USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 753 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 79 GLN : amide:sc= -0.249 X(o=-0.99,f=-0.75) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -150:sc= -0.745 (180deg=-2.17!) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -168:sc= 0.21 (180deg=0.158) USER MOD Set 2.2: A 5 SER OG : rot -110:sc= -2.62! USER MOD Set 2.3: A 41 SER OG : rot 112:sc= 0.233 USER MOD Set 2.4: A 47 TYR OH : rot 180:sc= -4.76! USER MOD Single : A 1 MET CE :methyl -128:sc= -8.4! (180deg=-13.9!) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.51 (180deg=1.88) USER MOD Single : A 6 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 9 TYR OH : rot 87:sc= -0.234 USER MOD Single : A 11 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.2!) USER MOD Single : A 13 SER OG : rot 95:sc= 0.00356 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0.811 (180deg=0.694) USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0434) USER MOD Single : A 24 ASN : amide:sc= -2! C(o=-2!,f=-8.1!) USER MOD Single : A 28 SER OG : rot -73:sc= 0.391 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 34 CYS SG : rot 90:sc= -0.414 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 61:sc= 1.05 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.768 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 165:sc= -1.57! USER MOD Single : A 55 SER OG : rot 59:sc= 0.234 USER MOD Single : A 71 SER OG : rot 180:sc= -0.497 USER MOD Single : A 72 SER OG : rot 95:sc= 0.338 USER MOD Single : A 73 MET CE :methyl 177:sc= -12.9! (180deg=-13.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 141:sc= 0.226 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.9!) USER MOD Single : A 88 ASN : amide:sc= -3.17! C(o=-3.2!,f=-8!) USER MOD Single : A 91 THR OG1 : rot 140:sc= -0.435 USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= -3.1! (180deg=-4.71!) USER MOD Single : A 96 LYS NZ :NH3+ 159:sc= -3.26 (180deg=-4.39!) USER MOD Single : A 97 TYR OH : rot 30:sc= -2.41! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.104 4.544 13.775 1.00 0.00 N ATOM 2 CA MET A 1 4.945 4.988 12.363 1.00 0.00 C ATOM 3 C MET A 1 4.535 6.452 12.279 1.00 0.00 C ATOM 4 O MET A 1 3.657 6.901 13.015 1.00 0.00 O ATOM 5 CB MET A 1 3.898 4.107 11.678 1.00 0.00 C ATOM 6 CG MET A 1 2.481 4.444 12.057 1.00 0.00 C ATOM 7 SD MET A 1 2.119 4.043 13.778 1.00 0.00 S ATOM 8 CE MET A 1 0.805 2.852 13.571 1.00 0.00 C ATOM 0 H1 MET A 1 5.692 3.687 13.805 1.00 0.00 H new ATOM 0 H2 MET A 1 5.562 5.298 14.326 1.00 0.00 H new ATOM 0 H3 MET A 1 4.169 4.337 14.181 1.00 0.00 H new ATOM 0 HA MET A 1 5.906 4.889 11.857 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.008 4.201 10.598 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.093 3.064 11.929 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.305 5.507 11.889 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.795 3.901 11.408 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.050 3.144 14.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.508 2.817 12.523 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.154 1.867 13.882 1.00 0.00 H new ATOM 20 N ASP A 2 5.159 7.194 11.367 1.00 0.00 N ATOM 21 CA ASP A 2 4.828 8.600 11.185 1.00 0.00 C ATOM 22 C ASP A 2 3.324 8.747 10.981 1.00 0.00 C ATOM 23 O ASP A 2 2.615 7.750 10.887 1.00 0.00 O ATOM 24 CB ASP A 2 5.587 9.185 9.994 1.00 0.00 C ATOM 25 CG ASP A 2 7.065 9.367 10.283 1.00 0.00 C ATOM 26 OD1 ASP A 2 7.640 8.515 10.992 1.00 0.00 O ATOM 27 OD2 ASP A 2 7.646 10.361 9.798 1.00 0.00 O ATOM 0 H ASP A 2 5.891 6.846 10.748 1.00 0.00 H new ATOM 0 HA ASP A 2 5.125 9.151 12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.466 8.529 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.151 10.147 9.726 1.00 0.00 H new ATOM 32 N ILE A 3 2.840 9.979 10.936 1.00 0.00 N ATOM 33 CA ILE A 3 1.411 10.227 10.772 1.00 0.00 C ATOM 34 C ILE A 3 0.928 9.836 9.390 1.00 0.00 C ATOM 35 O ILE A 3 0.044 8.991 9.246 1.00 0.00 O ATOM 36 CB ILE A 3 1.071 11.700 11.065 1.00 0.00 C ATOM 37 CG1 ILE A 3 1.129 11.955 12.577 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.301 12.064 10.510 1.00 0.00 C ATOM 39 CD1 ILE A 3 1.889 10.888 13.346 1.00 0.00 C ATOM 0 H ILE A 3 3.411 10.821 11.010 1.00 0.00 H new ATOM 0 HA ILE A 3 0.890 9.600 11.495 1.00 0.00 H new ATOM 0 HB ILE A 3 1.808 12.333 10.570 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.598 12.923 12.756 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.113 12.016 12.966 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.517 13.109 10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.309 11.911 9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.060 11.432 10.971 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.888 11.135 14.408 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.408 9.921 13.198 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.916 10.842 12.985 1.00 0.00 H new ATOM 51 N LYS A 4 1.519 10.445 8.383 1.00 0.00 N ATOM 52 CA LYS A 4 1.158 10.151 7.000 1.00 0.00 C ATOM 53 C LYS A 4 1.071 8.644 6.801 1.00 0.00 C ATOM 54 O LYS A 4 0.209 8.142 6.083 1.00 0.00 O ATOM 55 CB LYS A 4 2.182 10.734 6.011 1.00 0.00 C ATOM 56 CG LYS A 4 3.446 11.315 6.639 1.00 0.00 C ATOM 57 CD LYS A 4 4.241 10.305 7.459 1.00 0.00 C ATOM 58 CE LYS A 4 4.431 8.979 6.763 1.00 0.00 C ATOM 59 NZ LYS A 4 5.652 8.961 5.911 1.00 0.00 N ATOM 0 H LYS A 4 2.251 11.147 8.490 1.00 0.00 H new ATOM 0 HA LYS A 4 0.191 10.614 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.472 9.950 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.694 11.516 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.084 11.712 5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.171 12.154 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.219 10.727 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.732 10.138 8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.498 8.186 7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.557 8.765 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.637 8.119 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.676 9.817 5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.497 8.934 6.516 1.00 0.00 H new ATOM 73 N SER A 5 1.974 7.941 7.464 1.00 0.00 N ATOM 74 CA SER A 5 2.029 6.487 7.396 1.00 0.00 C ATOM 75 C SER A 5 1.068 5.861 8.395 1.00 0.00 C ATOM 76 O SER A 5 0.547 4.774 8.178 1.00 0.00 O ATOM 77 CB SER A 5 3.444 5.991 7.693 1.00 0.00 C ATOM 78 OG SER A 5 4.331 6.311 6.639 1.00 0.00 O ATOM 0 H SER A 5 2.687 8.358 8.062 1.00 0.00 H new ATOM 0 HA SER A 5 1.741 6.192 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.801 6.438 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.429 4.912 7.844 1.00 0.00 H new ATOM 0 HG SER A 5 4.586 5.492 6.166 1.00 0.00 H new ATOM 84 N GLN A 6 0.877 6.550 9.507 1.00 0.00 N ATOM 85 CA GLN A 6 0.023 6.075 10.585 1.00 0.00 C ATOM 86 C GLN A 6 -1.400 5.816 10.165 1.00 0.00 C ATOM 87 O GLN A 6 -2.003 4.842 10.599 1.00 0.00 O ATOM 88 CB GLN A 6 0.025 7.093 11.715 1.00 0.00 C ATOM 89 CG GLN A 6 0.404 6.517 13.051 1.00 0.00 C ATOM 90 CD GLN A 6 -0.109 7.351 14.202 1.00 0.00 C ATOM 91 OE1 GLN A 6 0.649 7.741 15.091 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.405 7.629 14.188 1.00 0.00 N ATOM 0 H GLN A 6 1.310 7.456 9.689 1.00 0.00 H new ATOM 0 HA GLN A 6 0.437 5.119 10.906 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.719 7.896 11.466 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.966 7.540 11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.007 5.505 13.133 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.489 6.440 13.116 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.993 7.283 13.429 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.815 8.189 14.936 1.00 0.00 H new ATOM 101 N THR A 7 -1.957 6.689 9.359 1.00 0.00 N ATOM 102 CA THR A 7 -3.325 6.507 8.945 1.00 0.00 C ATOM 103 C THR A 7 -3.409 5.521 7.811 1.00 0.00 C ATOM 104 O THR A 7 -4.291 4.671 7.800 1.00 0.00 O ATOM 105 CB THR A 7 -4.006 7.820 8.608 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.085 8.897 8.636 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.109 8.115 9.593 1.00 0.00 C ATOM 0 H THR A 7 -1.494 7.517 8.984 1.00 0.00 H new ATOM 0 HA THR A 7 -3.872 6.093 9.792 1.00 0.00 H new ATOM 0 HB THR A 7 -4.418 7.719 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.550 9.731 8.414 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.585 9.061 9.334 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.849 7.316 9.561 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.691 8.182 10.598 1.00 0.00 H new ATOM 115 N LEU A 8 -2.467 5.585 6.881 1.00 0.00 N ATOM 116 CA LEU A 8 -2.467 4.616 5.809 1.00 0.00 C ATOM 117 C LEU A 8 -2.139 3.262 6.417 1.00 0.00 C ATOM 118 O LEU A 8 -2.669 2.234 5.995 1.00 0.00 O ATOM 119 CB LEU A 8 -1.498 4.984 4.678 1.00 0.00 C ATOM 120 CG LEU A 8 -0.099 5.414 5.108 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.796 4.201 5.281 1.00 0.00 C ATOM 122 CD2 LEU A 8 0.496 6.371 4.085 1.00 0.00 C ATOM 0 H LEU A 8 -1.718 6.276 6.850 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.450 4.593 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.404 4.125 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.941 5.791 4.095 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.172 5.930 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.791 4.524 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.376 3.545 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.865 3.662 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.494 6.670 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.558 5.875 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.138 7.254 4.001 1.00 0.00 H new ATOM 134 N TYR A 9 -1.312 3.278 7.470 1.00 0.00 N ATOM 135 CA TYR A 9 -0.990 2.065 8.186 1.00 0.00 C ATOM 136 C TYR A 9 -2.219 1.642 8.978 1.00 0.00 C ATOM 137 O TYR A 9 -2.795 0.584 8.746 1.00 0.00 O ATOM 138 CB TYR A 9 0.204 2.285 9.104 1.00 0.00 C ATOM 139 CG TYR A 9 0.430 1.180 10.107 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.296 -0.010 10.080 1.00 0.00 C ATOM 141 CD2 TYR A 9 1.366 1.349 11.101 1.00 0.00 C ATOM 142 CE1 TYR A 9 -0.079 -0.991 11.027 1.00 0.00 C ATOM 143 CE2 TYR A 9 1.588 0.383 12.046 1.00 0.00 C ATOM 144 CZ TYR A 9 0.865 -0.789 12.011 1.00 0.00 C ATOM 145 OH TYR A 9 1.086 -1.760 12.960 1.00 0.00 O ATOM 0 H TYR A 9 -0.863 4.118 7.833 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.716 1.277 7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.101 2.395 8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.067 3.224 9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.037 -0.166 9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.939 2.264 11.137 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.645 -1.910 10.997 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.328 0.540 12.817 1.00 0.00 H new ATOM 0 HH TYR A 9 1.746 -2.402 12.624 1.00 0.00 H new ATOM 155 N LEU A 10 -2.629 2.491 9.909 1.00 0.00 N ATOM 156 CA LEU A 10 -3.804 2.212 10.722 1.00 0.00 C ATOM 157 C LEU A 10 -4.963 1.823 9.825 1.00 0.00 C ATOM 158 O LEU A 10 -5.764 0.955 10.166 1.00 0.00 O ATOM 159 CB LEU A 10 -4.184 3.427 11.567 1.00 0.00 C ATOM 160 CG LEU A 10 -3.387 3.586 12.859 1.00 0.00 C ATOM 161 CD1 LEU A 10 -3.627 4.959 13.469 1.00 0.00 C ATOM 162 CD2 LEU A 10 -3.759 2.487 13.843 1.00 0.00 C ATOM 0 H LEU A 10 -2.167 3.376 10.120 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.571 1.388 11.396 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.054 4.326 10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.243 3.361 11.816 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.325 3.499 12.628 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.051 5.054 14.389 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.315 5.730 12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.687 5.078 13.691 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.184 2.611 14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.823 2.547 14.070 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.536 1.515 13.404 1.00 0.00 H new ATOM 174 N ASN A 11 -5.020 2.445 8.654 1.00 0.00 N ATOM 175 CA ASN A 11 -6.055 2.132 7.689 1.00 0.00 C ATOM 176 C ASN A 11 -5.874 0.690 7.244 1.00 0.00 C ATOM 177 O ASN A 11 -6.841 -0.045 7.047 1.00 0.00 O ATOM 178 CB ASN A 11 -5.990 3.066 6.479 1.00 0.00 C ATOM 179 CG ASN A 11 -6.751 4.359 6.702 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.698 4.409 7.486 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.338 5.414 6.009 1.00 0.00 N ATOM 0 H ASN A 11 -4.363 3.165 8.355 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.031 2.268 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.948 3.295 6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.397 2.554 5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.811 6.311 6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.548 5.327 5.370 1.00 0.00 H new ATOM 188 N LEU A 12 -4.606 0.289 7.116 1.00 0.00 N ATOM 189 CA LEU A 12 -4.269 -1.070 6.728 1.00 0.00 C ATOM 190 C LEU A 12 -4.848 -2.045 7.738 1.00 0.00 C ATOM 191 O LEU A 12 -5.517 -3.009 7.376 1.00 0.00 O ATOM 192 CB LEU A 12 -2.749 -1.252 6.617 1.00 0.00 C ATOM 193 CG LEU A 12 -2.172 -1.116 5.203 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.662 -1.296 5.223 1.00 0.00 C ATOM 195 CD2 LEU A 12 -2.816 -2.111 4.247 1.00 0.00 C ATOM 0 H LEU A 12 -3.800 0.893 7.277 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.699 -1.269 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.264 -0.518 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.489 -2.237 7.004 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.398 -0.112 4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.270 -1.196 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.213 -0.536 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.419 -2.285 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.386 -1.990 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.633 -3.126 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.890 -1.930 4.203 1.00 0.00 H new ATOM 207 N SER A 13 -4.607 -1.771 9.013 1.00 0.00 N ATOM 208 CA SER A 13 -5.123 -2.611 10.079 1.00 0.00 C ATOM 209 C SER A 13 -6.641 -2.583 10.083 1.00 0.00 C ATOM 210 O SER A 13 -7.299 -3.608 10.268 1.00 0.00 O ATOM 211 CB SER A 13 -4.587 -2.139 11.431 1.00 0.00 C ATOM 212 OG SER A 13 -3.252 -2.570 11.631 1.00 0.00 O ATOM 0 H SER A 13 -4.057 -0.973 9.332 1.00 0.00 H new ATOM 0 HA SER A 13 -4.791 -3.635 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.633 -1.051 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.220 -2.524 12.231 1.00 0.00 H new ATOM 0 HG SER A 13 -2.635 -1.858 11.361 1.00 0.00 H new ATOM 218 N GLU A 14 -7.189 -1.397 9.869 1.00 0.00 N ATOM 219 CA GLU A 14 -8.631 -1.218 9.838 1.00 0.00 C ATOM 220 C GLU A 14 -9.238 -1.944 8.648 1.00 0.00 C ATOM 221 O GLU A 14 -10.343 -2.473 8.720 1.00 0.00 O ATOM 222 CB GLU A 14 -8.993 0.265 9.778 1.00 0.00 C ATOM 223 CG GLU A 14 -8.352 1.095 10.877 1.00 0.00 C ATOM 224 CD GLU A 14 -9.372 1.744 11.792 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.097 2.648 11.325 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.446 1.349 12.974 1.00 0.00 O ATOM 0 H GLU A 14 -6.655 -0.542 9.714 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.039 -1.642 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.691 0.665 8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.076 0.368 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.692 0.460 11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.730 1.869 10.426 1.00 0.00 H new ATOM 233 N ALA A 15 -8.492 -1.972 7.558 1.00 0.00 N ATOM 234 CA ALA A 15 -8.931 -2.647 6.343 1.00 0.00 C ATOM 235 C ALA A 15 -8.759 -4.128 6.481 1.00 0.00 C ATOM 236 O ALA A 15 -9.631 -4.912 6.135 1.00 0.00 O ATOM 237 CB ALA A 15 -8.149 -2.178 5.157 1.00 0.00 C ATOM 0 H ALA A 15 -7.574 -1.533 7.486 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.984 -2.409 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.496 -2.697 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.289 -1.104 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.091 -2.390 5.312 1.00 0.00 H new ATOM 243 N TYR A 16 -7.608 -4.499 6.998 1.00 0.00 N ATOM 244 CA TYR A 16 -7.284 -5.885 7.216 1.00 0.00 C ATOM 245 C TYR A 16 -8.409 -6.539 8.007 1.00 0.00 C ATOM 246 O TYR A 16 -8.670 -7.735 7.875 1.00 0.00 O ATOM 247 CB TYR A 16 -5.955 -5.959 7.951 1.00 0.00 C ATOM 248 CG TYR A 16 -5.924 -7.031 8.979 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.749 -8.333 8.592 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.085 -6.739 10.311 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.727 -9.356 9.502 1.00 0.00 C ATOM 252 CE2 TYR A 16 -6.068 -7.751 11.258 1.00 0.00 C ATOM 253 CZ TYR A 16 -5.888 -9.065 10.846 1.00 0.00 C ATOM 254 OH TYR A 16 -5.868 -10.079 11.775 1.00 0.00 O ATOM 0 H TYR A 16 -6.875 -3.847 7.277 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.185 -6.422 6.273 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.156 -6.130 7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.755 -4.999 8.427 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.625 -8.559 7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.226 -5.715 10.623 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.586 -10.376 9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.193 -7.520 12.306 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.994 -9.704 12.672 1.00 0.00 H new ATOM 264 N LYS A 17 -9.099 -5.724 8.800 1.00 0.00 N ATOM 265 CA LYS A 17 -10.225 -6.191 9.575 1.00 0.00 C ATOM 266 C LYS A 17 -11.500 -6.125 8.727 1.00 0.00 C ATOM 267 O LYS A 17 -12.604 -6.332 9.231 1.00 0.00 O ATOM 268 CB LYS A 17 -10.375 -5.376 10.871 1.00 0.00 C ATOM 269 CG LYS A 17 -11.379 -4.235 10.788 1.00 0.00 C ATOM 270 CD LYS A 17 -10.983 -3.078 11.698 1.00 0.00 C ATOM 271 CE LYS A 17 -11.760 -1.800 11.390 1.00 0.00 C ATOM 272 NZ LYS A 17 -12.488 -1.867 10.090 1.00 0.00 N ATOM 0 H LYS A 17 -8.890 -4.733 8.917 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.052 -7.228 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.674 -6.048 11.675 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.402 -4.967 11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.448 -3.883 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.368 -4.598 11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.154 -3.362 12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.916 -2.885 11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.474 -1.612 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.070 -0.956 11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.065 -1.010 9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.802 -1.934 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.105 -2.704 10.081 1.00 0.00 H new ATOM 286 N ASP A 18 -11.334 -5.851 7.429 1.00 0.00 N ATOM 287 CA ASP A 18 -12.459 -5.784 6.516 1.00 0.00 C ATOM 288 C ASP A 18 -13.063 -7.178 6.372 1.00 0.00 C ATOM 289 O ASP A 18 -12.362 -8.127 6.031 1.00 0.00 O ATOM 290 CB ASP A 18 -12.036 -5.252 5.152 1.00 0.00 C ATOM 291 CG ASP A 18 -13.143 -5.344 4.118 1.00 0.00 C ATOM 292 OD1 ASP A 18 -13.308 -6.426 3.517 1.00 0.00 O ATOM 293 OD2 ASP A 18 -13.845 -4.332 3.911 1.00 0.00 O ATOM 0 H ASP A 18 -10.428 -5.673 6.996 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.200 -5.096 6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.724 -4.212 5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.169 -5.812 4.801 1.00 0.00 H new ATOM 298 N PRO A 19 -14.359 -7.322 6.658 1.00 0.00 N ATOM 299 CA PRO A 19 -15.059 -8.616 6.597 1.00 0.00 C ATOM 300 C PRO A 19 -14.776 -9.437 5.341 1.00 0.00 C ATOM 301 O PRO A 19 -14.835 -10.667 5.384 1.00 0.00 O ATOM 302 CB PRO A 19 -16.520 -8.199 6.664 1.00 0.00 C ATOM 303 CG PRO A 19 -16.486 -6.982 7.514 1.00 0.00 C ATOM 304 CD PRO A 19 -15.255 -6.241 7.098 1.00 0.00 C ATOM 0 HA PRO A 19 -14.734 -9.283 7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.924 -7.988 5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.142 -8.979 7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.379 -6.375 7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.449 -7.242 8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.461 -5.533 6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.827 -5.671 7.923 1.00 0.00 H new ATOM 312 N GLU A 20 -14.456 -8.782 4.229 1.00 0.00 N ATOM 313 CA GLU A 20 -14.161 -9.509 3.004 1.00 0.00 C ATOM 314 C GLU A 20 -12.666 -9.574 2.769 1.00 0.00 C ATOM 315 O GLU A 20 -12.185 -9.934 1.694 1.00 0.00 O ATOM 316 CB GLU A 20 -14.853 -8.858 1.838 1.00 0.00 C ATOM 317 CG GLU A 20 -16.344 -9.097 1.859 1.00 0.00 C ATOM 318 CD GLU A 20 -17.000 -8.857 0.515 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.768 -9.664 -0.411 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.743 -7.861 0.385 1.00 0.00 O ATOM 0 H GLU A 20 -14.395 -7.767 4.153 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.532 -10.529 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.658 -7.786 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.437 -9.245 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.538 -10.122 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.801 -8.444 2.602 1.00 0.00 H new ATOM 327 N VAL A 21 -11.962 -9.293 3.836 1.00 0.00 N ATOM 328 CA VAL A 21 -10.522 -9.365 3.893 1.00 0.00 C ATOM 329 C VAL A 21 -10.195 -10.406 4.953 1.00 0.00 C ATOM 330 O VAL A 21 -9.250 -11.182 4.819 1.00 0.00 O ATOM 331 CB VAL A 21 -9.884 -8.005 4.233 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.397 -8.159 4.529 1.00 0.00 C ATOM 333 CG2 VAL A 21 -10.111 -7.022 3.090 1.00 0.00 C ATOM 0 H VAL A 21 -12.387 -8.999 4.716 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.114 -9.640 2.921 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.361 -7.613 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.970 -7.184 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.262 -8.830 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.893 -8.573 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.657 -6.063 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.658 -7.413 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.181 -6.887 2.934 1.00 0.00 H new ATOM 343 N LYS A 22 -11.059 -10.457 5.979 1.00 0.00 N ATOM 344 CA LYS A 22 -10.953 -11.439 7.033 1.00 0.00 C ATOM 345 C LYS A 22 -11.007 -12.813 6.402 1.00 0.00 C ATOM 346 O LYS A 22 -10.251 -13.718 6.754 1.00 0.00 O ATOM 347 CB LYS A 22 -12.132 -11.308 8.005 1.00 0.00 C ATOM 348 CG LYS A 22 -12.486 -9.890 8.387 1.00 0.00 C ATOM 349 CD LYS A 22 -11.295 -9.124 8.934 1.00 0.00 C ATOM 350 CE LYS A 22 -10.461 -9.962 9.896 1.00 0.00 C ATOM 351 NZ LYS A 22 -11.245 -10.371 11.094 1.00 0.00 N ATOM 0 H LYS A 22 -11.843 -9.814 6.088 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.021 -11.287 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.008 -11.778 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.900 -11.866 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.880 -9.369 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.279 -9.905 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.668 -8.793 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.646 -8.228 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.094 -10.850 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.587 -9.392 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.656 -10.272 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.085 -9.765 11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.542 -11.362 10.992 1.00 0.00 H new ATOM 365 N ALA A 23 -11.915 -12.938 5.440 1.00 0.00 N ATOM 366 CA ALA A 23 -12.088 -14.181 4.714 1.00 0.00 C ATOM 367 C ALA A 23 -10.891 -14.413 3.811 1.00 0.00 C ATOM 368 O ALA A 23 -10.547 -15.548 3.482 1.00 0.00 O ATOM 369 CB ALA A 23 -13.377 -14.154 3.905 1.00 0.00 C ATOM 0 H ALA A 23 -12.542 -12.188 5.148 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.158 -15.003 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.489 -15.096 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.225 -14.016 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.342 -13.331 3.192 1.00 0.00 H new ATOM 375 N ASN A 24 -10.254 -13.314 3.426 1.00 0.00 N ATOM 376 CA ASN A 24 -9.087 -13.362 2.577 1.00 0.00 C ATOM 377 C ASN A 24 -7.815 -13.272 3.409 1.00 0.00 C ATOM 378 O ASN A 24 -7.170 -12.225 3.464 1.00 0.00 O ATOM 379 CB ASN A 24 -9.133 -12.231 1.550 1.00 0.00 C ATOM 380 CG ASN A 24 -9.680 -12.687 0.211 1.00 0.00 C ATOM 381 OD1 ASN A 24 -9.169 -12.310 -0.844 1.00 0.00 O ATOM 382 ND2 ASN A 24 -10.725 -13.504 0.247 1.00 0.00 N ATOM 0 H ASN A 24 -10.536 -12.372 3.696 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.084 -14.315 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.751 -11.420 1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.129 -11.829 1.411 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.136 -13.845 -0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.117 -13.791 1.144 1.00 0.00 H new ATOM 389 N GLU A 25 -7.462 -14.379 4.061 1.00 0.00 N ATOM 390 CA GLU A 25 -6.267 -14.429 4.901 1.00 0.00 C ATOM 391 C GLU A 25 -5.083 -13.777 4.204 1.00 0.00 C ATOM 392 O GLU A 25 -4.295 -13.069 4.825 1.00 0.00 O ATOM 393 CB GLU A 25 -5.931 -15.878 5.266 1.00 0.00 C ATOM 394 CG GLU A 25 -5.783 -16.111 6.762 1.00 0.00 C ATOM 395 CD GLU A 25 -6.995 -15.648 7.545 1.00 0.00 C ATOM 396 OE1 GLU A 25 -8.093 -15.577 6.955 1.00 0.00 O ATOM 397 OE2 GLU A 25 -6.846 -15.355 8.750 1.00 0.00 O ATOM 0 H GLU A 25 -7.987 -15.253 4.023 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.474 -13.873 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.714 -16.532 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.004 -16.163 4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.619 -17.173 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.899 -15.585 7.123 1.00 0.00 H new ATOM 404 N PHE A 26 -4.973 -14.016 2.910 1.00 0.00 N ATOM 405 CA PHE A 26 -3.891 -13.447 2.117 1.00 0.00 C ATOM 406 C PHE A 26 -3.918 -11.923 2.188 1.00 0.00 C ATOM 407 O PHE A 26 -2.980 -11.296 2.681 1.00 0.00 O ATOM 408 CB PHE A 26 -3.998 -13.909 0.663 1.00 0.00 C ATOM 409 CG PHE A 26 -2.683 -14.314 0.066 1.00 0.00 C ATOM 410 CD1 PHE A 26 -2.166 -15.580 0.290 1.00 0.00 C ATOM 411 CD2 PHE A 26 -1.963 -13.429 -0.719 1.00 0.00 C ATOM 412 CE1 PHE A 26 -0.954 -15.955 -0.258 1.00 0.00 C ATOM 413 CE2 PHE A 26 -0.751 -13.798 -1.270 1.00 0.00 C ATOM 414 CZ PHE A 26 -0.246 -15.063 -1.039 1.00 0.00 C ATOM 0 H PHE A 26 -5.620 -14.601 2.382 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.944 -13.796 2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.688 -14.751 0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.427 -13.105 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.716 -16.281 0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.353 -12.439 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.561 -16.944 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.199 -13.099 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.701 -15.354 -1.469 1.00 0.00 H new ATOM 424 N LEU A 27 -5.001 -11.334 1.691 1.00 0.00 N ATOM 425 CA LEU A 27 -5.166 -9.890 1.693 1.00 0.00 C ATOM 426 C LEU A 27 -4.924 -9.299 3.075 1.00 0.00 C ATOM 427 O LEU A 27 -4.190 -8.322 3.217 1.00 0.00 O ATOM 428 CB LEU A 27 -6.568 -9.531 1.213 1.00 0.00 C ATOM 429 CG LEU A 27 -6.778 -9.679 -0.291 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.518 -11.107 -0.741 1.00 0.00 C ATOM 431 CD2 LEU A 27 -8.179 -9.228 -0.683 1.00 0.00 C ATOM 0 H LEU A 27 -5.783 -11.843 1.279 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.425 -9.466 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.289 -10.163 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.783 -8.501 1.498 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.059 -9.036 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.675 -11.184 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.490 -11.382 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.202 -11.781 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.310 -9.341 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.917 -9.838 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.314 -8.182 -0.409 1.00 0.00 H new ATOM 443 N SER A 28 -5.542 -9.885 4.096 1.00 0.00 N ATOM 444 CA SER A 28 -5.381 -9.398 5.440 1.00 0.00 C ATOM 445 C SER A 28 -3.957 -9.622 5.922 1.00 0.00 C ATOM 446 O SER A 28 -3.290 -8.690 6.364 1.00 0.00 O ATOM 447 CB SER A 28 -6.398 -10.077 6.355 1.00 0.00 C ATOM 448 OG SER A 28 -7.002 -11.189 5.719 1.00 0.00 O ATOM 0 H SER A 28 -6.155 -10.695 4.007 1.00 0.00 H new ATOM 0 HA SER A 28 -5.565 -8.324 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.905 -10.403 7.271 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.166 -9.360 6.644 1.00 0.00 H new ATOM 0 HG SER A 28 -7.632 -10.874 5.038 1.00 0.00 H new ATOM 454 N LYS A 29 -3.493 -10.853 5.810 1.00 0.00 N ATOM 455 CA LYS A 29 -2.134 -11.201 6.218 1.00 0.00 C ATOM 456 C LYS A 29 -1.125 -10.231 5.615 1.00 0.00 C ATOM 457 O LYS A 29 -0.235 -9.741 6.309 1.00 0.00 O ATOM 458 CB LYS A 29 -1.790 -12.634 5.807 1.00 0.00 C ATOM 459 CG LYS A 29 -2.445 -13.692 6.678 1.00 0.00 C ATOM 460 CD LYS A 29 -2.393 -15.062 6.017 1.00 0.00 C ATOM 461 CE LYS A 29 -1.523 -16.021 6.808 1.00 0.00 C ATOM 462 NZ LYS A 29 -1.093 -17.187 5.989 1.00 0.00 N ATOM 0 H LYS A 29 -4.035 -11.634 5.440 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.084 -11.130 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.094 -12.789 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.708 -12.764 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.942 -13.733 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.482 -13.417 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.402 -15.467 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.003 -14.965 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.644 -15.493 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.073 -16.374 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.501 -17.817 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.931 -17.706 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.546 -16.853 5.170 1.00 0.00 H new ATOM 476 N LEU A 30 -1.273 -9.942 4.324 1.00 0.00 N ATOM 477 CA LEU A 30 -0.370 -9.013 3.659 1.00 0.00 C ATOM 478 C LEU A 30 -0.483 -7.639 4.299 1.00 0.00 C ATOM 479 O LEU A 30 0.520 -7.024 4.660 1.00 0.00 O ATOM 480 CB LEU A 30 -0.683 -8.929 2.160 1.00 0.00 C ATOM 481 CG LEU A 30 0.210 -9.766 1.224 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.690 -8.917 0.057 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.401 -10.370 1.963 1.00 0.00 C ATOM 0 H LEU A 30 -2.001 -10.333 3.726 1.00 0.00 H new ATOM 0 HA LEU A 30 0.651 -9.378 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.718 -9.237 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.613 -7.885 1.855 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.393 -10.591 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.320 -9.520 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.170 -8.551 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.264 -8.071 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.004 -10.952 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.008 -9.571 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.042 -11.019 2.762 1.00 0.00 H new ATOM 495 N VAL A 31 -1.716 -7.181 4.470 1.00 0.00 N ATOM 496 CA VAL A 31 -1.972 -5.897 5.104 1.00 0.00 C ATOM 497 C VAL A 31 -1.378 -5.903 6.506 1.00 0.00 C ATOM 498 O VAL A 31 -0.879 -4.890 6.990 1.00 0.00 O ATOM 499 CB VAL A 31 -3.483 -5.618 5.192 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.747 -4.353 5.988 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.091 -5.520 3.801 1.00 0.00 C ATOM 0 H VAL A 31 -2.555 -7.682 4.178 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.511 -5.114 4.502 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.957 -6.451 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.821 -4.173 6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.350 -4.468 6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.260 -3.508 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.160 -5.322 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.614 -4.709 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.936 -6.459 3.269 1.00 0.00 H new ATOM 511 N VAL A 32 -1.425 -7.074 7.135 1.00 0.00 N ATOM 512 CA VAL A 32 -0.885 -7.259 8.472 1.00 0.00 C ATOM 513 C VAL A 32 0.627 -7.137 8.450 1.00 0.00 C ATOM 514 O VAL A 32 1.199 -6.198 9.003 1.00 0.00 O ATOM 515 CB VAL A 32 -1.272 -8.633 9.038 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.801 -8.773 10.475 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.776 -8.852 8.926 1.00 0.00 C ATOM 0 H VAL A 32 -1.837 -7.916 6.732 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.307 -6.483 9.111 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.775 -9.404 8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.085 -9.753 10.857 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.283 -8.669 10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.263 -7.998 11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.032 -9.831 9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.299 -8.078 9.487 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.074 -8.804 7.879 1.00 0.00 H new ATOM 527 N GLN A 33 1.266 -8.088 7.788 1.00 0.00 N ATOM 528 CA GLN A 33 2.719 -8.088 7.664 1.00 0.00 C ATOM 529 C GLN A 33 3.182 -6.719 7.197 1.00 0.00 C ATOM 530 O GLN A 33 4.074 -6.106 7.786 1.00 0.00 O ATOM 531 CB GLN A 33 3.182 -9.196 6.698 1.00 0.00 C ATOM 532 CG GLN A 33 3.798 -8.695 5.396 1.00 0.00 C ATOM 533 CD GLN A 33 4.464 -9.802 4.603 1.00 0.00 C ATOM 534 OE1 GLN A 33 5.546 -9.619 4.048 1.00 0.00 O ATOM 535 NE2 GLN A 33 3.819 -10.961 4.550 1.00 0.00 N ATOM 0 H GLN A 33 0.803 -8.871 7.327 1.00 0.00 H new ATOM 0 HA GLN A 33 3.167 -8.297 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.911 -9.823 7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.328 -9.830 6.459 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.022 -8.232 4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.532 -7.921 5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.923 -11.068 5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.219 -11.744 4.034 1.00 0.00 H new ATOM 544 N CYS A 34 2.535 -6.235 6.151 1.00 0.00 N ATOM 545 CA CYS A 34 2.835 -4.922 5.608 1.00 0.00 C ATOM 546 C CYS A 34 2.673 -3.878 6.702 1.00 0.00 C ATOM 547 O CYS A 34 3.499 -2.975 6.846 1.00 0.00 O ATOM 548 CB CYS A 34 1.903 -4.602 4.436 1.00 0.00 C ATOM 549 SG CYS A 34 2.296 -5.495 2.913 1.00 0.00 S ATOM 0 H CYS A 34 1.795 -6.735 5.659 1.00 0.00 H new ATOM 0 HA CYS A 34 3.862 -4.912 5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.879 -4.835 4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.942 -3.531 4.237 1.00 0.00 H new ATOM 0 HG CYS A 34 1.647 -6.621 2.890 1.00 0.00 H new ATOM 555 N ALA A 35 1.605 -4.026 7.488 1.00 0.00 N ATOM 556 CA ALA A 35 1.327 -3.111 8.587 1.00 0.00 C ATOM 557 C ALA A 35 2.501 -3.056 9.553 1.00 0.00 C ATOM 558 O ALA A 35 2.779 -2.022 10.159 1.00 0.00 O ATOM 559 CB ALA A 35 0.055 -3.526 9.312 1.00 0.00 C ATOM 0 H ALA A 35 0.920 -4.774 7.380 1.00 0.00 H new ATOM 0 HA ALA A 35 1.181 -2.113 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.140 -2.833 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.783 -3.509 8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.175 -4.533 9.710 1.00 0.00 H new ATOM 565 N GLY A 36 3.190 -4.179 9.678 1.00 0.00 N ATOM 566 CA GLY A 36 4.340 -4.251 10.557 1.00 0.00 C ATOM 567 C GLY A 36 5.536 -3.530 9.977 1.00 0.00 C ATOM 568 O GLY A 36 6.400 -3.053 10.713 1.00 0.00 O ATOM 0 H GLY A 36 2.973 -5.045 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.087 -3.815 11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.596 -5.295 10.735 1.00 0.00 H new ATOM 572 N LYS A 37 5.579 -3.440 8.653 1.00 0.00 N ATOM 573 CA LYS A 37 6.669 -2.760 7.976 1.00 0.00 C ATOM 574 C LYS A 37 6.474 -1.248 8.048 1.00 0.00 C ATOM 575 O LYS A 37 7.415 -0.479 7.855 1.00 0.00 O ATOM 576 CB LYS A 37 6.758 -3.205 6.514 1.00 0.00 C ATOM 577 CG LYS A 37 6.511 -4.692 6.308 1.00 0.00 C ATOM 578 CD LYS A 37 7.482 -5.542 7.115 1.00 0.00 C ATOM 579 CE LYS A 37 6.755 -6.416 8.125 1.00 0.00 C ATOM 580 NZ LYS A 37 7.702 -7.092 9.055 1.00 0.00 N ATOM 0 H LYS A 37 4.871 -3.830 8.030 1.00 0.00 H new ATOM 0 HA LYS A 37 7.600 -3.023 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.032 -2.641 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.745 -2.953 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.488 -4.934 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.609 -4.934 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.063 -6.171 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.188 -4.894 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.057 -5.806 8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.165 -7.166 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.168 -7.678 9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.352 -7.694 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.247 -6.376 9.576 1.00 0.00 H new ATOM 594 N LEU A 38 5.239 -0.833 8.322 1.00 0.00 N ATOM 595 CA LEU A 38 4.909 0.582 8.414 1.00 0.00 C ATOM 596 C LEU A 38 5.075 1.104 9.832 1.00 0.00 C ATOM 597 O LEU A 38 5.312 2.294 10.031 1.00 0.00 O ATOM 598 CB LEU A 38 3.483 0.822 7.938 1.00 0.00 C ATOM 599 CG LEU A 38 3.292 0.697 6.428 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.536 -0.578 6.084 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.574 1.919 5.886 1.00 0.00 C ATOM 0 H LEU A 38 4.451 -1.460 8.484 1.00 0.00 H new ATOM 0 HA LEU A 38 5.602 1.125 7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.823 0.112 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.172 1.819 8.250 1.00 0.00 H new ATOM 0 HG LEU A 38 4.273 0.640 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.411 -0.647 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.098 -1.441 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.557 -0.560 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.444 1.817 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.598 2.008 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.164 2.811 6.097 1.00 0.00 H new ATOM 613 N THR A 39 4.961 0.219 10.822 1.00 0.00 N ATOM 614 CA THR A 39 5.122 0.635 12.211 1.00 0.00 C ATOM 615 C THR A 39 6.397 1.453 12.352 1.00 0.00 C ATOM 616 O THR A 39 6.483 2.363 13.176 1.00 0.00 O ATOM 617 CB THR A 39 5.156 -0.569 13.150 1.00 0.00 C ATOM 618 OG1 THR A 39 5.091 -1.786 12.427 1.00 0.00 O ATOM 619 CG2 THR A 39 4.030 -0.569 14.158 1.00 0.00 C ATOM 0 H THR A 39 4.761 -0.773 10.691 1.00 0.00 H new ATOM 0 HA THR A 39 4.265 1.247 12.491 1.00 0.00 H new ATOM 0 HB THR A 39 6.103 -0.487 13.683 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.861 -1.850 11.824 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.111 -1.450 14.794 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.092 0.329 14.772 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.074 -0.586 13.635 1.00 0.00 H new ATOM 627 N ALA A 40 7.372 1.134 11.509 1.00 0.00 N ATOM 628 CA ALA A 40 8.634 1.842 11.493 1.00 0.00 C ATOM 629 C ALA A 40 8.682 2.806 10.318 1.00 0.00 C ATOM 630 O ALA A 40 9.714 2.944 9.659 1.00 0.00 O ATOM 631 CB ALA A 40 9.812 0.882 11.420 1.00 0.00 C ATOM 0 H ALA A 40 7.305 0.381 10.824 1.00 0.00 H new ATOM 0 HA ALA A 40 8.710 2.402 12.425 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.743 1.449 11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.798 0.222 12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.740 0.286 10.510 1.00 0.00 H new ATOM 637 N SER A 41 7.564 3.475 10.048 1.00 0.00 N ATOM 638 CA SER A 41 7.502 4.418 8.941 1.00 0.00 C ATOM 639 C SER A 41 8.666 5.403 9.015 1.00 0.00 C ATOM 640 O SER A 41 9.069 5.976 8.003 1.00 0.00 O ATOM 641 CB SER A 41 6.158 5.151 8.931 1.00 0.00 C ATOM 642 OG SER A 41 6.293 6.480 8.453 1.00 0.00 O ATOM 0 H SER A 41 6.697 3.381 10.577 1.00 0.00 H new ATOM 0 HA SER A 41 7.587 3.864 8.006 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.451 4.608 8.304 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.743 5.166 9.939 1.00 0.00 H new ATOM 0 HG SER A 41 5.845 6.563 7.586 1.00 0.00 H new ATOM 648 N ASN A 42 9.233 5.562 10.212 1.00 0.00 N ATOM 649 CA ASN A 42 10.383 6.438 10.398 1.00 0.00 C ATOM 650 C ASN A 42 11.442 6.110 9.348 1.00 0.00 C ATOM 651 O ASN A 42 12.203 6.978 8.919 1.00 0.00 O ATOM 652 CB ASN A 42 10.958 6.258 11.803 1.00 0.00 C ATOM 653 CG ASN A 42 10.945 7.545 12.604 1.00 0.00 C ATOM 654 OD1 ASN A 42 11.783 8.425 12.401 1.00 0.00 O ATOM 655 ND2 ASN A 42 9.992 7.662 13.520 1.00 0.00 N ATOM 0 H ASN A 42 8.914 5.096 11.062 1.00 0.00 H new ATOM 0 HA ASN A 42 10.071 7.476 10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.383 5.498 12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.981 5.890 11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.933 8.506 14.090 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.318 6.908 13.654 1.00 0.00 H new ATOM 662 N SER A 43 11.443 4.852 8.911 1.00 0.00 N ATOM 663 CA SER A 43 12.339 4.390 7.893 1.00 0.00 C ATOM 664 C SER A 43 11.617 4.509 6.566 1.00 0.00 C ATOM 665 O SER A 43 11.254 3.508 5.949 1.00 0.00 O ATOM 666 CB SER A 43 12.754 2.940 8.150 1.00 0.00 C ATOM 667 OG SER A 43 13.879 2.584 7.366 1.00 0.00 O ATOM 0 H SER A 43 10.812 4.133 9.265 1.00 0.00 H new ATOM 0 HA SER A 43 13.249 4.989 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.987 2.807 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.922 2.274 7.921 1.00 0.00 H new ATOM 0 HG SER A 43 14.125 1.653 7.550 1.00 0.00 H new ATOM 673 N GLU A 44 11.374 5.747 6.153 1.00 0.00 N ATOM 674 CA GLU A 44 10.652 6.002 4.921 1.00 0.00 C ATOM 675 C GLU A 44 11.341 5.326 3.757 1.00 0.00 C ATOM 676 O GLU A 44 10.720 5.012 2.753 1.00 0.00 O ATOM 677 CB GLU A 44 10.548 7.507 4.674 1.00 0.00 C ATOM 678 CG GLU A 44 11.701 8.095 3.870 1.00 0.00 C ATOM 679 CD GLU A 44 12.134 9.459 4.373 1.00 0.00 C ATOM 680 OE1 GLU A 44 11.487 9.984 5.303 1.00 0.00 O ATOM 681 OE2 GLU A 44 13.122 10.002 3.838 1.00 0.00 O ATOM 0 H GLU A 44 11.667 6.586 6.654 1.00 0.00 H new ATOM 0 HA GLU A 44 9.647 5.591 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.614 7.713 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.494 8.018 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.550 7.412 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.404 8.176 2.824 1.00 0.00 H new ATOM 688 N ASN A 45 12.623 5.082 3.917 1.00 0.00 N ATOM 689 CA ASN A 45 13.388 4.412 2.881 1.00 0.00 C ATOM 690 C ASN A 45 12.959 2.957 2.803 1.00 0.00 C ATOM 691 O ASN A 45 12.807 2.378 1.725 1.00 0.00 O ATOM 692 CB ASN A 45 14.890 4.516 3.164 1.00 0.00 C ATOM 693 CG ASN A 45 15.594 5.459 2.208 1.00 0.00 C ATOM 694 OD1 ASN A 45 15.955 5.078 1.095 1.00 0.00 O ATOM 695 ND2 ASN A 45 15.793 6.700 2.639 1.00 0.00 N ATOM 0 H ASN A 45 13.158 5.334 4.748 1.00 0.00 H new ATOM 0 HA ASN A 45 13.195 4.896 1.924 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.041 4.860 4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.340 3.526 3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.262 7.379 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.477 6.974 3.570 1.00 0.00 H new ATOM 702 N SER A 46 12.728 2.397 3.970 1.00 0.00 N ATOM 703 CA SER A 46 12.280 1.025 4.095 1.00 0.00 C ATOM 704 C SER A 46 10.784 0.946 3.855 1.00 0.00 C ATOM 705 O SER A 46 10.259 -0.056 3.370 1.00 0.00 O ATOM 706 CB SER A 46 12.628 0.498 5.480 1.00 0.00 C ATOM 707 OG SER A 46 11.860 -0.648 5.804 1.00 0.00 O ATOM 0 H SER A 46 12.845 2.880 4.861 1.00 0.00 H new ATOM 0 HA SER A 46 12.783 0.410 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.689 0.251 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.453 1.277 6.222 1.00 0.00 H new ATOM 0 HG SER A 46 12.106 -0.965 6.698 1.00 0.00 H new ATOM 713 N TYR A 47 10.118 2.044 4.176 1.00 0.00 N ATOM 714 CA TYR A 47 8.706 2.183 3.993 1.00 0.00 C ATOM 715 C TYR A 47 8.464 2.571 2.546 1.00 0.00 C ATOM 716 O TYR A 47 7.380 2.381 2.019 1.00 0.00 O ATOM 717 CB TYR A 47 8.173 3.186 5.023 1.00 0.00 C ATOM 718 CG TYR A 47 7.191 4.209 4.526 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.604 5.262 3.731 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.858 4.150 4.903 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.715 6.229 3.315 1.00 0.00 C ATOM 722 CE2 TYR A 47 4.961 5.117 4.497 1.00 0.00 C ATOM 723 CZ TYR A 47 5.393 6.153 3.704 1.00 0.00 C ATOM 724 OH TYR A 47 4.501 7.120 3.306 1.00 0.00 O ATOM 0 H TYR A 47 10.563 2.870 4.577 1.00 0.00 H new ATOM 0 HA TYR A 47 8.159 1.257 4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.701 2.626 5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.023 3.713 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.640 5.328 3.431 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.516 3.335 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.051 7.042 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.926 5.060 4.801 1.00 0.00 H new ATOM 0 HH TYR A 47 3.613 6.914 3.666 1.00 0.00 H new ATOM 734 N ILE A 48 9.541 3.069 1.914 1.00 0.00 N ATOM 735 CA ILE A 48 9.552 3.447 0.507 1.00 0.00 C ATOM 736 C ILE A 48 9.478 2.181 -0.318 1.00 0.00 C ATOM 737 O ILE A 48 8.792 2.114 -1.333 1.00 0.00 O ATOM 738 CB ILE A 48 10.862 4.233 0.164 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.662 5.750 0.254 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.440 3.870 -1.208 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.302 6.175 0.742 1.00 0.00 C ATOM 0 H ILE A 48 10.436 3.219 2.380 1.00 0.00 H new ATOM 0 HA ILE A 48 8.703 4.094 0.288 1.00 0.00 H new ATOM 0 HB ILE A 48 11.584 3.926 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.419 6.164 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.832 6.185 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.346 4.449 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.678 2.807 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.708 4.096 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.251 7.263 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.537 5.795 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.132 5.774 1.741 1.00 0.00 H new ATOM 753 N GLU A 49 10.175 1.163 0.150 1.00 0.00 N ATOM 754 CA GLU A 49 10.169 -0.103 -0.527 1.00 0.00 C ATOM 755 C GLU A 49 8.797 -0.687 -0.401 1.00 0.00 C ATOM 756 O GLU A 49 8.101 -0.857 -1.398 1.00 0.00 O ATOM 757 CB GLU A 49 11.238 -1.029 0.048 1.00 0.00 C ATOM 758 CG GLU A 49 12.567 -0.327 0.278 1.00 0.00 C ATOM 759 CD GLU A 49 13.380 -0.960 1.390 1.00 0.00 C ATOM 760 OE1 GLU A 49 12.784 -1.649 2.244 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.614 -0.769 1.405 1.00 0.00 O ATOM 0 H GLU A 49 10.748 1.195 0.993 1.00 0.00 H new ATOM 0 HA GLU A 49 10.409 0.027 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.883 -1.443 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.389 -1.868 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.147 -0.344 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.383 0.720 0.519 1.00 0.00 H new ATOM 768 N VAL A 50 8.370 -0.922 0.828 1.00 0.00 N ATOM 769 CA VAL A 50 7.035 -1.416 1.033 1.00 0.00 C ATOM 770 C VAL A 50 6.047 -0.424 0.424 1.00 0.00 C ATOM 771 O VAL A 50 4.929 -0.786 0.063 1.00 0.00 O ATOM 772 CB VAL A 50 6.709 -1.665 2.523 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.579 -0.353 3.280 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.440 -2.494 2.660 1.00 0.00 C ATOM 0 H VAL A 50 8.919 -0.780 1.676 1.00 0.00 H new ATOM 0 HA VAL A 50 6.953 -2.385 0.541 1.00 0.00 H new ATOM 0 HB VAL A 50 7.535 -2.224 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.349 -0.558 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.517 0.199 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.777 0.242 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.226 -2.660 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.607 -1.963 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.577 -3.454 2.163 1.00 0.00 H new ATOM 784 N ILE A 51 6.497 0.831 0.276 1.00 0.00 N ATOM 785 CA ILE A 51 5.682 1.866 -0.326 1.00 0.00 C ATOM 786 C ILE A 51 5.617 1.643 -1.829 1.00 0.00 C ATOM 787 O ILE A 51 4.578 1.857 -2.458 1.00 0.00 O ATOM 788 CB ILE A 51 6.217 3.287 0.027 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.224 3.998 0.946 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.489 4.140 -1.208 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.768 3.821 0.539 1.00 0.00 C ATOM 0 H ILE A 51 7.423 1.142 0.569 1.00 0.00 H new ATOM 0 HA ILE A 51 4.672 1.807 0.079 1.00 0.00 H new ATOM 0 HB ILE A 51 7.171 3.155 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.354 3.626 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.459 5.062 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.859 5.118 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.236 3.649 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.566 4.263 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.127 4.355 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.620 4.220 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.514 2.761 0.549 1.00 0.00 H new ATOM 803 N SER A 52 6.727 1.171 -2.399 1.00 0.00 N ATOM 804 CA SER A 52 6.772 0.883 -3.815 1.00 0.00 C ATOM 805 C SER A 52 5.975 -0.373 -4.089 1.00 0.00 C ATOM 806 O SER A 52 5.310 -0.503 -5.117 1.00 0.00 O ATOM 807 CB SER A 52 8.204 0.706 -4.305 1.00 0.00 C ATOM 808 OG SER A 52 8.876 1.953 -4.366 1.00 0.00 O ATOM 0 H SER A 52 7.596 0.984 -1.898 1.00 0.00 H new ATOM 0 HA SER A 52 6.341 1.727 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.740 0.032 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.200 0.242 -5.291 1.00 0.00 H new ATOM 0 HG SER A 52 9.841 1.801 -4.442 1.00 0.00 H new ATOM 814 N LEU A 53 6.058 -1.298 -3.142 1.00 0.00 N ATOM 815 CA LEU A 53 5.362 -2.560 -3.242 1.00 0.00 C ATOM 816 C LEU A 53 3.910 -2.415 -2.821 1.00 0.00 C ATOM 817 O LEU A 53 3.098 -3.275 -3.107 1.00 0.00 O ATOM 818 CB LEU A 53 6.051 -3.628 -2.395 1.00 0.00 C ATOM 819 CG LEU A 53 7.539 -3.395 -2.175 1.00 0.00 C ATOM 820 CD1 LEU A 53 8.167 -4.563 -1.431 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.248 -3.150 -3.498 1.00 0.00 C ATOM 0 H LEU A 53 6.608 -1.189 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 53 5.389 -2.873 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.557 -3.679 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.915 -4.598 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 53 7.654 -2.503 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.230 -4.373 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.684 -4.679 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.038 -5.476 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.310 -2.986 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.120 -4.018 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.822 -2.271 -3.981 1.00 0.00 H new ATOM 833 N LEU A 54 3.578 -1.329 -2.134 1.00 0.00 N ATOM 834 CA LEU A 54 2.210 -1.123 -1.698 1.00 0.00 C ATOM 835 C LEU A 54 1.332 -0.656 -2.843 1.00 0.00 C ATOM 836 O LEU A 54 0.222 -1.163 -3.023 1.00 0.00 O ATOM 837 CB LEU A 54 2.160 -0.161 -0.518 1.00 0.00 C ATOM 838 CG LEU A 54 2.361 -0.823 0.854 1.00 0.00 C ATOM 839 CD1 LEU A 54 1.124 -0.639 1.720 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.693 -2.313 0.711 1.00 0.00 C ATOM 0 H LEU A 54 4.229 -0.589 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 54 1.812 -2.080 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.927 0.602 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.197 0.350 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 54 3.207 -0.335 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.284 -1.114 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.936 0.425 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.265 -1.096 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.829 -2.752 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.876 -2.820 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.610 -2.428 0.134 1.00 0.00 H new ATOM 852 N SER A 55 1.834 0.277 -3.642 1.00 0.00 N ATOM 853 CA SER A 55 1.081 0.762 -4.790 1.00 0.00 C ATOM 854 C SER A 55 1.185 -0.234 -5.942 1.00 0.00 C ATOM 855 O SER A 55 1.460 0.137 -7.083 1.00 0.00 O ATOM 856 CB SER A 55 1.586 2.135 -5.230 1.00 0.00 C ATOM 857 OG SER A 55 2.908 2.056 -5.736 1.00 0.00 O ATOM 0 H SER A 55 2.750 0.709 -3.518 1.00 0.00 H new ATOM 0 HA SER A 55 0.035 0.861 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.924 2.541 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.557 2.824 -4.386 1.00 0.00 H new ATOM 0 HG SER A 55 2.929 1.445 -6.502 1.00 0.00 H new ATOM 863 N ARG A 56 0.961 -1.506 -5.618 1.00 0.00 N ATOM 864 CA ARG A 56 1.021 -2.594 -6.586 1.00 0.00 C ATOM 865 C ARG A 56 0.933 -3.930 -5.855 1.00 0.00 C ATOM 866 O ARG A 56 0.169 -4.812 -6.237 1.00 0.00 O ATOM 867 CB ARG A 56 2.317 -2.533 -7.402 1.00 0.00 C ATOM 868 CG ARG A 56 2.105 -2.715 -8.896 1.00 0.00 C ATOM 869 CD ARG A 56 3.322 -3.341 -9.561 1.00 0.00 C ATOM 870 NE ARG A 56 3.006 -4.624 -10.184 1.00 0.00 N ATOM 871 CZ ARG A 56 2.427 -4.748 -11.376 1.00 0.00 C ATOM 872 NH1 ARG A 56 2.095 -3.670 -12.076 1.00 0.00 N ATOM 873 NH2 ARG A 56 2.176 -5.953 -11.870 1.00 0.00 N ATOM 0 H ARG A 56 0.732 -1.810 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 56 0.181 -2.493 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.802 -1.573 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.999 -3.304 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.232 -3.345 -9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.895 -1.749 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.714 -2.659 -10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.108 -3.482 -8.819 1.00 0.00 H new ATOM 0 HE ARG A 56 3.243 -5.476 -9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.283 -2.740 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.652 -3.771 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.427 -6.785 -11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.732 -6.047 -12.784 1.00 0.00 H new ATOM 887 N GLY A 57 1.720 -4.053 -4.789 1.00 0.00 N ATOM 888 CA GLY A 57 1.736 -5.268 -3.988 1.00 0.00 C ATOM 889 C GLY A 57 0.396 -5.564 -3.363 1.00 0.00 C ATOM 890 O GLY A 57 0.011 -6.724 -3.218 1.00 0.00 O ATOM 0 H GLY A 57 2.354 -3.324 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.035 -6.109 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.486 -5.172 -3.203 1.00 0.00 H new ATOM 894 N ILE A 58 -0.310 -4.509 -2.977 1.00 0.00 N ATOM 895 CA ILE A 58 -1.613 -4.647 -2.345 1.00 0.00 C ATOM 896 C ILE A 58 -2.484 -5.684 -3.055 1.00 0.00 C ATOM 897 O ILE A 58 -3.309 -6.348 -2.430 1.00 0.00 O ATOM 898 CB ILE A 58 -2.343 -3.291 -2.296 1.00 0.00 C ATOM 899 CG1 ILE A 58 -3.501 -3.348 -1.309 1.00 0.00 C ATOM 900 CG2 ILE A 58 -2.836 -2.880 -3.677 1.00 0.00 C ATOM 901 CD1 ILE A 58 -3.850 -2.002 -0.714 1.00 0.00 C ATOM 0 H ILE A 58 0.001 -3.544 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.440 -4.995 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.632 -2.537 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.379 -3.753 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.249 -4.038 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.347 -1.919 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.987 -2.793 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.527 -3.633 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.683 -2.116 -0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.986 -1.604 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.133 -1.314 -1.511 1.00 0.00 H new ATOM 1109 N PRO A 70 -13.006 -5.340 -1.215 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.978 -4.756 -0.296 1.00 0.00 C ATOM 1111 C PRO A 70 -13.708 -3.291 0.038 1.00 0.00 C ATOM 1112 O PRO A 70 -13.817 -2.884 1.195 1.00 0.00 O ATOM 1113 CB PRO A 70 -13.830 -5.629 0.942 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.398 -6.041 0.950 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.945 -6.072 -0.493 1.00 0.00 C ATOM 0 HA PRO A 70 -14.980 -4.741 -0.725 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.088 -5.079 1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.490 -6.495 0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.797 -5.340 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.280 -7.020 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.974 -5.593 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.845 -7.094 -0.858 1.00 0.00 H new ATOM 1123 N SER A 71 -13.379 -2.497 -0.979 1.00 0.00 N ATOM 1124 CA SER A 71 -13.117 -1.067 -0.800 1.00 0.00 C ATOM 1125 C SER A 71 -11.848 -0.809 0.017 1.00 0.00 C ATOM 1126 O SER A 71 -10.989 -0.025 -0.394 1.00 0.00 O ATOM 1127 CB SER A 71 -14.312 -0.397 -0.126 1.00 0.00 C ATOM 1128 OG SER A 71 -15.491 -1.162 -0.298 1.00 0.00 O ATOM 0 H SER A 71 -13.287 -2.821 -1.942 1.00 0.00 H new ATOM 0 HA SER A 71 -12.963 -0.639 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.109 -0.270 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.457 0.599 -0.544 1.00 0.00 H new ATOM 0 HG SER A 71 -16.241 -0.712 0.144 1.00 0.00 H new ATOM 1134 N SER A 72 -11.736 -1.456 1.176 1.00 0.00 N ATOM 1135 CA SER A 72 -10.576 -1.283 2.051 1.00 0.00 C ATOM 1136 C SER A 72 -9.271 -1.754 1.402 1.00 0.00 C ATOM 1137 O SER A 72 -8.278 -1.983 2.092 1.00 0.00 O ATOM 1138 CB SER A 72 -10.801 -2.027 3.367 1.00 0.00 C ATOM 1139 OG SER A 72 -12.179 -2.267 3.589 1.00 0.00 O ATOM 0 H SER A 72 -12.436 -2.107 1.532 1.00 0.00 H new ATOM 0 HA SER A 72 -10.473 -0.214 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.262 -2.974 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.393 -1.444 4.192 1.00 0.00 H new ATOM 0 HG SER A 72 -12.410 -3.164 3.270 1.00 0.00 H new ATOM 1145 N MET A 73 -9.264 -1.866 0.079 1.00 0.00 N ATOM 1146 CA MET A 73 -8.073 -2.269 -0.651 1.00 0.00 C ATOM 1147 C MET A 73 -7.828 -1.300 -1.802 1.00 0.00 C ATOM 1148 O MET A 73 -7.107 -1.603 -2.751 1.00 0.00 O ATOM 1149 CB MET A 73 -8.217 -3.699 -1.175 1.00 0.00 C ATOM 1150 CG MET A 73 -8.369 -4.736 -0.073 1.00 0.00 C ATOM 1151 SD MET A 73 -6.793 -5.454 0.430 1.00 0.00 S ATOM 1152 CE MET A 73 -5.756 -3.996 0.473 1.00 0.00 C ATOM 0 H MET A 73 -10.076 -1.682 -0.511 1.00 0.00 H new ATOM 0 HA MET A 73 -7.218 -2.244 0.025 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.084 -3.751 -1.834 1.00 0.00 H new ATOM 0 HB3 MET A 73 -7.343 -3.946 -1.778 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.845 -4.274 0.792 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.032 -5.530 -0.416 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.759 -4.269 0.820 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.688 -3.568 -0.527 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.189 -3.262 1.153 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.447 -0.129 -1.692 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.329 0.915 -2.695 1.00 0.00 C ATOM 1164 C LEU A 74 -8.156 2.270 -2.024 1.00 0.00 C ATOM 1165 O LEU A 74 -7.473 3.142 -2.548 1.00 0.00 O ATOM 1166 CB LEU A 74 -9.569 0.912 -3.594 1.00 0.00 C ATOM 1167 CG LEU A 74 -9.706 2.108 -4.541 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -9.415 1.694 -5.977 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -11.099 2.714 -4.428 1.00 0.00 C ATOM 0 H LEU A 74 -9.044 0.120 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.450 0.723 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.561 -0.001 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.455 0.871 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.975 2.863 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.518 2.558 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.399 1.306 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.120 0.921 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.183 3.563 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.845 1.964 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.268 3.049 -3.405 1.00 0.00 H new ATOM 1181 N THR A 75 -8.762 2.434 -0.851 1.00 0.00 N ATOM 1182 CA THR A 75 -8.655 3.678 -0.110 1.00 0.00 C ATOM 1183 C THR A 75 -7.247 3.825 0.447 1.00 0.00 C ATOM 1184 O THR A 75 -6.751 4.934 0.639 1.00 0.00 O ATOM 1185 CB THR A 75 -9.703 3.721 1.014 1.00 0.00 C ATOM 1186 OG1 THR A 75 -10.598 4.801 0.819 1.00 0.00 O ATOM 1187 CG2 THR A 75 -9.123 3.854 2.411 1.00 0.00 C ATOM 0 H THR A 75 -9.331 1.719 -0.397 1.00 0.00 H new ATOM 0 HA THR A 75 -8.849 4.515 -0.781 1.00 0.00 H new ATOM 0 HB THR A 75 -10.209 2.757 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.259 4.813 1.542 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.933 3.876 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.472 3.004 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.547 4.777 2.480 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.598 2.696 0.688 1.00 0.00 N ATOM 1196 CA ILE A 76 -5.241 2.706 1.193 1.00 0.00 C ATOM 1197 C ILE A 76 -4.285 2.961 0.039 1.00 0.00 C ATOM 1198 O ILE A 76 -3.526 3.929 0.044 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.882 1.375 1.890 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.741 1.186 3.144 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.400 1.328 2.238 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.896 0.227 2.944 1.00 0.00 C ATOM 0 H ILE A 76 -6.991 1.766 0.541 1.00 0.00 H new ATOM 0 HA ILE A 76 -5.155 3.499 1.936 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.090 0.557 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.111 0.820 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.132 2.154 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.171 0.382 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.809 1.417 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.158 2.152 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.462 0.140 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.548 0.602 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.511 -0.753 2.661 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.362 2.098 -0.969 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.538 2.232 -2.162 1.00 0.00 C ATOM 1216 C TYR A 77 -3.634 3.656 -2.693 1.00 0.00 C ATOM 1217 O TYR A 77 -2.652 4.232 -3.162 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.014 1.240 -3.223 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.250 1.305 -4.524 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.337 2.413 -5.359 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.448 0.249 -4.918 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.641 2.461 -6.551 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -1.748 0.288 -6.107 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.849 1.396 -6.920 1.00 0.00 C ATOM 1225 OH TYR A 77 -1.151 1.440 -8.104 1.00 0.00 O ATOM 0 H TYR A 77 -4.991 1.295 -0.982 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.498 2.017 -1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.936 0.230 -2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.069 1.422 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.958 3.249 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.368 -0.622 -4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.717 3.328 -7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.125 -0.545 -6.398 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.265 1.040 -7.977 1.00 0.00 H new ATOM 1235 N THR A 78 -4.833 4.214 -2.594 1.00 0.00 N ATOM 1236 CA THR A 78 -5.097 5.574 -3.036 1.00 0.00 C ATOM 1237 C THR A 78 -4.381 6.565 -2.133 1.00 0.00 C ATOM 1238 O THR A 78 -3.897 7.605 -2.578 1.00 0.00 O ATOM 1239 CB THR A 78 -6.606 5.834 -3.009 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.998 6.677 -4.078 1.00 0.00 O ATOM 1241 CG2 THR A 78 -7.090 6.461 -1.725 1.00 0.00 C ATOM 0 H THR A 78 -5.647 3.737 -2.206 1.00 0.00 H new ATOM 0 HA THR A 78 -4.727 5.700 -4.054 1.00 0.00 H new ATOM 0 HB THR A 78 -7.061 4.848 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.966 6.826 -4.039 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.168 6.615 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.859 5.801 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.593 7.420 -1.578 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.322 6.216 -0.861 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.672 7.045 0.140 1.00 0.00 C ATOM 1251 C GLN A 79 -2.173 6.980 -0.059 1.00 0.00 C ATOM 1252 O GLN A 79 -1.459 7.976 0.059 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.041 6.580 1.550 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.381 7.108 2.034 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.246 8.377 2.854 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -5.382 8.357 4.077 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -4.977 9.491 2.182 1.00 0.00 N ATOM 0 H GLN A 79 -4.722 5.353 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.011 8.075 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.060 5.490 1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.263 6.898 2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.023 7.302 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.874 6.343 2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.872 9.462 1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.875 10.375 2.680 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.718 5.783 -0.390 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.321 5.522 -0.651 1.00 0.00 C ATOM 1268 C ILE A 80 0.220 6.521 -1.675 1.00 0.00 C ATOM 1269 O ILE A 80 1.191 7.236 -1.417 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.176 4.073 -1.164 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.233 3.141 -0.027 1.00 0.00 C ATOM 1272 CG2 ILE A 80 0.789 3.971 -2.324 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.868 2.185 0.363 1.00 0.00 C ATOM 0 H ILE A 80 -2.316 4.962 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 80 0.258 5.639 0.265 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.151 3.760 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.114 2.573 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.518 3.736 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.858 2.933 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.433 4.588 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.773 4.319 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.524 1.545 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.741 2.750 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.136 1.569 -0.495 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.438 6.576 -2.828 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.052 7.495 -3.887 1.00 0.00 C ATOM 1287 C GLN A 81 -0.251 8.935 -3.435 1.00 0.00 C ATOM 1288 O GLN A 81 0.475 9.841 -3.844 1.00 0.00 O ATOM 1289 CB GLN A 81 -0.875 7.224 -5.147 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.513 5.922 -5.842 1.00 0.00 C ATOM 1291 CD GLN A 81 0.201 6.142 -7.162 1.00 0.00 C ATOM 1292 OE1 GLN A 81 1.395 6.437 -7.193 1.00 0.00 O ATOM 1293 NE2 GLN A 81 -0.532 5.999 -8.260 1.00 0.00 N ATOM 0 H GLN A 81 -1.244 5.992 -3.051 1.00 0.00 H new ATOM 0 HA GLN A 81 1.003 7.341 -4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.932 7.203 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.737 8.049 -5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.122 5.328 -5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.420 5.343 -6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.519 5.753 -8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.108 6.135 -9.178 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.251 9.129 -2.587 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.577 10.446 -2.062 1.00 0.00 C ATOM 1304 C LYS A 82 -0.477 10.984 -1.183 1.00 0.00 C ATOM 1305 O LYS A 82 -0.233 12.180 -1.165 1.00 0.00 O ATOM 1306 CB LYS A 82 -2.875 10.388 -1.263 1.00 0.00 C ATOM 1307 CG LYS A 82 -3.953 11.298 -1.807 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.742 10.602 -2.901 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.188 10.372 -2.490 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.298 9.874 -1.090 1.00 0.00 N ATOM 0 H LYS A 82 -1.856 8.382 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.694 11.116 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.244 9.362 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.669 10.659 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.624 11.597 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.502 12.209 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.713 11.203 -3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.274 9.646 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.745 11.304 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.648 9.653 -3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.142 9.272 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.451 9.320 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.379 10.682 -0.440 1.00 0.00 H new ATOM 1324 N ASP A 83 0.192 10.106 -0.470 1.00 0.00 N ATOM 1325 CA ASP A 83 1.271 10.520 0.394 1.00 0.00 C ATOM 1326 C ASP A 83 2.413 10.997 -0.470 1.00 0.00 C ATOM 1327 O ASP A 83 3.069 11.998 -0.185 1.00 0.00 O ATOM 1328 CB ASP A 83 1.711 9.361 1.278 1.00 0.00 C ATOM 1329 CG ASP A 83 0.798 9.159 2.470 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.437 9.219 2.290 1.00 0.00 O ATOM 1331 OD2 ASP A 83 1.316 8.940 3.585 1.00 0.00 O ATOM 0 H ASP A 83 0.007 9.103 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 83 0.942 11.329 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.737 8.446 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.727 9.542 1.629 1.00 0.00 H new ATOM 1336 N ILE A 84 2.609 10.272 -1.560 1.00 0.00 N ATOM 1337 CA ILE A 84 3.631 10.597 -2.527 1.00 0.00 C ATOM 1338 C ILE A 84 3.458 12.029 -3.011 1.00 0.00 C ATOM 1339 O ILE A 84 4.367 12.853 -2.914 1.00 0.00 O ATOM 1340 CB ILE A 84 3.538 9.634 -3.733 1.00 0.00 C ATOM 1341 CG1 ILE A 84 4.582 8.543 -3.621 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.692 10.378 -5.029 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.504 7.841 -2.310 1.00 0.00 C ATOM 0 H ILE A 84 2.062 9.444 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 84 4.607 10.494 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 84 2.550 9.173 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.445 7.823 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.575 8.975 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.623 9.677 -5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.902 11.124 -5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.663 10.873 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.268 7.065 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.667 8.556 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.519 7.387 -2.198 1.00 0.00 H new ATOM 1355 N LYS A 85 2.278 12.299 -3.554 1.00 0.00 N ATOM 1356 CA LYS A 85 1.962 13.605 -4.085 1.00 0.00 C ATOM 1357 C LYS A 85 1.689 14.607 -2.989 1.00 0.00 C ATOM 1358 O LYS A 85 1.943 15.801 -3.147 1.00 0.00 O ATOM 1359 CB LYS A 85 0.753 13.517 -5.004 1.00 0.00 C ATOM 1360 CG LYS A 85 1.076 13.901 -6.429 1.00 0.00 C ATOM 1361 CD LYS A 85 2.018 12.888 -7.061 1.00 0.00 C ATOM 1362 CE LYS A 85 3.478 13.228 -6.804 1.00 0.00 C ATOM 1363 NZ LYS A 85 4.308 13.084 -8.032 1.00 0.00 N ATOM 0 H LYS A 85 1.522 11.619 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 85 2.831 13.947 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.361 12.500 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.034 14.169 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.157 13.962 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.532 14.891 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.802 11.896 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.839 12.848 -8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.553 14.250 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.870 12.577 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.296 13.325 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.258 12.102 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.951 13.724 -8.770 1.00 0.00 H new ATOM 1377 N ASN A 86 1.151 14.125 -1.886 1.00 0.00 N ATOM 1378 CA ASN A 86 0.828 15.019 -0.780 1.00 0.00 C ATOM 1379 C ASN A 86 2.086 15.548 -0.101 1.00 0.00 C ATOM 1380 O ASN A 86 2.014 16.458 0.725 1.00 0.00 O ATOM 1381 CB ASN A 86 -0.067 14.342 0.262 1.00 0.00 C ATOM 1382 CG ASN A 86 -1.528 14.321 -0.150 1.00 0.00 C ATOM 1383 OD1 ASN A 86 -2.172 13.272 -0.144 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -2.059 15.484 -0.509 1.00 0.00 N ATOM 0 H ASN A 86 0.930 13.142 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 86 0.281 15.856 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.277 13.320 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.031 14.864 1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.037 15.532 -0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.489 16.330 -0.499 1.00 0.00 H new ATOM 1391 N GLY A 87 3.236 14.968 -0.430 1.00 0.00 N ATOM 1392 CA GLY A 87 4.472 15.401 0.188 1.00 0.00 C ATOM 1393 C GLY A 87 4.680 14.713 1.516 1.00 0.00 C ATOM 1394 O GLY A 87 5.259 15.278 2.443 1.00 0.00 O ATOM 0 H GLY A 87 3.332 14.212 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.310 15.183 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.452 16.481 0.333 1.00 0.00 H new ATOM 1398 N ASN A 88 4.210 13.475 1.589 1.00 0.00 N ATOM 1399 CA ASN A 88 4.336 12.665 2.777 1.00 0.00 C ATOM 1400 C ASN A 88 5.488 11.711 2.598 1.00 0.00 C ATOM 1401 O ASN A 88 6.058 11.196 3.560 1.00 0.00 O ATOM 1402 CB ASN A 88 3.041 11.901 3.032 1.00 0.00 C ATOM 1403 CG ASN A 88 1.893 12.819 3.403 1.00 0.00 C ATOM 1404 OD1 ASN A 88 0.831 12.786 2.781 1.00 0.00 O ATOM 1405 ND2 ASN A 88 2.100 13.647 4.421 1.00 0.00 N ATOM 0 H ASN A 88 3.730 13.009 0.819 1.00 0.00 H new ATOM 0 HA ASN A 88 4.527 13.303 3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.775 11.333 2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.200 11.180 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.363 14.288 4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.996 13.641 4.909 1.00 0.00 H new ATOM 1412 N ILE A 89 5.801 11.470 1.341 1.00 0.00 N ATOM 1413 CA ILE A 89 6.838 10.584 0.964 1.00 0.00 C ATOM 1414 C ILE A 89 7.778 11.284 0.001 1.00 0.00 C ATOM 1415 O ILE A 89 7.440 12.342 -0.531 1.00 0.00 O ATOM 1416 CB ILE A 89 6.164 9.408 0.296 1.00 0.00 C ATOM 1417 CG1 ILE A 89 5.254 8.719 1.303 1.00 0.00 C ATOM 1418 CG2 ILE A 89 7.180 8.474 -0.274 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.190 7.886 0.671 1.00 0.00 C ATOM 0 H ILE A 89 5.321 11.902 0.552 1.00 0.00 H new ATOM 0 HA ILE A 89 7.429 10.257 1.820 1.00 0.00 H new ATOM 0 HB ILE A 89 5.553 9.754 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.858 8.089 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.786 9.474 1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.675 7.634 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.784 9.001 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.823 8.105 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.579 7.425 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.562 8.515 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.651 7.108 0.062 1.00 0.00 H new ATOM 1431 N ASP A 90 8.937 10.700 -0.252 1.00 0.00 N ATOM 1432 CA ASP A 90 9.860 11.300 -1.184 1.00 0.00 C ATOM 1433 C ASP A 90 9.981 10.411 -2.394 1.00 0.00 C ATOM 1434 O ASP A 90 10.918 9.627 -2.534 1.00 0.00 O ATOM 1435 CB ASP A 90 11.219 11.593 -0.540 1.00 0.00 C ATOM 1436 CG ASP A 90 11.424 13.073 -0.282 1.00 0.00 C ATOM 1437 OD1 ASP A 90 10.516 13.707 0.296 1.00 0.00 O ATOM 1438 OD2 ASP A 90 12.492 13.600 -0.659 1.00 0.00 O ATOM 0 H ASP A 90 9.252 9.826 0.169 1.00 0.00 H new ATOM 0 HA ASP A 90 9.471 12.269 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.298 11.048 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.014 11.226 -1.190 1.00 0.00 H new ATOM 1443 N THR A 91 8.988 10.537 -3.264 1.00 0.00 N ATOM 1444 CA THR A 91 8.925 9.747 -4.471 1.00 0.00 C ATOM 1445 C THR A 91 10.223 9.820 -5.261 1.00 0.00 C ATOM 1446 O THR A 91 10.471 8.980 -6.117 1.00 0.00 O ATOM 1447 CB THR A 91 7.735 10.162 -5.320 1.00 0.00 C ATOM 1448 OG1 THR A 91 6.925 11.107 -4.644 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.868 8.991 -5.695 1.00 0.00 C ATOM 0 H THR A 91 8.211 11.188 -3.148 1.00 0.00 H new ATOM 0 HA THR A 91 8.789 8.705 -4.181 1.00 0.00 H new ATOM 0 HB THR A 91 8.154 10.604 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.623 11.791 -5.277 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.031 9.337 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.455 8.271 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.489 8.515 -4.791 1.00 0.00 H new ATOM 1457 N GLU A 92 11.067 10.797 -4.946 1.00 0.00 N ATOM 1458 CA GLU A 92 12.348 10.920 -5.605 1.00 0.00 C ATOM 1459 C GLU A 92 13.225 9.761 -5.172 1.00 0.00 C ATOM 1460 O GLU A 92 14.008 9.227 -5.955 1.00 0.00 O ATOM 1461 CB GLU A 92 13.017 12.247 -5.245 1.00 0.00 C ATOM 1462 CG GLU A 92 12.052 13.420 -5.176 1.00 0.00 C ATOM 1463 CD GLU A 92 12.628 14.688 -5.776 1.00 0.00 C ATOM 1464 OE1 GLU A 92 12.800 14.735 -7.012 1.00 0.00 O ATOM 1465 OE2 GLU A 92 12.907 15.633 -5.010 1.00 0.00 O ATOM 0 H GLU A 92 10.882 11.509 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 92 12.204 10.900 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.517 12.142 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.789 12.466 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.132 13.160 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.784 13.604 -4.136 1.00 0.00 H new ATOM 1472 N LYS A 93 13.054 9.360 -3.917 1.00 0.00 N ATOM 1473 CA LYS A 93 13.792 8.247 -3.361 1.00 0.00 C ATOM 1474 C LYS A 93 13.174 6.953 -3.853 1.00 0.00 C ATOM 1475 O LYS A 93 13.870 5.998 -4.200 1.00 0.00 O ATOM 1476 CB LYS A 93 13.824 8.346 -1.828 1.00 0.00 C ATOM 1477 CG LYS A 93 12.676 7.653 -1.115 1.00 0.00 C ATOM 1478 CD LYS A 93 12.020 8.559 -0.086 1.00 0.00 C ATOM 1479 CE LYS A 93 12.975 8.973 1.023 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.984 9.970 0.569 1.00 0.00 N ATOM 0 H LYS A 93 12.403 9.798 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 93 14.829 8.270 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.762 7.921 -1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.823 9.399 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.933 7.336 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.044 6.752 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.638 9.451 -0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.163 8.046 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.404 9.392 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.488 8.090 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.203 10.622 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.852 9.477 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.603 10.508 -0.235 1.00 0.00 H new ATOM 1494 N LEU A 94 11.854 6.962 -3.924 1.00 0.00 N ATOM 1495 CA LEU A 94 11.100 5.839 -4.420 1.00 0.00 C ATOM 1496 C LEU A 94 11.433 5.613 -5.875 1.00 0.00 C ATOM 1497 O LEU A 94 11.582 4.485 -6.332 1.00 0.00 O ATOM 1498 CB LEU A 94 9.626 6.158 -4.301 1.00 0.00 C ATOM 1499 CG LEU A 94 9.001 5.775 -2.988 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.627 6.406 -2.863 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.941 4.271 -2.886 1.00 0.00 C ATOM 0 H LEU A 94 11.279 7.754 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 94 11.345 4.946 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.487 7.228 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.093 5.648 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 94 9.606 6.148 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.182 6.123 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.719 7.491 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.991 6.058 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.489 3.989 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.341 3.874 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.950 3.862 -2.943 1.00 0.00 H new ATOM 1513 N ARG A 95 11.535 6.719 -6.590 1.00 0.00 N ATOM 1514 CA ARG A 95 11.834 6.707 -8.000 1.00 0.00 C ATOM 1515 C ARG A 95 13.204 6.122 -8.257 1.00 0.00 C ATOM 1516 O ARG A 95 13.408 5.434 -9.249 1.00 0.00 O ATOM 1517 CB ARG A 95 11.733 8.144 -8.516 1.00 0.00 C ATOM 1518 CG ARG A 95 12.806 8.549 -9.503 1.00 0.00 C ATOM 1519 CD ARG A 95 12.573 7.941 -10.875 1.00 0.00 C ATOM 1520 NE ARG A 95 11.162 7.973 -11.259 1.00 0.00 N ATOM 1521 CZ ARG A 95 10.502 9.088 -11.567 1.00 0.00 C ATOM 1522 NH1 ARG A 95 11.121 10.262 -11.550 1.00 0.00 N ATOM 1523 NH2 ARG A 95 9.218 9.028 -11.896 1.00 0.00 N ATOM 0 H ARG A 95 11.411 7.654 -6.201 1.00 0.00 H new ATOM 0 HA ARG A 95 11.121 6.076 -8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.759 8.277 -8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.770 8.823 -7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 95 12.830 9.635 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.781 8.236 -9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.162 8.482 -11.616 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.926 6.910 -10.879 1.00 0.00 H new ATOM 0 HE ARG A 95 10.654 7.089 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.108 10.314 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.609 11.112 -11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.737 8.129 -11.913 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.712 9.881 -12.132 1.00 0.00 H new ATOM 1537 N LYS A 96 14.127 6.393 -7.350 1.00 0.00 N ATOM 1538 CA LYS A 96 15.487 5.878 -7.476 1.00 0.00 C ATOM 1539 C LYS A 96 15.502 4.406 -7.134 1.00 0.00 C ATOM 1540 O LYS A 96 15.965 3.570 -7.913 1.00 0.00 O ATOM 1541 CB LYS A 96 16.460 6.636 -6.562 1.00 0.00 C ATOM 1542 CG LYS A 96 16.642 8.119 -6.885 1.00 0.00 C ATOM 1543 CD LYS A 96 16.403 8.441 -8.354 1.00 0.00 C ATOM 1544 CE LYS A 96 17.659 8.234 -9.188 1.00 0.00 C ATOM 1545 NZ LYS A 96 18.390 6.994 -8.804 1.00 0.00 N ATOM 0 H LYS A 96 13.964 6.964 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 96 15.814 6.023 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.111 6.546 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.434 6.148 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.956 8.705 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.652 8.424 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.602 7.810 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.069 9.474 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 96 17.389 8.183 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.318 9.094 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.007 6.698 -9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 18.968 7.179 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.706 6.238 -8.597 1.00 0.00 H new ATOM 1559 N TYR A 97 14.962 4.091 -5.971 1.00 0.00 N ATOM 1560 CA TYR A 97 14.881 2.722 -5.529 1.00 0.00 C ATOM 1561 C TYR A 97 14.015 1.925 -6.503 1.00 0.00 C ATOM 1562 O TYR A 97 14.270 0.751 -6.751 1.00 0.00 O ATOM 1563 CB TYR A 97 14.326 2.668 -4.108 1.00 0.00 C ATOM 1564 CG TYR A 97 13.412 1.513 -3.853 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.897 0.215 -3.855 1.00 0.00 C ATOM 1566 CD2 TYR A 97 12.067 1.719 -3.614 1.00 0.00 C ATOM 1567 CE1 TYR A 97 13.061 -0.855 -3.624 1.00 0.00 C ATOM 1568 CE2 TYR A 97 11.227 0.660 -3.384 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.724 -0.628 -3.389 1.00 0.00 C ATOM 1570 OH TYR A 97 10.880 -1.690 -3.157 1.00 0.00 O ATOM 0 H TYR A 97 14.573 4.771 -5.318 1.00 0.00 H new ATOM 0 HA TYR A 97 15.875 2.275 -5.514 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.158 2.621 -3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.789 3.594 -3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.946 0.040 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.673 2.725 -3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.451 -1.862 -3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.177 0.833 -3.199 1.00 0.00 H new ATOM 0 HH TYR A 97 11.379 -2.417 -2.730 1.00 0.00 H new ATOM 1580 N GLU A 98 13.012 2.588 -7.083 1.00 0.00 N ATOM 1581 CA GLU A 98 12.135 1.949 -8.056 1.00 0.00 C ATOM 1582 C GLU A 98 12.940 1.584 -9.289 1.00 0.00 C ATOM 1583 O GLU A 98 12.657 0.594 -9.960 1.00 0.00 O ATOM 1584 CB GLU A 98 10.982 2.877 -8.448 1.00 0.00 C ATOM 1585 CG GLU A 98 9.758 2.756 -7.550 1.00 0.00 C ATOM 1586 CD GLU A 98 8.463 2.679 -8.337 1.00 0.00 C ATOM 1587 OE1 GLU A 98 8.502 2.241 -9.506 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.409 3.060 -7.783 1.00 0.00 O ATOM 0 H GLU A 98 12.790 3.565 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 98 11.711 1.050 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.335 3.908 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.689 2.662 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.855 1.866 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.720 3.612 -6.877 1.00 0.00 H new ATOM 1595 N ILE A 99 13.963 2.387 -9.572 1.00 0.00 N ATOM 1596 CA ILE A 99 14.826 2.138 -10.713 1.00 0.00 C ATOM 1597 C ILE A 99 15.454 0.770 -10.583 1.00 0.00 C ATOM 1598 O ILE A 99 15.414 -0.055 -11.495 1.00 0.00 O ATOM 1599 CB ILE A 99 15.958 3.175 -10.822 1.00 0.00 C ATOM 1600 CG1 ILE A 99 15.406 4.579 -10.644 1.00 0.00 C ATOM 1601 CG2 ILE A 99 16.677 3.029 -12.152 1.00 0.00 C ATOM 1602 CD1 ILE A 99 16.410 5.676 -10.919 1.00 0.00 C ATOM 0 H ILE A 99 14.210 3.212 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 99 14.205 2.205 -11.606 1.00 0.00 H new ATOM 0 HB ILE A 99 16.682 2.996 -10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 99 14.551 4.709 -11.308 1.00 0.00 H new ATOM 0 HG13 ILE A 99 15.037 4.686 -9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.475 3.768 -12.217 1.00 0.00 H new ATOM 0 HG22 ILE A 99 17.102 2.028 -12.228 1.00 0.00 H new ATOM 0 HG23 ILE A 99 15.970 3.186 -12.967 1.00 0.00 H new ATOM 0 HD11 ILE A 99 15.938 6.647 -10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.255 5.575 -10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 99 16.762 5.598 -11.948 1.00 0.00 H new ATOM 1614 N ALA A 100 16.035 0.557 -9.419 1.00 0.00 N ATOM 1615 CA ALA A 100 16.695 -0.698 -9.097 1.00 0.00 C ATOM 1616 C ALA A 100 15.711 -1.843 -8.939 1.00 0.00 C ATOM 1617 O ALA A 100 16.109 -2.991 -8.745 1.00 0.00 O ATOM 1618 CB ALA A 100 17.522 -0.539 -7.832 1.00 0.00 C ATOM 0 H ALA A 100 16.064 1.247 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 100 17.348 -0.948 -9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 100 18.013 -1.483 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 100 18.275 0.234 -7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.871 -0.253 -7.005 1.00 0.00 H new ATOM 1624 N LYS A 101 14.431 -1.531 -9.007 1.00 0.00 N ATOM 1625 CA LYS A 101 13.407 -2.531 -8.854 1.00 0.00 C ATOM 1626 C LYS A 101 12.698 -2.826 -10.170 1.00 0.00 C ATOM 1627 O LYS A 101 12.482 -3.982 -10.533 1.00 0.00 O ATOM 1628 CB LYS A 101 12.417 -2.052 -7.824 1.00 0.00 C ATOM 1629 CG LYS A 101 13.027 -1.854 -6.451 1.00 0.00 C ATOM 1630 CD LYS A 101 13.760 -3.087 -5.954 1.00 0.00 C ATOM 1631 CE LYS A 101 12.805 -4.234 -5.667 1.00 0.00 C ATOM 1632 NZ LYS A 101 13.117 -5.436 -6.489 1.00 0.00 N ATOM 0 H LYS A 101 14.080 -0.587 -9.168 1.00 0.00 H new ATOM 0 HA LYS A 101 13.874 -3.461 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.981 -1.111 -8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.602 -2.772 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.719 -1.013 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.241 -1.593 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.491 -3.400 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.314 -2.840 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.857 -4.494 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.782 -3.913 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.443 -6.195 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.042 -5.195 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.084 -5.758 -6.280 1.00 0.00 H new ATOM 1646 N GLY A 102 12.330 -1.764 -10.868 1.00 0.00 N ATOM 1647 CA GLY A 102 11.631 -1.899 -12.134 1.00 0.00 C ATOM 1648 C GLY A 102 10.136 -2.079 -11.946 1.00 0.00 C ATOM 1649 O GLY A 102 9.473 -2.729 -12.756 1.00 0.00 O ATOM 0 H GLY A 102 12.504 -0.801 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.815 -1.015 -12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.032 -2.753 -12.680 1.00 0.00 H new ATOM 1653 N LEU A 103 9.607 -1.508 -10.867 1.00 0.00 N ATOM 1654 CA LEU A 103 8.181 -1.613 -10.558 1.00 0.00 C ATOM 1655 C LEU A 103 7.459 -0.285 -10.772 1.00 0.00 C ATOM 1656 O LEU A 103 6.542 0.061 -10.028 1.00 0.00 O ATOM 1657 CB LEU A 103 7.979 -2.087 -9.117 1.00 0.00 C ATOM 1658 CG LEU A 103 9.154 -1.816 -8.185 1.00 0.00 C ATOM 1659 CD1 LEU A 103 9.391 -0.319 -8.051 1.00 0.00 C ATOM 1660 CD2 LEU A 103 8.917 -2.451 -6.823 1.00 0.00 C ATOM 0 H LEU A 103 10.144 -0.967 -10.190 1.00 0.00 H new ATOM 0 HA LEU A 103 7.752 -2.345 -11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.092 -1.602 -8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.780 -3.159 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 103 10.048 -2.267 -8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.233 -0.142 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.611 0.104 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.498 0.156 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.767 -2.246 -6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.013 -2.034 -6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.801 -3.529 -6.939 1.00 0.00 H new