 13.303 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.128 14.600 -9.461 1.00 0.00 H new ATOM 42 N ARG A 4 -11.453 10.833 -8.822 1.00 0.00 N ATOM 43 CA ARG A 4 -12.290 9.785 -8.261 1.00 0.00 C ATOM 44 C ARG A 4 -11.920 9.541 -6.796 1.00 0.00 C ATOM 45 O ARG A 4 -12.729 9.780 -5.900 1.00 0.00 O ATOM 46 CB ARG A 4 -12.138 8.479 -9.043 1.00 0.00 C ATOM 47 CG ARG A 4 -12.860 8.559 -10.390 1.00 0.00 C ATOM 48 CD ARG A 4 -12.105 7.775 -11.464 1.00 0.00 C ATOM 49 NE ARG A 4 -12.978 7.557 -12.639 1.00 0.00 N ATOM 50 CZ ARG A 4 -12.781 6.589 -13.560 1.00 0.00 C ATOM 51 NH1 ARG A 4 -11.737 5.741 -13.450 1.00 0.00 N ATOM 52 NH2 ARG A 4 -13.625 6.486 -14.569 1.00 0.00 N ATOM 0 H ARG A 4 -10.484 10.822 -8.503 1.00 0.00 H new ATOM 0 HA ARG A 4 -13.326 10.115 -8.329 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.081 8.269 -9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.541 7.652 -8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.871 8.163 -10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.955 9.601 -10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.210 8.320 -11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.776 6.817 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.779 8.177 -12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.089 5.828 -12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.596 5.013 -14.150 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.411 7.132 -14.644 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.491 5.761 -15.274 1.00 0.00 H new ATOM 65 N LYS A 5 -10.699 9.067 -6.598 1.00 0.00 N ATOM 66 CA LYS A 5 -10.213 8.787 -5.257 1.00 0.00 C ATOM 67 C LYS A 5 -8.737 8.395 -5.327 1.00 0.00 C ATOM 68 O LYS A 5 -8.087 8.586 -6.354 1.00 0.00 O ATOM 69 CB LYS A 5 -11.096 7.741 -4.575 1.00 0.00 C ATOM 70 CG LYS A 5 -10.924 6.368 -5.229 1.00 0.00 C ATOM 71 CD LYS A 5 -12.135 6.016 -6.095 1.00 0.00 C ATOM 72 CE LYS A 5 -11.737 5.084 -7.240 1.00 0.00 C ATOM 73 NZ LYS A 5 -12.792 4.071 -7.476 1.00 0.00 N ATOM 0 H LYS A 5 -10.031 8.870 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.277 9.679 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.841 7.678 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.140 8.047 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.022 6.363 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.791 5.609 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.899 5.539 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.575 6.928 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.572 5.664 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.796 4.589 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.505 3.447 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.930 3.506 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.682 4.548 -7.723 1.00 0.00 H new ATOM 85 N ALA A 6 -8.248 7.853 -4.220 1.00 0.00 N ATOM 86 CA ALA A 6 -6.860 7.433 -4.142 1.00 0.00 C ATOM 87 C ALA A 6 -6.498 6.646 -5.404 1.00 0.00 C ATOM 88 O ALA A 6 -6.881 5.485 -5.547 1.00 0.00 O ATOM 89 CB ALA A 6 -6.644 6.619 -2.865 1.00 0.00 C ATOM 0 H ALA A 6 -8.789 7.695 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.199 8.298 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.602 6.304 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.887 7.232 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.289 5.740 -2.880 1.00 0.00 H new ATOM 95 N VAL A 7 -5.765 7.308 -6.286 1.00 0.00 N ATOM 96 CA VAL A 7 -5.348 6.687 -7.530 1.00 0.00 C ATOM 97 C VAL A 7 -4.381 5.542 -7.224 1.00 0.00 C ATOM 98 O VAL A 7 -3.826 5.470 -6.127 1.00 0.00 O ATOM 99 CB VAL A 7 -4.754 7.738 -8.468 1.00 0.00 C ATOM 100 CG1 VAL A 7 -4.390 7.123 -9.822 1.00 0.00 C ATOM 101 CG2 VAL A 7 -5.707 8.922 -8.642 1.00 0.00 C ATOM 0 H VAL A 7 -5.449 8.270 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.206 6.258 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.837 8.112 -8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.970 7.892 -10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.656 6.331 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.285 6.708 -10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.259 9.654 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.649 8.572 -9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.893 9.385 -7.673 1.00 0.00 H new ATOM 111 N ILE A 8 -4.205 4.677 -8.211 1.00 0.00 N ATOM 112 CA ILE A 8 -3.314 3.540 -8.060 1.00 0.00 C ATOM 113 C ILE A 8 -2.437 3.415 -9.309 1.00 0.00 C ATOM 114 O ILE A 8 -2.936 3.484 -10.430 1.00 0.00 O ATOM 115 CB ILE A 8 -4.109 2.272 -7.739 1.00 0.00 C ATOM 116 CG1 ILE A 8 -4.473 2.216 -6.253 1.00 0.00 C ATOM 117 CG2 ILE A 8 -3.355 1.021 -8.191 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.694 3.090 -5.956 1.00 0.00 C ATOM 0 H ILE A 8 -4.665 4.741 -9.119 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.645 3.692 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.043 2.304 -8.300 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.679 1.186 -5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.626 2.552 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.943 0.135 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.189 1.065 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.395 0.970 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.932 3.033 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.475 4.124 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.545 2.736 -6.538 1.00 0.00 H new ATOM 130 N LYS A 9 -1.147 3.232 -9.072 1.00 0.00 N ATOM 131 CA LYS A 9 -0.196 3.097 -10.162 1.00 0.00 C ATOM 132 C LYS A 9 -0.071 1.621 -10.544 1.00 0.00 C ATOM 133 O LYS A 9 -0.369 1.241 -11.676 1.00 0.00 O ATOM 134 CB LYS A 9 1.137 3.753 -9.796 1.00 0.00 C ATOM 135 CG LYS A 9 1.069 5.271 -9.980 1.00 0.00 C ATOM 136 CD LYS A 9 2.243 5.960 -9.279 1.00 0.00 C ATOM 137 CE LYS A 9 1.746 6.977 -8.250 1.00 0.00 C ATOM 138 NZ LYS A 9 1.884 8.355 -8.774 1.00 0.00 N ATOM 0 H LYS A 9 -0.737 3.174 -8.140 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.552 3.626 -11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.390 3.519 -8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.932 3.343 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.082 5.513 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.128 5.648 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.866 5.213 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.869 6.461 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.702 6.777 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.314 6.875 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.542 9.033 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.884 8.548 -8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.323 8.453 -9.644 1.00 0.00 H new ATOM 150 N ASN A 10 0.370 0.829 -9.577 1.00 0.00 N ATOM 151 CA ASN A 10 0.539 -0.598 -9.799 1.00 0.00 C ATOM 152 C ASN A 10 0.243 -1.349 -8.498 1.00 0.00 C ATOM 153 O ASN A 10 0.707 -0.955 -7.429 1.00 0.00 O ATOM 154 CB ASN A 10 1.973 -0.925 -10.217 1.00 0.00 C ATOM 155 CG ASN A 10 1.998 -1.673 -11.552 1.00 0.00 C ATOM 156 OD1 ASN A 10 1.356 -1.293 -12.518 1.00 0.00 O ATOM 157 ND2 ASN A 10 2.772 -2.754 -11.552 1.00 0.00 N ATOM 0 H ASN A 10 0.615 1.147 -8.639 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.145 -0.900 -10.592 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.550 -0.004 -10.301 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.451 -1.531 -9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.855 -3.322 -12.395 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.282 -3.016 -10.709 1.00 0.00 H new ATOM 164 N ALA A 11 -0.528 -2.418 -8.633 1.00 0.00 N ATOM 165 CA ALA A 11 -0.891 -3.227 -7.483 1.00 0.00 C ATOM 166 C ALA A 11 -1.168 -4.662 -7.940 1.00 0.00 C ATOM 167 O ALA A 11 -0.677 -5.614 -7.337 1.00 0.00 O ATOM 168 CB ALA A 11 -2.093 -2.600 -6.775 1.00 0.00 C ATOM 0 H ALA A 11 -0.911 -2.742 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.071 -3.261 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.365 -3.208 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.836 -1.594 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.936 -2.551 -7.464 1.00 0.00 H new ATOM 174 N ASP A 12 -1.953 -4.768 -9.002 1.00 0.00 N ATOM 175 CA ASP A 12 -2.300 -6.069 -9.548 1.00 0.00 C ATOM 176 C ASP A 12 -3.123 -6.846 -8.517 1.00 0.00 C ATOM 177 O ASP A 12 -3.655 -6.262 -7.575 1.00 0.00 O ATOM 178 CB ASP A 12 -1.047 -6.887 -9.866 1.00 0.00 C ATOM 179 CG ASP A 12 -0.983 -7.445 -11.289 1.00 0.00 C ATOM 180 OD1 ASP A 12 -1.725 -8.371 -11.646 1.00 0.00 O ATOM 181 OD2 ASP A 12 -0.112 -6.880 -12.056 1.00 0.00 O ATOM 0 H ASP A 12 -2.358 -3.975 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.867 -5.909 -10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.171 -6.261 -9.697 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.986 -7.718 -9.163 1.00 0.00 H new ATOM 187 N MET A 13 -3.201 -8.151 -8.732 1.00 0.00 N ATOM 188 CA MET A 13 -3.948 -9.014 -7.833 1.00 0.00 C ATOM 189 C MET A 13 -5.454 -8.889 -8.079 1.00 0.00 C ATOM 190 O MET A 13 -5.877 -8.259 -9.048 1.00 0.00 O ATOM 191 CB MET A 13 -3.635 -8.638 -6.384 1.00 0.00 C ATOM 192 CG MET A 13 -3.359 -9.884 -5.541 1.00 0.00 C ATOM 193 SD MET A 13 -2.694 -9.413 -3.954 1.00 0.00 S ATOM 194 CE MET A 13 -2.805 -10.974 -3.094 1.00 0.00 C ATOM 0 H MET A 13 -2.759 -8.632 -9.516 1.00 0.00 H new ATOM 0 HA MET A 13 -3.651 -10.046 -8.021 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.769 -7.976 -6.355 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.473 -8.085 -5.959 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.279 -10.452 -5.405 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.656 -10.536 -6.060 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.898 -11.133 -2.510 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.668 -10.962 -2.428 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.917 -11.781 -3.818 1.00 0.00 H new ATOM 204 N SER A 14 -6.219 -9.499 -7.187 1.00 0.00 N ATOM 205 CA SER A 14 -7.668 -9.463 -7.294 1.00 0.00 C ATOM 206 C SER A 14 -8.218 -8.246 -6.549 1.00 0.00 C ATOM 207 O SER A 14 -7.712 -7.880 -5.489 1.00 0.00 O ATOM 208 CB SER A 14 -8.293 -10.748 -6.747 1.00 0.00 C ATOM 209 OG SER A 14 -9.681 -10.589 -6.468 1.00 0.00 O ATOM 0 H SER A 14 -5.863 -10.021 -6.386 1.00 0.00 H new ATOM 0 HA SER A 14 -7.931 -9.384 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.158 -11.553 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.772 -11.046 -5.837 1.00 0.00 H new ATOM 0 HG SER A 14 -10.043 -11.430 -6.120 1.00 0.00 H new ATOM 215 N GLU A 15 -9.248 -7.650 -7.132 1.00 0.00 N ATOM 216 CA GLU A 15 -9.873 -6.482 -6.536 1.00 0.00 C ATOM 217 C GLU A 15 -10.135 -6.719 -5.049 1.00 0.00 C ATOM 218 O GLU A 15 -10.252 -5.770 -4.276 1.00 0.00 O ATOM 219 CB GLU A 15 -11.166 -6.117 -7.269 1.00 0.00 C ATOM 220 CG GLU A 15 -11.281 -4.603 -7.458 1.00 0.00 C ATOM 221 CD GLU A 15 -10.754 -4.177 -8.829 1.00 0.00 C ATOM 222 OE1 GLU A 15 -9.933 -4.890 -9.426 1.00 0.00 O ATOM 223 OE2 GLU A 15 -11.227 -3.063 -9.275 1.00 0.00 O ATOM 0 H GLU A 15 -9.665 -7.955 -8.011 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.188 -5.640 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.189 -6.611 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.024 -6.483 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.323 -4.299 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.721 -4.092 -6.675 1.00 0.00 H new ATOM 231 N GLU A 16 -10.219 -7.993 -4.692 1.00 0.00 N ATOM 232 CA GLU A 16 -10.465 -8.369 -3.310 1.00 0.00 C ATOM 233 C GLU A 16 -9.354 -7.828 -2.407 1.00 0.00 C ATOM 234 O GLU A 16 -9.629 -7.160 -1.412 1.00 0.00 O ATOM 235 CB GLU A 16 -10.595 -9.887 -3.170 1.00 0.00 C ATOM 236 CG GLU A 16 -9.301 -10.589 -3.585 1.00 0.00 C ATOM 237 CD GLU A 16 -9.548 -12.073 -3.862 1.00 0.00 C ATOM 238 OE1 GLU A 16 -10.253 -12.416 -4.823 1.00 0.00 O ATOM 239 OE2 GLU A 16 -8.977 -12.884 -3.038 1.00 0.00 O ATOM 0 H GLU A 16 -10.121 -8.778 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.410 -7.926 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.836 -10.141 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.420 -10.243 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.894 -10.112 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.556 -10.481 -2.797 1.00 0.00 H new ATOM 247 N MET A 17 -8.124 -8.138 -2.787 1.00 0.00 N ATOM 248 CA MET A 17 -6.970 -7.691 -2.025 1.00 0.00 C ATOM 249 C MET A 17 -6.635 -6.231 -2.340 1.00 0.00 C ATOM 250 O MET A 17 -6.309 -5.457 -1.442 1.00 0.00 O ATOM 251 CB MET A 17 -5.766 -8.574 -2.355 1.00 0.00 C ATOM 252 CG MET A 17 -6.084 -10.049 -2.109 1.00 0.00 C ATOM 253 SD MET A 17 -6.164 -10.925 -3.663 1.00 0.00 S ATOM 254 CE MET A 17 -5.775 -12.577 -3.108 1.00 0.00 C ATOM 0 H MET A 17 -7.901 -8.694 -3.613 1.00 0.00 H new ATOM 0 HA MET A 17 -7.208 -7.768 -0.964 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.479 -8.429 -3.396 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.914 -8.275 -1.745 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.320 -10.493 -1.471 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.033 -10.142 -1.581 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.836 -12.900 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.680 -12.583 -2.022 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.572 -13.258 -3.406 1.00 0.00 H new ATOM 264 N GLN A 18 -6.729 -5.900 -3.620 1.00 0.00 N ATOM 265 CA GLN A 18 -6.440 -4.547 -4.066 1.00 0.00 C ATOM 266 C GLN A 18 -7.400 -3.554 -3.406 1.00 0.00 C ATOM 267 O GLN A 18 -6.982 -2.490 -2.951 1.00 0.00 O ATOM 268 CB GLN A 18 -6.509 -4.446 -5.590 1.00 0.00 C ATOM 269 CG GLN A 18 -6.496 -2.984 -6.044 1.00 0.00 C ATOM 270 CD GLN A 18 -5.291 -2.241 -5.467 1.00 0.00 C ATOM 271 OE1 GLN A 18 -5.022 -2.271 -4.277 1.00 0.00 O ATOM 272 NE2 GLN A 18 -4.582 -1.575 -6.373 1.00 0.00 N ATOM 0 H GLN A 18 -7.001 -6.545 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.423 -4.295 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.665 -4.975 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.415 -4.934 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.469 -2.938 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.416 -2.493 -5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.863 -1.592 -7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.757 -1.047 -6.088 1.00 0.00 H new ATOM 281 N GLN A 19 -8.667 -3.939 -3.374 1.00 0.00 N ATOM 282 CA GLN A 19 -9.690 -3.095 -2.779 1.00 0.00 C ATOM 283 C GLN A 19 -9.521 -3.051 -1.258 1.00 0.00 C ATOM 284 O GLN A 19 -9.382 -1.977 -0.676 1.00 0.00 O ATOM 285 CB GLN A 19 -11.091 -3.579 -3.162 1.00 0.00 C ATOM 286 CG GLN A 19 -12.128 -2.474 -2.949 1.00 0.00 C ATOM 287 CD GLN A 19 -11.874 -1.729 -1.638 1.00 0.00 C ATOM 288 OE1 GLN A 19 -11.355 -0.626 -1.610 1.00 0.00 O ATOM 289 NE2 GLN A 19 -12.271 -2.391 -0.553 1.00 0.00 N ATOM 0 H GLN A 19 -9.009 -4.823 -3.750 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.572 -2.084 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.099 -3.894 -4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.355 -4.451 -2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.094 -1.773 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.128 -2.907 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.699 -3.312 -0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.147 -1.977 0.371 1.00 0.00 H new ATOM 298 N ASP A 20 -9.540 -4.233 -0.659 1.00 0.00 N ATOM 299 CA ASP A 20 -9.392 -4.344 0.782 1.00 0.00 C ATOM 300 C ASP A 20 -8.162 -3.551 1.226 1.00 0.00 C ATOM 301 O ASP A 20 -8.211 -2.823 2.217 1.00 0.00 O ATOM 302 CB ASP A 20 -9.193 -5.801 1.206 1.00 0.00 C ATOM 303 CG ASP A 20 -9.420 -6.079 2.693 1.00 0.00 C ATOM 304 OD1 ASP A 20 -10.029 -5.269 3.408 1.00 0.00 O ATOM 305 OD2 ASP A 20 -8.935 -7.195 3.119 1.00 0.00 O ATOM 0 H ASP A 20 -9.656 -5.122 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.299 -3.955 1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.871 -6.428 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.179 -6.104 0.946 1.00 0.00 H new ATOM 311 N ALA A 21 -7.085 -3.718 0.471 1.00 0.00 N ATOM 312 CA ALA A 21 -5.844 -3.026 0.775 1.00 0.00 C ATOM 313 C ALA A 21 -6.048 -1.521 0.598 1.00 0.00 C ATOM 314 O ALA A 21 -6.077 -0.775 1.576 1.00 0.00 O ATOM 315 CB ALA A 21 -4.724 -3.571 -0.115 1.00 0.00 C ATOM 0 H ALA A 21 -7.047 -4.322 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.552 -3.200 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.793 -3.052 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.599 -4.638 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.981 -3.412 -1.162 1.00 0.00 H new ATOM 321 N VAL A 22 -6.183 -1.117 -0.658 1.00 0.00 N ATOM 322 CA VAL A 22 -6.382 0.287 -0.974 1.00 0.00 C ATOM 323 C VAL A 22 -7.352 0.900 0.037 1.00 0.00 C ATOM 324 O VAL A 22 -7.272 2.092 0.335 1.00 0.00 O ATOM 325 CB VAL A 22 -6.857 0.434 -2.421 1.00 0.00 C ATOM 326 CG1 VAL A 22 -8.385 0.412 -2.502 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.292 1.705 -3.057 1.00 0.00 C ATOM 0 H VAL A 22 -6.158 -1.737 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.442 0.833 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.480 -0.419 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.696 0.518 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.757 -0.533 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.792 1.236 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.645 1.785 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.625 2.574 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.203 1.662 -3.050 1.00 0.00 H new ATOM 337 N ASP A 23 -8.245 0.060 0.539 1.00 0.00 N ATOM 338 CA ASP A 23 -9.229 0.506 1.512 1.00 0.00 C ATOM 339 C ASP A 23 -8.514 0.925 2.798 1.00 0.00 C ATOM 340 O ASP A 23 -8.580 2.086 3.199 1.00 0.00 O ATOM 341 CB ASP A 23 -10.207 -0.618 1.860 1.00 0.00 C ATOM 342 CG ASP A 23 -11.522 -0.158 2.490 1.00 0.00 C ATOM 343 OD1 ASP A 23 -11.646 -0.074 3.722 1.00 0.00 O ATOM 344 OD2 ASP A 23 -12.460 0.125 1.651 1.00 0.00 O ATOM 0 H ASP A 23 -8.308 -0.927 0.291 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.779 1.341 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.433 -1.177 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.715 -1.308 2.545 1.00 0.00 H new ATOM 350 N CYS A 24 -7.846 -0.042 3.408 1.00 0.00 N ATOM 351 CA CYS A 24 -7.119 0.213 4.642 1.00 0.00 C ATOM 352 C CYS A 24 -6.118 1.341 4.384 1.00 0.00 C ATOM 353 O CYS A 24 -5.788 2.102 5.292 1.00 0.00 O ATOM 354 CB CYS A 24 -6.434 -1.050 5.164 1.00 0.00 C ATOM 355 SG CYS A 24 -7.690 -2.284 5.662 1.00 0.00 S ATOM 0 H CYS A 24 -7.792 -1.004 3.072 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.816 0.518 5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.788 -1.468 4.392 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.798 -0.804 6.014 1.00 0.00 H new ATOM 0 HG CYS A 24 -8.208 -2.829 4.601 1.00 0.00 H new ATOM 361 N ALA A 25 -5.663 1.412 3.142 1.00 0.00 N ATOM 362 CA ALA A 25 -4.705 2.435 2.754 1.00 0.00 C ATOM 363 C ALA A 25 -5.367 3.811 2.854 1.00 0.00 C ATOM 364 O ALA A 25 -5.071 4.582 3.765 1.00 0.00 O ATOM 365 CB ALA A 25 -4.184 2.139 1.347 1.00 0.00 C ATOM 0 H ALA A 25 -5.939 0.779 2.391 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.847 2.432 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.466 2.906 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.697 1.164 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.017 2.136 0.644 1.00 0.00 H new ATOM 371 N THR A 26 -6.251 4.078 1.903 1.00 0.00 N ATOM 372 CA THR A 26 -6.957 5.346 1.873 1.00 0.00 C ATOM 373 C THR A 26 -7.540 5.666 3.250 1.00 0.00 C ATOM 374 O THR A 26 -7.346 6.763 3.772 1.00 0.00 O ATOM 375 CB THR A 26 -8.013 5.274 0.767 1.00 0.00 C ATOM 376 OG1 THR A 26 -7.256 5.325 -0.439 1.00 0.00 O ATOM 377 CG2 THR A 26 -8.889 6.527 0.711 1.00 0.00 C ATOM 0 H THR A 26 -6.494 3.437 1.148 1.00 0.00 H new ATOM 0 HA THR A 26 -6.280 6.169 1.643 1.00 0.00 H new ATOM 0 HB THR A 26 -8.643 4.398 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.535 4.596 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.621 6.424 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.407 6.651 1.662 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.264 7.400 0.522 1.00 0.00 H new ATOM 385 N GLN A 27 -8.245 4.688 3.801 1.00 0.00 N ATOM 386 CA GLN A 27 -8.857 4.850 5.107 1.00 0.00 C ATOM 387 C GLN A 27 -7.808 5.277 6.136 1.00 0.00 C ATOM 388 O GLN A 27 -8.017 6.233 6.883 1.00 0.00 O ATOM 389 CB GLN A 27 -9.564 3.566 5.546 1.00 0.00 C ATOM 390 CG GLN A 27 -10.776 3.278 4.660 1.00 0.00 C ATOM 391 CD GLN A 27 -12.064 3.247 5.486 1.00 0.00 C ATOM 392 OE1 GLN A 27 -12.367 2.289 6.178 1.00 0.00 O ATOM 393 NE2 GLN A 27 -12.805 4.347 5.373 1.00 0.00 N ATOM 0 H GLN A 27 -8.405 3.780 3.365 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.610 5.635 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.868 2.729 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.882 3.658 6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.855 4.041 3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.642 2.322 4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.493 5.113 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.685 4.424 5.883 1.00 0.00 H new ATOM 402 N ALA A 28 -6.701 4.550 6.144 1.00 0.00 N ATOM 403 CA ALA A 28 -5.619 4.840 7.068 1.00 0.00 C ATOM 404 C ALA A 28 -5.263 6.326 6.977 1.00 0.00 C ATOM 405 O ALA A 28 -5.222 7.021 7.991 1.00 0.00 O ATOM 406 CB ALA A 28 -4.425 3.935 6.759 1.00 0.00 C ATOM 0 H ALA A 28 -6.530 3.759 5.523 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.925 4.635 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.614 4.154 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.722 2.892 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.087 4.114 5.738 1.00 0.00 H new ATOM 412 N LEU A 29 -5.013 6.768 5.753 1.00 0.00 N ATOM 413 CA LEU A 29 -4.662 8.158 5.517 1.00 0.00 C ATOM 414 C LEU A 29 -5.858 9.047 5.860 1.00 0.00 C ATOM 415 O LEU A 29 -5.695 10.237 6.128 1.00 0.00 O ATOM 416 CB LEU A 29 -4.146 8.344 4.089 1.00 0.00 C ATOM 417 CG LEU A 29 -3.498 9.696 3.781 1.00 0.00 C ATOM 418 CD1 LEU A 29 -2.075 9.514 3.251 1.00 0.00 C ATOM 419 CD2 LEU A 29 -4.367 10.514 2.822 1.00 0.00 C ATOM 0 H LEU A 29 -5.047 6.188 4.915 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.843 8.461 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.419 7.559 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.979 8.197 3.401 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.425 10.260 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.638 10.490 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.471 9.000 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.100 8.922 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.884 11.470 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.493 9.966 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.343 10.689 3.275 1.00 0.00 H new ATOM 431 N GLU A 30 -7.034 8.438 5.840 1.00 0.00 N ATOM 432 CA GLU A 30 -8.257 9.160 6.146 1.00 0.00 C ATOM 433 C GLU A 30 -8.585 9.043 7.637 1.00 0.00 C ATOM 434 O GLU A 30 -9.665 9.438 8.070 1.00 0.00 O ATOM 435 CB GLU A 30 -9.420 8.656 5.288 1.00 0.00 C ATOM 436 CG GLU A 30 -10.126 9.817 4.587 1.00 0.00 C ATOM 437 CD GLU A 30 -11.571 9.451 4.239 1.00 0.00 C ATOM 438 OE1 GLU A 30 -12.318 8.983 5.112 1.00 0.00 O ATOM 439 OE2 GLU A 30 -11.911 9.668 3.014 1.00 0.00 O ATOM 0 H GLU A 30 -7.166 7.452 5.616 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.103 10.213 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.049 7.949 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.132 8.117 5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.115 10.696 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.585 10.081 3.678 1.00 0.00 H new ATOM 447 N LYS A 31 -7.630 8.500 8.377 1.00 0.00 N ATOM 448 CA LYS A 31 -7.804 8.326 9.810 1.00 0.00 C ATOM 449 C LYS A 31 -6.557 8.837 10.535 1.00 0.00 C ATOM 450 O LYS A 31 -6.663 9.550 11.532 1.00 0.00 O ATOM 451 CB LYS A 31 -8.152 6.872 10.135 1.00 0.00 C ATOM 452 CG LYS A 31 -7.923 6.572 11.618 1.00 0.00 C ATOM 453 CD LYS A 31 -9.062 5.724 12.189 1.00 0.00 C ATOM 454 CE LYS A 31 -8.871 4.246 11.842 1.00 0.00 C ATOM 455 NZ LYS A 31 -10.180 3.593 11.621 1.00 0.00 N ATOM 0 H LYS A 31 -6.734 8.175 8.013 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.647 8.918 10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.193 6.677 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.543 6.204 9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.976 6.048 11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.847 7.506 12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.103 5.845 13.271 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.015 6.074 11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.256 4.153 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.338 3.743 12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.033 2.591 11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.754 3.666 12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.674 4.063 10.836 1.00 0.00 H new ATOM 467 N TYR A 32 -5.405 8.452 10.008 1.00 0.00 N ATOM 468 CA TYR A 32 -4.140 8.863 10.592 1.00 0.00 C ATOM 469 C TYR A 32 -3.575 10.089 9.872 1.00 0.00 C ATOM 470 O TYR A 32 -4.152 10.560 8.894 1.00 0.00 O ATOM 471 CB TYR A 32 -3.182 7.685 10.396 1.00 0.00 C ATOM 472 CG TYR A 32 -3.379 6.549 11.401 1.00 0.00 C ATOM 473 CD1 TYR A 32 -4.392 5.629 11.215 1.00 0.00 C ATOM 474 CD2 TYR A 32 -2.545 6.444 12.495 1.00 0.00 C ATOM 475 CE1 TYR A 32 -4.578 4.560 12.162 1.00 0.00 C ATOM 476 CE2 TYR A 32 -2.730 5.374 13.441 1.00 0.00 C ATOM 477 CZ TYR A 32 -3.738 4.486 13.228 1.00 0.00 C ATOM 478 OH TYR A 32 -3.911 3.475 14.123 1.00 0.00 O ATOM 0 H TYR A 32 -5.321 7.859 9.182 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.270 9.126 11.642 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.309 7.291 9.388 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.157 8.048 10.470 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.045 5.711 10.359 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.754 7.164 12.642 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.366 3.834 12.028 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.083 5.279 14.300 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.238 3.547 14.832 1.00 0.00 H new ATOM 488 N ASN A 33 -2.451 10.572 10.384 1.00 0.00 N ATOM 489 CA ASN A 33 -1.802 11.733 9.802 1.00 0.00 C ATOM 490 C ASN A 33 -0.317 11.429 9.592 1.00 0.00 C ATOM 491 O ASN A 33 0.245 11.757 8.547 1.00 0.00 O ATOM 492 CB ASN A 33 -1.910 12.946 10.728 1.00 0.00 C ATOM 493 CG ASN A 33 -2.005 14.244 9.924 1.00 0.00 C ATOM 494 OD1 ASN A 33 -1.031 14.745 9.388 1.00 0.00 O ATOM 495 ND2 ASN A 33 -3.230 14.759 9.871 1.00 0.00 N ATOM 0 H ASN A 33 -1.974 10.179 11.196 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.295 11.957 8.856 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.788 12.844 11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.042 12.984 11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.397 15.625 9.359 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.002 14.288 10.343 1.00 0.00 H new ATOM 502 N ILE A 34 0.276 10.809 10.600 1.00 0.00 N ATOM 503 CA ILE A 34 1.684 10.458 10.538 1.00 0.00 C ATOM 504 C ILE A 34 1.891 9.376 9.475 1.00 0.00 C ATOM 505 O ILE A 34 1.930 8.189 9.793 1.00 0.00 O ATOM 506 CB ILE A 34 2.200 10.064 11.924 1.00 0.00 C ATOM 507 CG1 ILE A 34 1.815 11.111 12.971 1.00 0.00 C ATOM 508 CG2 ILE A 34 3.708 9.809 11.896 1.00 0.00 C ATOM 509 CD1 ILE A 34 1.138 10.457 14.176 1.00 0.00 C ATOM 0 H ILE A 34 -0.193 10.540 11.465 1.00 0.00 H new ATOM 0 HA ILE A 34 2.277 11.321 10.235 1.00 0.00 H new ATOM 0 HB ILE A 34 1.721 9.129 12.213 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.705 11.649 13.297 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.144 11.846 12.526 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.049 9.531 12.893 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.927 9.000 11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.224 10.714 11.576 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.874 11.223 14.905 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.235 9.940 13.850 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.821 9.741 14.633 1.00 0.00 H new ATOM 521 N GLU A 35 2.017 9.827 8.236 1.00 0.00 N ATOM 522 CA GLU A 35 2.217 8.914 7.124 1.00 0.00 C ATOM 523 C GLU A 35 3.047 7.708 7.571 1.00 0.00 C ATOM 524 O GLU A 35 2.730 6.570 7.228 1.00 0.00 O ATOM 525 CB GLU A 35 2.877 9.624 5.941 1.00 0.00 C ATOM 526 CG GLU A 35 1.922 10.639 5.309 1.00 0.00 C ATOM 527 CD GLU A 35 2.334 12.071 5.658 1.00 0.00 C ATOM 528 OE1 GLU A 35 3.474 12.301 6.090 1.00 0.00 O ATOM 529 OE2 GLU A 35 1.422 12.963 5.466 1.00 0.00 O ATOM 0 H GLU A 35 1.984 10.813 7.978 1.00 0.00 H new ATOM 0 HA GLU A 35 1.241 8.558 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.783 10.130 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.179 8.890 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.915 10.512 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.906 10.454 5.658 1.00 0.00 H new ATOM 537 N LYS A 36 4.094 8.000 8.330 1.00 0.00 N ATOM 538 CA LYS A 36 4.972 6.954 8.828 1.00 0.00 C ATOM 539 C LYS A 36 4.129 5.858 9.486 1.00 0.00 C ATOM 540 O LYS A 36 4.287 4.679 9.173 1.00 0.00 O ATOM 541 CB LYS A 36 6.040 7.544 9.750 1.00 0.00 C ATOM 542 CG LYS A 36 7.446 7.229 9.233 1.00 0.00 C ATOM 543 CD LYS A 36 8.398 6.918 10.389 1.00 0.00 C ATOM 544 CE LYS A 36 9.782 7.519 10.135 1.00 0.00 C ATOM 545 NZ LYS A 36 10.622 7.419 11.350 1.00 0.00 N ATOM 0 H LYS A 36 4.354 8.945 8.612 1.00 0.00 H new ATOM 0 HA LYS A 36 5.516 6.490 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.908 8.624 9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.920 7.142 10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.405 6.379 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.826 8.076 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.990 7.315 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.484 5.839 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.265 6.998 9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.683 8.563 9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.558 7.831 11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.168 7.936 12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.732 6.419 11.615 1.00 0.00 H new ATOM 557 N ASP A 37 3.256 6.286 10.385 1.00 0.00 N ATOM 558 CA ASP A 37 2.391 5.356 11.090 1.00 0.00 C ATOM 559 C ASP A 37 1.331 4.823 10.125 1.00 0.00 C ATOM 560 O ASP A 37 0.788 3.737 10.330 1.00 0.00 O ATOM 561 CB ASP A 37 1.671 6.046 12.250 1.00 0.00 C ATOM 562 CG ASP A 37 1.154 5.105 13.340 1.00 0.00 C ATOM 563 OD1 ASP A 37 1.593 5.165 14.498 1.00 0.00 O ATOM 564 OD2 ASP A 37 0.247 4.271 12.955 1.00 0.00 O ATOM 0 H ASP A 37 3.129 7.265 10.642 1.00 0.00 H new ATOM 0 HA ASP A 37 3.010 4.548 11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.352 6.765 12.705 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.830 6.612 11.851 1.00 0.00 H new ATOM 570 N ILE A 38 1.065 5.610 9.093 1.00 0.00 N ATOM 571 CA ILE A 38 0.079 5.232 8.095 1.00 0.00 C ATOM 572 C ILE A 38 0.575 3.999 7.337 1.00 0.00 C ATOM 573 O ILE A 38 -0.142 3.005 7.225 1.00 0.00 O ATOM 574 CB ILE A 38 -0.251 6.419 7.189 1.00 0.00 C ATOM 575 CG1 ILE A 38 -0.655 7.643 8.014 1.00 0.00 C ATOM 576 CG2 ILE A 38 -1.321 6.043 6.161 1.00 0.00 C ATOM 577 CD1 ILE A 38 -1.136 8.780 7.110 1.00 0.00 C ATOM 0 H ILE A 38 1.516 6.509 8.926 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.861 4.957 8.574 1.00 0.00 H new ATOM 0 HB ILE A 38 0.649 6.686 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.446 7.370 8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.193 7.981 8.609 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.537 6.905 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.959 5.222 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.230 5.735 6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.417 9.637 7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.335 9.067 6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.999 8.447 6.534 1.00 0.00 H new ATOM 589 N ALA A 39 1.797 4.103 6.838 1.00 0.00 N ATOM 590 CA ALA A 39 2.398 3.010 6.093 1.00 0.00 C ATOM 591 C ALA A 39 2.607 1.817 7.028 1.00 0.00 C ATOM 592 O ALA A 39 2.349 0.674 6.650 1.00 0.00 O ATOM 593 CB ALA A 39 3.702 3.483 5.450 1.00 0.00 C ATOM 0 H ALA A 39 2.388 4.928 6.935 1.00 0.00 H new ATOM 0 HA ALA A 39 1.738 2.687 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.151 2.662 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.494 4.311 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.392 3.814 6.227 1.00 0.00 H new ATOM 599 N ALA A 40 3.073 2.123 8.229 1.00 0.00 N ATOM 600 CA ALA A 40 3.321 1.090 9.221 1.00 0.00 C ATOM 601 C ALA A 40 1.992 0.458 9.636 1.00 0.00 C ATOM 602 O ALA A 40 1.947 -0.710 10.018 1.00 0.00 O ATOM 603 CB ALA A 40 4.077 1.692 10.408 1.00 0.00 C ATOM 0 H ALA A 40 3.286 3.071 8.538 1.00 0.00 H new ATOM 0 HA ALA A 40 3.946 0.300 8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.263 0.917 11.152 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.027 2.101 10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.480 2.487 10.854 1.00 0.00 H new ATOM 609 N TYR A 41 0.939 1.259 9.548 1.00 0.00 N ATOM 610 CA TYR A 41 -0.389 0.793 9.911 1.00 0.00 C ATOM 611 C TYR A 41 -0.951 -0.145 8.840 1.00 0.00 C ATOM 612 O TYR A 41 -1.630 -1.120 9.158 1.00 0.00 O ATOM 613 CB TYR A 41 -1.266 2.043 9.989 1.00 0.00 C ATOM 614 CG TYR A 41 -2.769 1.754 9.932 1.00 0.00 C ATOM 615 CD1 TYR A 41 -3.358 1.400 8.735 1.00 0.00 C ATOM 616 CD2 TYR A 41 -3.533 1.845 11.077 1.00 0.00 C ATOM 617 CE1 TYR A 41 -4.771 1.128 8.682 1.00 0.00 C ATOM 618 CE2 TYR A 41 -4.945 1.572 11.023 1.00 0.00 C ATOM 619 CZ TYR A 41 -5.495 1.227 9.828 1.00 0.00 C ATOM 620 OH TYR A 41 -6.829 0.969 9.776 1.00 0.00 O ATOM 0 H TYR A 41 0.979 2.228 9.231 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.361 0.243 10.852 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.043 2.573 10.915 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.003 2.710 9.168 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.760 1.327 7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.072 2.121 12.014 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.245 0.851 7.752 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.555 1.640 11.912 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.218 1.077 10.669 1.00 0.00 H new ATOM 630 N ILE A 42 -0.649 0.185 7.593 1.00 0.00 N ATOM 631 CA ILE A 42 -1.116 -0.615 6.473 1.00 0.00 C ATOM 632 C ILE A 42 -0.438 -1.987 6.514 1.00 0.00 C ATOM 633 O ILE A 42 -1.110 -3.017 6.477 1.00 0.00 O ATOM 634 CB ILE A 42 -0.909 0.134 5.156 1.00 0.00 C ATOM 635 CG1 ILE A 42 -1.591 1.503 5.190 1.00 0.00 C ATOM 636 CG2 ILE A 42 -1.374 -0.708 3.966 1.00 0.00 C ATOM 637 CD1 ILE A 42 -0.796 2.533 4.384 1.00 0.00 C ATOM 0 H ILE A 42 -0.087 0.995 7.333 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.190 -0.787 6.549 1.00 0.00 H new ATOM 0 HB ILE A 42 0.159 0.309 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.600 1.420 4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.687 1.840 6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.215 -0.151 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.804 -1.637 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.434 -0.937 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.303 3.497 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.205 2.631 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.723 2.205 3.347 1.00 0.00 H new ATOM 649 N LYS A 43 0.885 -1.956 6.590 1.00 0.00 N ATOM 650 CA LYS A 43 1.660 -3.184 6.636 1.00 0.00 C ATOM 651 C LYS A 43 1.255 -3.992 7.871 1.00 0.00 C ATOM 652 O LYS A 43 0.973 -5.184 7.770 1.00 0.00 O ATOM 653 CB LYS A 43 3.158 -2.874 6.567 1.00 0.00 C ATOM 654 CG LYS A 43 3.977 -3.983 7.229 1.00 0.00 C ATOM 655 CD LYS A 43 4.435 -3.565 8.629 1.00 0.00 C ATOM 656 CE LYS A 43 5.594 -2.570 8.552 1.00 0.00 C ATOM 657 NZ LYS A 43 5.660 -1.756 9.786 1.00 0.00 N ATOM 0 H LYS A 43 1.439 -1.100 6.621 1.00 0.00 H new ATOM 0 HA LYS A 43 1.445 -3.804 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.463 -2.763 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.360 -1.923 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.379 -4.892 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.845 -4.216 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.601 -3.117 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.744 -4.445 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.533 -3.106 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.466 -1.920 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.361 -0.998 9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.727 -1.337 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.938 -2.360 10.586 1.00 0.00 H new ATOM 669 N LYS A 44 1.241 -3.309 9.006 1.00 0.00 N ATOM 670 CA LYS A 44 0.876 -3.947 10.259 1.00 0.00 C ATOM 671 C LYS A 44 -0.541 -4.513 10.144 1.00 0.00 C ATOM 672 O LYS A 44 -0.814 -5.617 10.613 1.00 0.00 O ATOM 673 CB LYS A 44 1.058 -2.979 11.428 1.00 0.00 C ATOM 674 CG LYS A 44 0.395 -3.518 12.697 1.00 0.00 C ATOM 675 CD LYS A 44 0.632 -2.580 13.881 1.00 0.00 C ATOM 676 CE LYS A 44 -0.609 -1.730 14.165 1.00 0.00 C ATOM 677 NZ LYS A 44 -0.287 -0.646 15.119 1.00 0.00 N ATOM 0 H LYS A 44 1.477 -2.320 9.084 1.00 0.00 H new ATOM 0 HA LYS A 44 1.540 -4.786 10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.121 -2.818 11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.628 -2.010 11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.676 -3.635 12.530 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.792 -4.507 12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.888 -3.163 14.766 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.482 -1.930 13.670 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.986 -1.304 13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.402 -2.358 14.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.140 -0.079 15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.051 -1.058 16.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.454 -0.038 14.716 1.00 0.00 H new ATOM 689 N GLU A 45 -1.407 -3.730 9.516 1.00 0.00 N ATOM 690 CA GLU A 45 -2.791 -4.138 9.334 1.00 0.00 C ATOM 691 C GLU A 45 -2.853 -5.502 8.644 1.00 0.00 C ATOM 692 O GLU A 45 -3.509 -6.420 9.135 1.00 0.00 O ATOM 693 CB GLU A 45 -3.572 -3.087 8.544 1.00 0.00 C ATOM 694 CG GLU A 45 -5.016 -3.538 8.314 1.00 0.00 C ATOM 695 CD GLU A 45 -5.088 -4.615 7.229 1.00 0.00 C ATOM 696 OE1 GLU A 45 -4.365 -4.534 6.225 1.00 0.00 O ATOM 697 OE2 GLU A 45 -5.933 -5.562 7.457 1.00 0.00 O ATOM 0 H GLU A 45 -1.177 -2.816 9.127 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.257 -4.227 10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.564 -2.140 9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.085 -2.911 7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.432 -3.925 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.626 -2.683 8.023 1.00 0.00 H new ATOM 705 N PHE A 46 -2.164 -5.593 7.517 1.00 0.00 N ATOM 706 CA PHE A 46 -2.133 -6.831 6.755 1.00 0.00 C ATOM 707 C PHE A 46 -1.264 -7.880 7.448 1.00 0.00 C ATOM 708 O PHE A 46 -1.767 -8.908 7.900 1.00 0.00 O ATOM 709 CB PHE A 46 -1.524 -6.500 5.390 1.00 0.00 C ATOM 710 CG PHE A 46 -2.552 -6.366 4.265 1.00 0.00 C ATOM 711 CD1 PHE A 46 -3.605 -7.223 4.200 1.00 0.00 C ATOM 712 CD2 PHE A 46 -2.411 -5.388 3.329 1.00 0.00 C ATOM 713 CE1 PHE A 46 -4.559 -7.097 3.156 1.00 0.00 C ATOM 714 CE2 PHE A 46 -3.365 -5.262 2.286 1.00 0.00 C ATOM 715 CZ PHE A 46 -4.419 -6.121 2.222 1.00 0.00 C ATOM 0 H PHE A 46 -1.622 -4.830 7.112 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.140 -7.237 6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.965 -5.568 5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.809 -7.279 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.716 -8.000 4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.573 -4.708 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.396 -7.777 3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.255 -4.485 1.544 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.145 -6.026 1.428 1.00 0.00 H new ATOM 725 N ASP A 47 0.027 -7.587 7.512 1.00 0.00 N ATOM 726 CA ASP A 47 0.970 -8.492 8.143 1.00 0.00 C ATOM 727 C ASP A 47 0.309 -9.146 9.359 1.00 0.00 C ATOM 728 O ASP A 47 0.605 -10.293 9.688 1.00 0.00 O ATOM 729 CB ASP A 47 2.214 -7.743 8.627 1.00 0.00 C ATOM 730 CG ASP A 47 2.222 -7.401 10.119 1.00 0.00 C ATOM 731 OD1 ASP A 47 1.231 -6.891 10.663 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.319 -7.681 10.736 1.00 0.00 O ATOM 0 H ASP A 47 0.441 -6.734 7.136 1.00 0.00 H new ATOM 0 HA ASP A 47 1.263 -9.240 7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.093 -8.347 8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.308 -6.819 8.057 1.00 0.00 H new ATOM 738 N LYS A 48 -0.573 -8.387 9.992 1.00 0.00 N ATOM 739 CA LYS A 48 -1.280 -8.878 11.163 1.00 0.00 C ATOM 740 C LYS A 48 -1.579 -10.368 10.985 1.00 0.00 C ATOM 741 O LYS A 48 -0.867 -11.215 11.520 1.00 0.00 O ATOM 742 CB LYS A 48 -2.522 -8.028 11.434 1.00 0.00 C ATOM 743 CG LYS A 48 -3.275 -8.537 12.666 1.00 0.00 C ATOM 744 CD LYS A 48 -3.058 -7.605 13.862 1.00 0.00 C ATOM 745 CE LYS A 48 -2.197 -8.280 14.932 1.00 0.00 C ATOM 746 NZ LYS A 48 -2.887 -8.262 16.241 1.00 0.00 N ATOM 0 H LYS A 48 -0.814 -7.435 9.716 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.658 -8.782 12.053 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.230 -6.989 11.585 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.180 -8.051 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.340 -8.608 12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.934 -9.542 12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.576 -6.686 13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.021 -7.324 14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.985 -9.309 14.641 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.239 -7.767 15.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.289 -8.724 16.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.068 -7.278 16.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.790 -8.771 16.164 1.00 0.00 H new ATOM 758 N LYS A 49 -2.633 -10.641 10.232 1.00 0.00 N ATOM 759 CA LYS A 49 -3.037 -12.013 9.976 1.00 0.00 C ATOM 760 C LYS A 49 -3.309 -12.192 8.482 1.00 0.00 C ATOM 761 O LYS A 49 -4.448 -12.419 8.077 1.00 0.00 O ATOM 762 CB LYS A 49 -4.220 -12.399 10.867 1.00 0.00 C ATOM 763 CG LYS A 49 -3.741 -13.117 12.131 1.00 0.00 C ATOM 764 CD LYS A 49 -4.868 -13.950 12.747 1.00 0.00 C ATOM 765 CE LYS A 49 -4.416 -14.599 14.057 1.00 0.00 C ATOM 766 NZ LYS A 49 -5.392 -15.623 14.491 1.00 0.00 N ATOM 0 H LYS A 49 -3.221 -9.934 9.790 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.233 -12.700 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.780 -11.505 11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.902 -13.045 10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.897 -13.763 11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.386 -12.386 12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.735 -13.316 12.931 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.181 -14.722 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.435 -15.056 13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.311 -13.838 14.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.070 -16.054 15.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.320 -15.178 14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.472 -16.358 13.760 1.00 0.00 H new ATOM 778 N TYR A 50 -2.244 -12.080 7.700 1.00 0.00 N ATOM 779 CA TYR A 50 -2.354 -12.226 6.260 1.00 0.00 C ATOM 780 C TYR A 50 -1.180 -13.030 5.697 1.00 0.00 C ATOM 781 O TYR A 50 -1.357 -14.157 5.239 1.00 0.00 O ATOM 782 CB TYR A 50 -2.307 -10.807 5.687 1.00 0.00 C ATOM 783 CG TYR A 50 -3.001 -10.659 4.333 1.00 0.00 C ATOM 784 CD1 TYR A 50 -4.241 -11.225 4.127 1.00 0.00 C ATOM 785 CD2 TYR A 50 -2.385 -9.959 3.314 1.00 0.00 C ATOM 786 CE1 TYR A 50 -4.896 -11.085 2.852 1.00 0.00 C ATOM 787 CE2 TYR A 50 -3.038 -9.819 2.039 1.00 0.00 C ATOM 788 CZ TYR A 50 -4.262 -10.389 1.870 1.00 0.00 C ATOM 789 OH TYR A 50 -4.879 -10.257 0.665 1.00 0.00 O ATOM 0 H TYR A 50 -1.301 -11.890 8.038 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.271 -12.753 5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.771 -10.124 6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.266 -10.502 5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.722 -11.774 4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.413 -9.517 3.474 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.868 -11.523 2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.567 -9.274 1.234 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.608 -9.412 0.249 1.00 0.00 H new ATOM 799 N ASN A 51 -0.007 -12.418 5.753 1.00 0.00 N ATOM 800 CA ASN A 51 1.198 -13.063 5.256 1.00 0.00 C ATOM 801 C ASN A 51 2.406 -12.167 5.540 1.00 0.00 C ATOM 802 O ASN A 51 2.955 -11.553 4.626 1.00 0.00 O ATOM 803 CB ASN A 51 1.119 -13.286 3.744 1.00 0.00 C ATOM 804 CG ASN A 51 0.679 -14.716 3.423 1.00 0.00 C ATOM 805 OD1 ASN A 51 -0.327 -14.954 2.776 1.00 0.00 O ATOM 806 ND2 ASN A 51 1.488 -15.653 3.911 1.00 0.00 N ATOM 0 H ASN A 51 0.136 -11.483 6.135 1.00 0.00 H new ATOM 0 HA ASN A 51 1.297 -14.025 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.416 -12.578 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.092 -13.091 3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.281 -16.639 3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.315 -15.385 4.445 1.00 0.00 H new ATOM 813 N PRO A 52 2.792 -12.119 6.842 1.00 0.00 N ATOM 814 CA PRO A 52 3.924 -11.309 7.257 1.00 0.00 C ATOM 815 C PRO A 52 5.246 -11.964 6.852 1.00 0.00 C ATOM 816 O PRO A 52 5.293 -13.166 6.594 1.00 0.00 O ATOM 817 CB PRO A 52 3.770 -11.159 8.761 1.00 0.00 C ATOM 818 CG PRO A 52 2.828 -12.271 9.196 1.00 0.00 C ATOM 819 CD PRO A 52 2.164 -12.833 7.950 1.00 0.00 C ATOM 0 HA PRO A 52 3.942 -10.332 6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.734 -11.245 9.263 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.364 -10.180 9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.377 -13.052 9.722 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.078 -11.887 9.888 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.321 -13.908 7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.087 -12.669 7.967 1.00 0.00 H new ATOM 827 N THR A 53 6.287 -11.147 6.811 1.00 0.00 N ATOM 828 CA THR A 53 6.145 -9.737 7.132 1.00 0.00 C ATOM 829 C THR A 53 6.052 -8.905 5.852 1.00 0.00 C ATOM 830 O THR A 53 6.488 -9.346 4.789 1.00 0.00 O ATOM 831 CB THR A 53 7.315 -9.337 8.033 1.00 0.00 C ATOM 832 OG1 THR A 53 7.189 -7.923 8.158 1.00 0.00 O ATOM 833 CG2 THR A 53 8.671 -9.532 7.354 1.00 0.00 C ATOM 0 H THR A 53 7.233 -11.434 6.560 1.00 0.00 H new ATOM 0 HA THR A 53 5.219 -9.546 7.674 1.00 0.00 H new ATOM 0 HB THR A 53 7.282 -9.923 8.951 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.908 -7.580 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.466 -9.233 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.797 -10.581 7.087 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.718 -8.921 6.453 1.00 0.00 H new ATOM 841 N TRP A 54 5.484 -7.717 5.996 1.00 0.00 N ATOM 842 CA TRP A 54 5.329 -6.819 4.863 1.00 0.00 C ATOM 843 C TRP A 54 6.255 -5.621 5.079 1.00 0.00 C ATOM 844 O TRP A 54 6.848 -5.476 6.148 1.00 0.00 O ATOM 845 CB TRP A 54 3.865 -6.417 4.679 1.00 0.00 C ATOM 846 CG TRP A 54 2.915 -7.600 4.482 1.00 0.00 C ATOM 847 CD1 TRP A 54 2.502 -8.488 5.397 1.00 0.00 C ATOM 848 CD2 TRP A 54 2.271 -7.989 3.249 1.00 0.00 C ATOM 849 NE1 TRP A 54 1.642 -9.417 4.846 1.00 0.00 N ATOM 850 CE2 TRP A 54 1.498 -9.106 3.499 1.00 0.00 C ATOM 851 CE3 TRP A 54 2.340 -7.418 1.967 1.00 0.00 C ATOM 852 CZ2 TRP A 54 0.736 -9.746 2.515 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.573 -8.070 0.994 1.00 0.00 C ATOM 854 CH2 TRP A 54 0.789 -9.193 1.230 1.00 0.00 C ATOM 0 H TRP A 54 5.125 -7.355 6.880 1.00 0.00 H new ATOM 0 HA TRP A 54 5.613 -7.316 3.935 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.543 -5.847 5.551 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.786 -5.754 3.818 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.804 -8.478 6.434 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.194 -10.190 5.338 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.938 -6.545 1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.140 -10.619 2.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.592 -7.673 -0.010 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.223 -9.637 0.425 1.00 0.00 H new ATOM 865 N HIS A 55 6.351 -4.793 4.051 1.00 0.00 N ATOM 866 CA HIS A 55 7.195 -3.612 4.114 1.00 0.00 C ATOM 867 C HIS A 55 6.494 -2.442 3.423 1.00 0.00 C ATOM 868 O HIS A 55 6.305 -2.457 2.208 1.00 0.00 O ATOM 869 CB HIS A 55 8.580 -3.901 3.531 1.00 0.00 C ATOM 870 CG HIS A 55 9.320 -5.016 4.229 1.00 0.00 C ATOM 871 ND1 HIS A 55 10.493 -4.812 4.934 1.00 0.00 N ATOM 872 CD2 HIS A 55 9.041 -6.349 4.326 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.894 -5.974 5.426 1.00 0.00 C ATOM 874 NE2 HIS A 55 9.993 -6.926 5.048 1.00 0.00 N ATOM 0 H HIS A 55 5.857 -4.916 3.167 1.00 0.00 H new ATOM 0 HA HIS A 55 7.355 -3.331 5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.473 -4.154 2.476 1.00 0.00 H new ATOM 0 HB3 HIS A 55 9.181 -2.993 3.581 1.00 0.00 H new ATOM 0 HD1 HIS A 55 10.968 -3.918 5.054 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.189 -6.849 3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.779 -6.139 6.022 1.00 0.00 H new ATOM 882 N CYS A 56 6.127 -1.455 4.229 1.00 0.00 N ATOM 883 CA CYS A 56 5.449 -0.278 3.709 1.00 0.00 C ATOM 884 C CYS A 56 6.463 0.864 3.632 1.00 0.00 C ATOM 885 O CYS A 56 7.219 1.094 4.576 1.00 0.00 O ATOM 886 CB CYS A 56 4.233 0.094 4.558 1.00 0.00 C ATOM 887 SG CYS A 56 2.913 0.783 3.494 1.00 0.00 S ATOM 0 H CYS A 56 6.286 -1.446 5.236 1.00 0.00 H new ATOM 0 HA CYS A 56 5.063 -0.487 2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.864 -0.786 5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.518 0.823 5.316 1.00 0.00 H new ATOM 0 HG CYS A 56 3.273 1.954 3.059 1.00 0.00 H new ATOM 893 N ILE A 57 6.449 1.549 2.498 1.00 0.00 N ATOM 894 CA ILE A 57 7.359 2.663 2.286 1.00 0.00 C ATOM 895 C ILE A 57 6.590 3.833 1.670 1.00 0.00 C ATOM 896 O ILE A 57 5.480 3.657 1.169 1.00 0.00 O ATOM 897 CB ILE A 57 8.566 2.218 1.458 1.00 0.00 C ATOM 898 CG1 ILE A 57 9.402 1.188 2.220 1.00 0.00 C ATOM 899 CG2 ILE A 57 9.402 3.421 1.016 1.00 0.00 C ATOM 900 CD1 ILE A 57 10.012 1.801 3.482 1.00 0.00 C ATOM 0 H ILE A 57 5.823 1.355 1.717 1.00 0.00 H new ATOM 0 HA ILE A 57 7.763 3.011 3.236 1.00 0.00 H new ATOM 0 HB ILE A 57 8.200 1.732 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.778 0.336 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.195 0.810 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.254 3.076 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.789 4.087 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.760 3.958 1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.601 1.047 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.655 2.637 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.215 2.156 4.136 1.00 0.00 H new ATOM 912 N VAL A 58 7.209 5.003 1.728 1.00 0.00 N ATOM 913 CA VAL A 58 6.596 6.203 1.183 1.00 0.00 C ATOM 914 C VAL A 58 7.641 6.986 0.386 1.00 0.00 C ATOM 915 O VAL A 58 8.377 7.795 0.948 1.00 0.00 O ATOM 916 CB VAL A 58 5.963 7.025 2.308 1.00 0.00 C ATOM 917 CG1 VAL A 58 6.913 7.147 3.500 1.00 0.00 C ATOM 918 CG2 VAL A 58 5.534 8.403 1.804 1.00 0.00 C ATOM 0 H VAL A 58 8.129 5.146 2.144 1.00 0.00 H new ATOM 0 HA VAL A 58 5.790 5.943 0.496 1.00 0.00 H new ATOM 0 HB VAL A 58 5.070 6.499 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.438 7.736 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.146 6.153 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.833 7.639 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.087 8.967 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.404 8.939 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.804 8.286 1.003 1.00 0.00 H new ATOM 928 N GLY A 59 7.671 6.718 -0.911 1.00 0.00 N ATOM 929 CA GLY A 59 8.614 7.387 -1.791 1.00 0.00 C ATOM 930 C GLY A 59 7.970 8.602 -2.461 1.00 0.00 C ATOM 931 O GLY A 59 7.786 9.642 -1.828 1.00 0.00 O ATOM 0 H GLY A 59 7.058 6.047 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.488 7.702 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.964 6.690 -2.552 1.00 0.00 H new ATOM 935 N ARG A 60 7.644 8.433 -3.735 1.00 0.00 N ATOM 936 CA ARG A 60 7.024 9.502 -4.497 1.00 0.00 C ATOM 937 C ARG A 60 6.217 8.925 -5.662 1.00 0.00 C ATOM 938 O ARG A 60 5.096 9.361 -5.922 1.00 0.00 O ATOM 939 CB ARG A 60 8.076 10.469 -5.046 1.00 0.00 C ATOM 940 CG ARG A 60 9.201 9.711 -5.753 1.00 0.00 C ATOM 941 CD ARG A 60 10.557 10.367 -5.484 1.00 0.00 C ATOM 942 NE ARG A 60 11.454 10.171 -6.644 1.00 0.00 N ATOM 943 CZ ARG A 60 11.452 10.955 -7.743 1.00 0.00 C ATOM 944 NH1 ARG A 60 10.600 11.996 -7.841 1.00 0.00 N ATOM 945 NH2 ARG A 60 12.298 10.688 -8.721 1.00 0.00 N ATOM 0 H ARG A 60 7.798 7.571 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 60 6.361 10.046 -3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.608 11.165 -5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.489 11.063 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.219 8.677 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.011 9.688 -6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.423 11.432 -5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.007 9.937 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 60 12.115 9.395 -6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.950 12.196 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.606 12.583 -8.675 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.940 9.899 -8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.310 11.270 -9.558 1.00 0.00 H new ATOM 958 N ASN A 61 6.817 7.951 -6.332 1.00 0.00 N ATOM 959 CA ASN A 61 6.167 7.310 -7.461 1.00 0.00 C ATOM 960 C ASN A 61 6.320 5.793 -7.338 1.00 0.00 C ATOM 961 O ASN A 61 5.345 5.084 -7.095 1.00 0.00 O ATOM 962 CB ASN A 61 6.806 7.743 -8.782 1.00 0.00 C ATOM 963 CG ASN A 61 5.747 7.915 -9.874 1.00 0.00 C ATOM 964 OD1 ASN A 61 5.423 9.014 -10.293 1.00 0.00 O ATOM 965 ND2 ASN A 61 5.226 6.771 -10.307 1.00 0.00 N ATOM 0 H ASN A 61 7.746 7.591 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 61 5.117 7.601 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.343 8.681 -8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.540 7.000 -9.096 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.510 6.779 -11.033 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.543 5.885 -9.913 1.00 0.00 H new ATOM 972 N PHE A 62 7.553 5.337 -7.510 1.00 0.00 N ATOM 973 CA PHE A 62 7.847 3.918 -7.420 1.00 0.00 C ATOM 974 C PHE A 62 9.109 3.670 -6.592 1.00 0.00 C ATOM 975 O PHE A 62 9.515 4.520 -5.803 1.00 0.00 O ATOM 976 CB PHE A 62 8.081 3.419 -8.849 1.00 0.00 C ATOM 977 CG PHE A 62 7.069 2.371 -9.315 1.00 0.00 C ATOM 978 CD1 PHE A 62 7.025 1.152 -8.713 1.00 0.00 C ATOM 979 CD2 PHE A 62 6.214 2.657 -10.332 1.00 0.00 C ATOM 980 CE1 PHE A 62 6.085 0.179 -9.146 1.00 0.00 C ATOM 981 CE2 PHE A 62 5.274 1.684 -10.766 1.00 0.00 C ATOM 982 CZ PHE A 62 5.230 0.465 -10.163 1.00 0.00 C ATOM 0 H PHE A 62 8.360 5.927 -7.711 1.00 0.00 H new ATOM 0 HA PHE A 62 7.021 3.397 -6.937 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.048 4.269 -9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.083 2.996 -8.916 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.705 0.924 -7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.249 3.625 -10.811 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.050 -0.788 -8.667 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.595 1.912 -11.574 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.516 -0.275 -10.492 1.00 0.00 H new ATOM 992 N GLY A 63 9.695 2.500 -6.802 1.00 0.00 N ATOM 993 CA GLY A 63 10.903 2.129 -6.085 1.00 0.00 C ATOM 994 C GLY A 63 10.898 0.638 -5.736 1.00 0.00 C ATOM 995 O GLY A 63 9.849 0.073 -5.432 1.00 0.00 O ATOM 0 H GLY A 63 9.356 1.797 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.777 2.361 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.984 2.719 -5.172 1.00 0.00 H new ATOM 999 N SER A 64 12.082 0.047 -5.793 1.00 0.00 N ATOM 1000 CA SER A 64 12.227 -1.366 -5.487 1.00 0.00 C ATOM 1001 C SER A 64 11.241 -2.186 -6.322 1.00 0.00 C ATOM 1002 O SER A 64 10.079 -2.330 -5.949 1.00 0.00 O ATOM 1003 CB SER A 64 12.012 -1.633 -3.996 1.00 0.00 C ATOM 1004 OG SER A 64 10.862 -0.955 -3.494 1.00 0.00 O ATOM 0 H SER A 64 12.949 0.520 -6.046 1.00 0.00 H new ATOM 0 HA SER A 64 13.244 -1.667 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.902 -2.705 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.893 -1.314 -3.439 1.00 0.00 H new ATOM 0 HG SER A 64 10.170 -0.927 -4.187 1.00 0.00 H new ATOM 1010 N TYR A 65 11.742 -2.701 -7.433 1.00 0.00 N ATOM 1011 CA TYR A 65 10.921 -3.504 -8.324 1.00 0.00 C ATOM 1012 C TYR A 65 11.788 -4.357 -9.252 1.00 0.00 C ATOM 1013 O TYR A 65 11.515 -5.539 -9.448 1.00 0.00 O ATOM 1014 CB TYR A 65 10.117 -2.510 -9.165 1.00 0.00 C ATOM 1015 CG TYR A 65 8.789 -3.064 -9.685 1.00 0.00 C ATOM 1016 CD1 TYR A 65 8.754 -3.781 -10.864 1.00 0.00 C ATOM 1017 CD2 TYR A 65 7.627 -2.849 -8.973 1.00 0.00 C ATOM 1018 CE1 TYR A 65 7.502 -4.302 -11.352 1.00 0.00 C ATOM 1019 CE2 TYR A 65 6.377 -3.371 -9.460 1.00 0.00 C ATOM 1020 CZ TYR A 65 6.376 -4.071 -10.626 1.00 0.00 C ATOM 1021 OH TYR A 65 5.195 -4.564 -11.087 1.00 0.00 O ATOM 0 H TYR A 65 12.708 -2.578 -7.738 1.00 0.00 H new ATOM 0 HA TYR A 65 10.285 -4.181 -7.754 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.918 -1.621 -8.566 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.724 -2.194 -10.013 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.664 -3.951 -11.420 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.655 -2.289 -8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.459 -4.863 -12.274 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.461 -3.210 -8.912 1.00 0.00 H new ATOM 0 HH TYR A 65 4.886 -5.280 -10.494 1.00 0.00 H new ATOM 1031 N VAL A 66 12.815 -3.722 -9.800 1.00 0.00 N ATOM 1032 CA VAL A 66 13.722 -4.407 -10.702 1.00 0.00 C ATOM 1033 C VAL A 66 15.077 -4.588 -10.015 1.00 0.00 C ATOM 1034 O VAL A 66 16.122 -4.383 -10.631 1.00 0.00 O ATOM 1035 CB VAL A 66 13.820 -3.644 -12.025 1.00 0.00 C ATOM 1036 CG1 VAL A 66 14.325 -4.554 -13.147 1.00 0.00 C ATOM 1037 CG2 VAL A 66 12.476 -3.013 -12.394 1.00 0.00 C ATOM 0 H VAL A 66 13.038 -2.740 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 66 13.344 -5.401 -10.942 1.00 0.00 H new ATOM 0 HB VAL A 66 14.544 -2.839 -11.895 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.385 -3.987 -14.076 1.00 0.00 H new ATOM 0 HG12 VAL A 66 15.313 -4.935 -12.890 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.637 -5.389 -13.276 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.573 -2.477 -13.338 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.723 -3.794 -12.496 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.173 -2.318 -11.611 1.00 0.00 H new ATOM 1047 N THR A 67 15.016 -4.971 -8.749 1.00 0.00 N ATOM 1048 CA THR A 67 16.225 -5.184 -7.971 1.00 0.00 C ATOM 1049 C THR A 67 15.958 -6.161 -6.825 1.00 0.00 C ATOM 1050 O THR A 67 16.462 -7.284 -6.833 1.00 0.00 O ATOM 1051 CB THR A 67 16.728 -3.817 -7.499 1.00 0.00 C ATOM 1052 OG1 THR A 67 17.776 -3.499 -8.410 1.00 0.00 O ATOM 1053 CG2 THR A 67 17.426 -3.889 -6.139 1.00 0.00 C ATOM 0 H THR A 67 14.147 -5.140 -8.241 1.00 0.00 H new ATOM 0 HA THR A 67 17.007 -5.646 -8.573 1.00 0.00 H new ATOM 0 HB THR A 67 15.890 -3.122 -7.442 1.00 0.00 H new ATOM 0 HG1 THR A 67 17.490 -3.709 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 67 17.764 -2.894 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.728 -4.267 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.284 -4.558 -6.205 1.00 0.00 H new ATOM 1061 N HIS A 68 15.167 -5.700 -5.869 1.00 0.00 N ATOM 1062 CA HIS A 68 14.828 -6.521 -4.718 1.00 0.00 C ATOM 1063 C HIS A 68 13.387 -7.021 -4.852 1.00 0.00 C ATOM 1064 O HIS A 68 12.591 -6.888 -3.923 1.00 0.00 O ATOM 1065 CB HIS A 68 15.072 -5.757 -3.414 1.00 0.00 C ATOM 1066 CG HIS A 68 16.518 -5.730 -2.982 1.00 0.00 C ATOM 1067 ND1 HIS A 68 17.263 -6.878 -2.780 1.00 0.00 N ATOM 1068 CD2 HIS A 68 17.348 -4.680 -2.716 1.00 0.00 C ATOM 1069 CE1 HIS A 68 18.485 -6.524 -2.408 1.00 0.00 C ATOM 1070 NE2 HIS A 68 18.535 -5.161 -2.370 1.00 0.00 N ATOM 0 H HIS A 68 14.751 -4.769 -5.867 1.00 0.00 H new ATOM 0 HA HIS A 68 15.478 -7.395 -4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.720 -4.732 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.475 -6.209 -2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.083 -3.635 -2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.298 -7.196 -2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.351 -4.604 -2.117 1.00 0.00 H new ATOM 1078 N GLU A 69 13.096 -7.585 -6.015 1.00 0.00 N ATOM 1079 CA GLU A 69 11.765 -8.104 -6.282 1.00 0.00 C ATOM 1080 C GLU A 69 11.189 -8.758 -5.024 1.00 0.00 C ATOM 1081 O GLU A 69 11.934 -9.253 -4.180 1.00 0.00 O ATOM 1082 CB GLU A 69 11.787 -9.091 -7.451 1.00 0.00 C ATOM 1083 CG GLU A 69 12.163 -8.386 -8.756 1.00 0.00 C ATOM 1084 CD GLU A 69 12.364 -9.397 -9.887 1.00 0.00 C ATOM 1085 OE1 GLU A 69 13.164 -10.335 -9.746 1.00 0.00 O ATOM 1086 OE2 GLU A 69 11.651 -9.185 -10.941 1.00 0.00 O ATOM 0 H GLU A 69 13.759 -7.694 -6.783 1.00 0.00 H new ATOM 0 HA GLU A 69 11.120 -7.271 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.501 -9.888 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.808 -9.559 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.380 -7.679 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.077 -7.810 -8.612 1.00 0.00 H new ATOM 1094 N THR A 70 9.866 -8.737 -4.939 1.00 0.00 N ATOM 1095 CA THR A 70 9.181 -9.320 -3.798 1.00 0.00 C ATOM 1096 C THR A 70 8.114 -10.311 -4.268 1.00 0.00 C ATOM 1097 O THR A 70 8.273 -10.957 -5.302 1.00 0.00 O ATOM 1098 CB THR A 70 8.620 -8.179 -2.948 1.00 0.00 C ATOM 1099 OG1 THR A 70 7.624 -7.587 -3.778 1.00 0.00 O ATOM 1100 CG2 THR A 70 9.636 -7.057 -2.729 1.00 0.00 C ATOM 0 H THR A 70 9.251 -8.326 -5.641 1.00 0.00 H new ATOM 0 HA THR A 70 9.866 -9.898 -3.178 1.00 0.00 H new ATOM 0 HB THR A 70 8.298 -8.570 -1.983 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.658 -6.612 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.186 -6.273 -2.120 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.513 -7.455 -2.219 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.933 -6.642 -3.692 1.00 0.00 H new ATOM 1108 N ARG A 71 7.049 -10.401 -3.483 1.00 0.00 N ATOM 1109 CA ARG A 71 5.956 -11.301 -3.805 1.00 0.00 C ATOM 1110 C ARG A 71 4.715 -10.505 -4.213 1.00 0.00 C ATOM 1111 O ARG A 71 4.294 -10.553 -5.368 1.00 0.00 O ATOM 1112 CB ARG A 71 5.611 -12.196 -2.613 1.00 0.00 C ATOM 1113 CG ARG A 71 6.678 -13.273 -2.409 1.00 0.00 C ATOM 1114 CD ARG A 71 6.510 -14.411 -3.417 1.00 0.00 C ATOM 1115 NE ARG A 71 7.813 -15.073 -3.655 1.00 0.00 N ATOM 1116 CZ ARG A 71 8.319 -16.050 -2.874 1.00 0.00 C ATOM 1117 NH1 ARG A 71 7.634 -16.490 -1.797 1.00 0.00 N ATOM 1118 NH2 ARG A 71 9.492 -16.571 -3.180 1.00 0.00 N ATOM 0 H ARG A 71 6.921 -9.865 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 71 6.277 -11.929 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.524 -11.590 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.641 -12.666 -2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.669 -12.832 -2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.612 -13.668 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.787 -15.136 -3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.114 -14.022 -4.355 1.00 0.00 H new ATOM 0 HE ARG A 71 8.362 -14.772 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.727 -16.083 -1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.024 -17.229 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.002 -16.234 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.889 -17.310 -2.600 1.00 0.00 H new ATOM 1131 N HIS A 72 4.164 -9.790 -3.243 1.00 0.00 N ATOM 1132 CA HIS A 72 2.979 -8.986 -3.486 1.00 0.00 C ATOM 1133 C HIS A 72 3.258 -7.532 -3.100 1.00 0.00 C ATOM 1134 O HIS A 72 3.430 -7.221 -1.921 1.00 0.00 O ATOM 1135 CB HIS A 72 1.766 -9.569 -2.760 1.00 0.00 C ATOM 1136 CG HIS A 72 0.816 -10.322 -3.660 1.00 0.00 C ATOM 1137 ND1 HIS A 72 0.416 -11.623 -3.407 1.00 0.00 N ATOM 1138 CD2 HIS A 72 0.189 -9.944 -4.812 1.00 0.00 C ATOM 1139 CE1 HIS A 72 -0.412 -12.001 -4.370 1.00 0.00 C ATOM 1140 NE2 HIS A 72 -0.551 -10.959 -5.240 1.00 0.00 N ATOM 0 H HIS A 72 4.517 -9.751 -2.287 1.00 0.00 H new ATOM 0 HA HIS A 72 2.736 -9.004 -4.548 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.113 -10.239 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.223 -8.759 -2.272 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.709 -12.194 -2.614 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.280 -8.982 -5.294 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.893 -12.965 -4.452 1.00 0.00 H new ATOM 1148 N PHE A 73 3.295 -6.679 -4.112 1.00 0.00 N ATOM 1149 CA PHE A 73 3.549 -5.266 -3.893 1.00 0.00 C ATOM 1150 C PHE A 73 2.429 -4.408 -4.482 1.00 0.00 C ATOM 1151 O PHE A 73 1.665 -4.873 -5.329 1.00 0.00 O ATOM 1152 CB PHE A 73 4.860 -4.932 -4.609 1.00 0.00 C ATOM 1153 CG PHE A 73 4.979 -5.541 -6.007 1.00 0.00 C ATOM 1154 CD1 PHE A 73 4.401 -4.921 -7.069 1.00 0.00 C ATOM 1155 CD2 PHE A 73 5.664 -6.703 -6.187 1.00 0.00 C ATOM 1156 CE1 PHE A 73 4.511 -5.485 -8.368 1.00 0.00 C ATOM 1157 CE2 PHE A 73 5.773 -7.268 -7.485 1.00 0.00 C ATOM 1158 CZ PHE A 73 5.196 -6.648 -8.547 1.00 0.00 C ATOM 0 H PHE A 73 3.153 -6.940 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 73 3.603 -5.060 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.954 -3.849 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.694 -5.281 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.858 -3.999 -6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.124 -7.195 -5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.052 -4.992 -9.212 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.315 -8.191 -7.628 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.281 -7.078 -9.534 1.00 0.00 H new ATOM 1168 N ILE A 74 2.364 -3.171 -4.012 1.00 0.00 N ATOM 1169 CA ILE A 74 1.348 -2.244 -4.481 1.00 0.00 C ATOM 1170 C ILE A 74 1.795 -0.812 -4.185 1.00 0.00 C ATOM 1171 O ILE A 74 1.759 -0.371 -3.038 1.00 0.00 O ATOM 1172 CB ILE A 74 -0.017 -2.598 -3.886 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -0.916 -1.363 -3.804 1.00 0.00 C ATOM 1174 CG2 ILE A 74 0.139 -3.284 -2.528 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -2.351 -1.751 -3.444 1.00 0.00 C ATOM 0 H ILE A 74 2.999 -2.789 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 74 1.229 -2.324 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.506 -3.309 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.524 -0.673 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.906 -0.838 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.845 -3.525 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.716 -4.201 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.657 -2.616 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.968 -0.854 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.748 -2.422 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.360 -2.254 -2.477 1.00 0.00 H new ATOM 1187 N TYR A 75 2.207 -0.123 -5.241 1.00 0.00 N ATOM 1188 CA TYR A 75 2.660 1.250 -5.108 1.00 0.00 C ATOM 1189 C TYR A 75 1.632 2.225 -5.686 1.00 0.00 C ATOM 1190 O TYR A 75 1.516 2.362 -6.903 1.00 0.00 O ATOM 1191 CB TYR A 75 3.952 1.348 -5.924 1.00 0.00 C ATOM 1192 CG TYR A 75 4.990 2.302 -5.332 1.00 0.00 C ATOM 1193 CD1 TYR A 75 4.604 3.545 -4.873 1.00 0.00 C ATOM 1194 CD2 TYR A 75 6.314 1.919 -5.255 1.00 0.00 C ATOM 1195 CE1 TYR A 75 5.581 4.443 -4.315 1.00 0.00 C ATOM 1196 CE2 TYR A 75 7.293 2.817 -4.698 1.00 0.00 C ATOM 1197 CZ TYR A 75 6.878 4.035 -4.255 1.00 0.00 C ATOM 1198 OH TYR A 75 7.801 4.883 -3.729 1.00 0.00 O ATOM 0 H TYR A 75 2.236 -0.491 -6.192 1.00 0.00 H new ATOM 0 HA TYR A 75 2.807 1.506 -4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.393 0.355 -6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.708 1.675 -6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.568 3.844 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.616 0.946 -5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.291 5.418 -3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.332 2.530 -4.633 1.00 0.00 H new ATOM 0 HH TYR A 75 8.583 4.922 -4.318 1.00 0.00 H new ATOM 1208 N PHE A 76 0.914 2.878 -4.784 1.00 0.00 N ATOM 1209 CA PHE A 76 -0.101 3.837 -5.188 1.00 0.00 C ATOM 1210 C PHE A 76 0.020 5.135 -4.388 1.00 0.00 C ATOM 1211 O PHE A 76 0.904 5.265 -3.540 1.00 0.00 O ATOM 1212 CB PHE A 76 -1.461 3.198 -4.898 1.00 0.00 C ATOM 1213 CG PHE A 76 -1.615 2.688 -3.464 1.00 0.00 C ATOM 1214 CD1 PHE A 76 -0.856 1.647 -3.028 1.00 0.00 C ATOM 1215 CD2 PHE A 76 -2.510 3.274 -2.626 1.00 0.00 C ATOM 1216 CE1 PHE A 76 -1.001 1.173 -1.696 1.00 0.00 C ATOM 1217 CE2 PHE A 76 -2.655 2.801 -1.295 1.00 0.00 C ATOM 1218 CZ PHE A 76 -1.896 1.759 -0.858 1.00 0.00 C ATOM 0 H PHE A 76 1.015 2.762 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 76 0.018 4.081 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.245 3.928 -5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.615 2.367 -5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.144 1.181 -3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.112 4.101 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.399 0.346 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.367 3.268 -0.630 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.005 1.398 0.154 1.00 0.00 H new ATOM 1228 N TYR A 77 -0.878 6.063 -4.684 1.00 0.00 N ATOM 1229 CA TYR A 77 -0.882 7.344 -4.000 1.00 0.00 C ATOM 1230 C TYR A 77 -2.031 7.426 -2.993 1.00 0.00 C ATOM 1231 O TYR A 77 -3.168 7.084 -3.313 1.00 0.00 O ATOM 1232 CB TYR A 77 -1.098 8.400 -5.087 1.00 0.00 C ATOM 1233 CG TYR A 77 -0.606 9.796 -4.705 1.00 0.00 C ATOM 1234 CD1 TYR A 77 0.692 9.975 -4.267 1.00 0.00 C ATOM 1235 CD2 TYR A 77 -1.457 10.879 -4.799 1.00 0.00 C ATOM 1236 CE1 TYR A 77 1.155 11.290 -3.908 1.00 0.00 C ATOM 1237 CE2 TYR A 77 -0.993 12.194 -4.440 1.00 0.00 C ATOM 1238 CZ TYR A 77 0.290 12.334 -4.012 1.00 0.00 C ATOM 1239 OH TYR A 77 0.728 13.576 -3.673 1.00 0.00 O ATOM 0 H TYR A 77 -1.608 5.953 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 77 0.049 7.489 -3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.586 8.082 -5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.161 8.452 -5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.359 9.129 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.472 10.740 -5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.167 11.444 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.649 13.049 -4.509 1.00 0.00 H new ATOM 0 HH TYR A 77 1.470 13.499 -3.037 1.00 0.00 H new ATOM 1249 N LEU A 78 -1.694 7.881 -1.796 1.00 0.00 N ATOM 1250 CA LEU A 78 -2.682 8.012 -0.738 1.00 0.00 C ATOM 1251 C LEU A 78 -2.842 9.489 -0.375 1.00 0.00 C ATOM 1252 O LEU A 78 -1.957 10.079 0.244 1.00 0.00 O ATOM 1253 CB LEU A 78 -2.315 7.121 0.451 1.00 0.00 C ATOM 1254 CG LEU A 78 -2.684 5.642 0.321 1.00 0.00 C ATOM 1255 CD1 LEU A 78 -2.316 4.872 1.590 1.00 0.00 C ATOM 1256 CD2 LEU A 78 -4.160 5.474 -0.044 1.00 0.00 C ATOM 0 H LEU A 78 -0.750 8.164 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.656 7.661 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.240 7.193 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.801 7.519 1.342 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.101 5.215 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.589 3.823 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.243 4.950 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.854 5.293 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.395 4.413 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.780 5.921 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.358 5.968 -0.995 1.00 0.00 H new ATOM 1268 N GLY A 79 -3.975 10.044 -0.775 1.00 0.00 N ATOM 1269 CA GLY A 79 -4.263 11.441 -0.499 1.00 0.00 C ATOM 1270 C GLY A 79 -3.346 12.360 -1.311 1.00 0.00 C ATOM 1271 O GLY A 79 -3.662 12.710 -2.448 1.00 0.00 O ATOM 0 H GLY A 79 -4.706 9.552 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.304 11.656 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.134 11.640 0.565 1.00 0.00 H new ATOM 1275 N GLN A 80 -2.231 12.724 -0.696 1.00 0.00 N ATOM 1276 CA GLN A 80 -1.268 13.595 -1.346 1.00 0.00 C ATOM 1277 C GLN A 80 0.152 13.067 -1.136 1.00 0.00 C ATOM 1278 O GLN A 80 1.122 13.810 -1.281 1.00 0.00 O ATOM 1279 CB GLN A 80 -1.399 15.033 -0.841 1.00 0.00 C ATOM 1280 CG GLN A 80 -0.986 15.137 0.629 1.00 0.00 C ATOM 1281 CD GLN A 80 0.329 15.909 0.776 1.00 0.00 C ATOM 1282 OE1 GLN A 80 0.703 16.712 -0.062 1.00 0.00 O ATOM 1283 NE2 GLN A 80 1.003 15.621 1.886 1.00 0.00 N ATOM 0 H GLN A 80 -1.973 12.431 0.246 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.478 13.601 -2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.776 15.693 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.429 15.371 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.771 15.637 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.875 14.138 1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.631 14.938 2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.892 16.084 2.078 1.00 0.00 H new ATOM 1292 N VAL A 81 0.229 11.788 -0.799 1.00 0.00 N ATOM 1293 CA VAL A 81 1.515 11.152 -0.567 1.00 0.00 C ATOM 1294 C VAL A 81 1.554 9.809 -1.300 1.00 0.00 C ATOM 1295 O VAL A 81 0.533 9.344 -1.806 1.00 0.00 O ATOM 1296 CB VAL A 81 1.771 11.020 0.936 1.00 0.00 C ATOM 1297 CG1 VAL A 81 2.046 12.386 1.566 1.00 0.00 C ATOM 1298 CG2 VAL A 81 0.601 10.321 1.631 1.00 0.00 C ATOM 0 H VAL A 81 -0.578 11.175 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 81 2.322 11.765 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 81 2.659 10.403 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.225 12.265 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.925 12.832 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.185 13.037 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.808 10.240 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.310 10.900 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.470 9.324 1.210 1.00 0.00 H new ATOM 1308 N ALA A 82 2.742 9.225 -1.334 1.00 0.00 N ATOM 1309 CA ALA A 82 2.928 7.944 -1.997 1.00 0.00 C ATOM 1310 C ALA A 82 2.904 6.827 -0.951 1.00 0.00 C ATOM 1311 O ALA A 82 3.058 7.083 0.241 1.00 0.00 O ATOM 1312 CB ALA A 82 4.232 7.968 -2.796 1.00 0.00 C ATOM 0 H ALA A 82 3.586 9.614 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 82 2.118 7.754 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.372 7.008 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.186 8.760 -3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.068 8.153 -2.122 1.00 0.00 H new ATOM 1318 N ILE A 83 2.710 5.610 -1.439 1.00 0.00 N ATOM 1319 CA ILE A 83 2.663 4.451 -0.563 1.00 0.00 C ATOM 1320 C ILE A 83 3.054 3.202 -1.356 1.00 0.00 C ATOM 1321 O ILE A 83 2.467 2.916 -2.398 1.00 0.00 O ATOM 1322 CB ILE A 83 1.296 4.346 0.114 1.00 0.00 C ATOM 1323 CG1 ILE A 83 1.332 3.344 1.270 1.00 0.00 C ATOM 1324 CG2 ILE A 83 0.204 4.011 -0.902 1.00 0.00 C ATOM 1325 CD1 ILE A 83 1.587 4.053 2.602 1.00 0.00 C ATOM 0 H ILE A 83 2.584 5.402 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 83 3.386 4.555 0.246 1.00 0.00 H new ATOM 0 HB ILE A 83 1.050 5.319 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.387 2.803 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.113 2.605 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.758 3.942 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.159 4.794 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.431 3.058 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.608 3.318 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.544 4.573 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.791 4.774 2.789 1.00 0.00 H new ATOM 1337 N LEU A 84 4.041 2.491 -0.830 1.00 0.00 N ATOM 1338 CA LEU A 84 4.517 1.281 -1.477 1.00 0.00 C ATOM 1339 C LEU A 84 4.526 0.137 -0.460 1.00 0.00 C ATOM 1340 O LEU A 84 5.350 0.118 0.453 1.00 0.00 O ATOM 1341 CB LEU A 84 5.874 1.523 -2.139 1.00 0.00 C ATOM 1342 CG LEU A 84 6.635 0.274 -2.587 1.00 0.00 C ATOM 1343 CD1 LEU A 84 5.884 -0.455 -3.703 1.00 0.00 C ATOM 1344 CD2 LEU A 84 8.069 0.622 -2.994 1.00 0.00 C ATOM 0 H LEU A 84 4.523 2.730 0.036 1.00 0.00 H new ATOM 0 HA LEU A 84 3.843 0.990 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.723 2.163 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.503 2.076 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 84 6.697 -0.410 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.447 -1.339 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.900 -0.756 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.769 0.210 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.588 -0.284 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.050 1.334 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.591 1.063 -2.145 1.00 0.00 H new ATOM 1356 N LEU A 85 3.599 -0.791 -0.652 1.00 0.00 N ATOM 1357 CA LEU A 85 3.489 -1.936 0.235 1.00 0.00 C ATOM 1358 C LEU A 85 3.901 -3.202 -0.518 1.00 0.00 C ATOM 1359 O LEU A 85 3.316 -3.532 -1.549 1.00 0.00 O ATOM 1360 CB LEU A 85 2.087 -2.010 0.845 1.00 0.00 C ATOM 1361 CG LEU A 85 1.945 -2.876 2.098 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.665 -2.015 3.331 1.00 0.00 C ATOM 1363 CD2 LEU A 85 0.880 -3.956 1.899 1.00 0.00 C ATOM 0 H LEU A 85 2.917 -0.772 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 85 4.172 -1.831 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.765 -0.998 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.402 -2.389 0.086 1.00 0.00 H new ATOM 0 HG LEU A 85 2.893 -3.386 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.568 -2.655 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.488 -1.316 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.739 -1.459 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.799 -4.558 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.080 -3.485 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.162 -4.595 1.062 1.00 0.00 H new ATOM 1375 N PHE A 86 4.903 -3.877 0.026 1.00 0.00 N ATOM 1376 CA PHE A 86 5.399 -5.099 -0.583 1.00 0.00 C ATOM 1377 C PHE A 86 5.779 -6.128 0.485 1.00 0.00 C ATOM 1378 O PHE A 86 6.342 -5.774 1.520 1.00 0.00 O ATOM 1379 CB PHE A 86 6.648 -4.727 -1.382 1.00 0.00 C ATOM 1380 CG PHE A 86 7.746 -4.064 -0.548 1.00 0.00 C ATOM 1381 CD1 PHE A 86 7.561 -2.812 -0.050 1.00 0.00 C ATOM 1382 CD2 PHE A 86 8.909 -4.727 -0.306 1.00 0.00 C ATOM 1383 CE1 PHE A 86 8.580 -2.198 0.724 1.00 0.00 C ATOM 1384 CE2 PHE A 86 9.928 -4.112 0.468 1.00 0.00 C ATOM 1385 CZ PHE A 86 9.743 -2.861 0.968 1.00 0.00 C ATOM 0 H PHE A 86 5.385 -3.601 0.882 1.00 0.00 H new ATOM 0 HA PHE A 86 4.628 -5.538 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.052 -5.627 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.363 -4.053 -2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.638 -2.285 -0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.057 -5.721 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.432 -1.204 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.851 -4.638 0.660 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.518 -2.394 1.558 1.00 0.00 H new ATOM 1395 N LYS A 87 5.457 -7.380 0.195 1.00 0.00 N ATOM 1396 CA LYS A 87 5.759 -8.462 1.117 1.00 0.00 C ATOM 1397 C LYS A 87 7.114 -9.071 0.756 1.00 0.00 C ATOM 1398 O LYS A 87 7.241 -9.750 -0.263 1.00 0.00 O ATOM 1399 CB LYS A 87 4.614 -9.477 1.144 1.00 0.00 C ATOM 1400 CG LYS A 87 4.371 -9.992 2.564 1.00 0.00 C ATOM 1401 CD LYS A 87 5.400 -11.056 2.947 1.00 0.00 C ATOM 1402 CE LYS A 87 5.057 -12.404 2.312 1.00 0.00 C ATOM 1403 NZ LYS A 87 6.190 -12.896 1.495 1.00 0.00 N ATOM 0 H LYS A 87 4.990 -7.669 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 87 5.842 -8.083 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.704 -9.015 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.849 -10.313 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.422 -9.162 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.367 -10.410 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.392 -10.740 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.435 -11.159 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.820 -13.129 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.168 -12.303 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.940 -13.812 1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.398 -12.211 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.029 -13.011 2.099 1.00 0.00 H new ATOM 1415 N SER A 88 8.092 -8.810 1.610 1.00 0.00 N ATOM 1416 CA SER A 88 9.434 -9.325 1.393 1.00 0.00 C ATOM 1417 C SER A 88 9.915 -10.073 2.637 1.00 0.00 C ATOM 1418 O SER A 88 9.672 -9.636 3.761 1.00 0.00 O ATOM 1419 CB SER A 88 10.406 -8.197 1.042 1.00 0.00 C ATOM 1420 OG SER A 88 11.645 -8.696 0.544 1.00 0.00 O ATOM 0 H SER A 88 7.982 -8.248 2.454 1.00 0.00 H new ATOM 0 HA SER A 88 9.403 -10.017 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.951 -7.546 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.590 -7.588 1.927 1.00 0.00 H new ATOM 0 HG SER A 88 12.238 -7.945 0.330 1.00 0.00 H new ATOM 1426 N GLY A 89 10.587 -11.188 2.395 1.00 0.00 N ATOM 1427 CA GLY A 89 11.104 -12.002 3.483 1.00 0.00 C ATOM 1428 C GLY A 89 12.138 -11.228 4.302 1.00 0.00 C ATOM 1429 O GLY A 89 12.179 -11.345 5.526 1.00 0.00 O ATOM 0 H GLY A 89 10.786 -11.548 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.284 -12.316 4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.557 -12.908 3.081 1.00 0.00 H new TER 1433 GLY A 89