USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 882 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 53 HIS : no HE2:sc= -0.982 X(o=-5.3,f=-5.5) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -4.33! C(o=-5.3!,f=-5.9!) USER MOD Set 2.1: A 41 THR OG1 : rot -73:sc= 0.368 USER MOD Set 2.2: A 43 SER OG : rot 64:sc= 1.13 USER MOD Single : A 3 THR OG1 : rot 42:sc= 0.0192 USER MOD Single : A 4 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.71) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0301 (180deg=-0.526) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 115:sc= 1.08 USER MOD Single : A 14 ASN : amide:sc= -0.981 K(o=-0.98,f=-3.6!) USER MOD Single : A 17 HIS : no HE2:sc= 0.289 K(o=0.29,f=-5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.45! C(o=-3.5!,f=-5.3!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 97:sc= 1.16 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.35 X(o=-2.3,f=-2.1) USER MOD Single : A 38 LYS NZ :NH3+ 143:sc= -0.196 (180deg=-0.916) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 127:sc= 0.00647 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 28:sc= -1.57! USER MOD Single : A 55 ASN : amide:sc= -0.462 K(o=-0.46,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= -0.591 K(o=-0.59,f=-2.2!) USER MOD Single : A 59 ASN : amide:sc= 0.736 K(o=0.74,f=-5.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.85! C(o=-8.8!,f=-10!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.56! C(o=-3.6!,f=-11!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0391) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc=-0.00507 USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= -0.35 (180deg=-0.514) USER MOD Single : A 111 ASN : amide:sc= -5.29! C(o=-5.3!,f=-4.4!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 89:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -5.476 -2.201 15.107 1.00 0.00 N ATOM 32 CA THR A 3 -5.997 -3.525 15.401 1.00 0.00 C ATOM 33 C THR A 3 -6.111 -4.351 14.118 1.00 0.00 C ATOM 34 O THR A 3 -5.784 -5.537 14.108 1.00 0.00 O ATOM 35 CB THR A 3 -7.328 -3.357 16.137 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.949 -3.005 17.464 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.077 -4.680 16.301 1.00 0.00 C ATOM 0 HA THR A 3 -5.320 -4.082 16.049 1.00 0.00 H new ATOM 0 HB THR A 3 -7.956 -2.650 15.595 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.210 -2.362 17.433 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.014 -4.505 16.829 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.288 -5.103 15.319 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.464 -5.377 16.872 1.00 0.00 H new ATOM 45 N ASN A 4 -6.577 -3.692 13.068 1.00 0.00 N ATOM 46 CA ASN A 4 -6.740 -4.350 11.783 1.00 0.00 C ATOM 47 C ASN A 4 -5.382 -4.431 11.082 1.00 0.00 C ATOM 48 O ASN A 4 -4.990 -5.494 10.602 1.00 0.00 O ATOM 49 CB ASN A 4 -7.693 -3.566 10.879 1.00 0.00 C ATOM 50 CG ASN A 4 -8.719 -2.789 11.706 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.113 -1.683 11.375 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.129 -3.429 12.798 1.00 0.00 N ATOM 0 H ASN A 4 -6.847 -2.708 13.081 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.150 -5.344 11.962 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.124 -2.875 10.257 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.208 -4.252 10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.814 -2.995 13.417 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.758 -4.354 13.017 1.00 0.00 H new ATOM 59 N ALA A 5 -4.702 -3.295 11.044 1.00 0.00 N ATOM 60 CA ALA A 5 -3.397 -3.224 10.409 1.00 0.00 C ATOM 61 C ALA A 5 -2.504 -4.336 10.964 1.00 0.00 C ATOM 62 O ALA A 5 -1.858 -5.055 10.203 1.00 0.00 O ATOM 63 CB ALA A 5 -2.799 -1.833 10.626 1.00 0.00 C ATOM 0 H ALA A 5 -5.030 -2.416 11.443 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.484 -3.377 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.820 -1.779 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.457 -1.082 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.693 -1.645 11.694 1.00 0.00 H new ATOM 69 N GLU A 6 -2.498 -4.442 12.284 1.00 0.00 N ATOM 70 CA GLU A 6 -1.695 -5.454 12.949 1.00 0.00 C ATOM 71 C GLU A 6 -1.996 -6.837 12.368 1.00 0.00 C ATOM 72 O GLU A 6 -1.081 -7.580 12.017 1.00 0.00 O ATOM 73 CB GLU A 6 -1.928 -5.432 14.461 1.00 0.00 C ATOM 74 CG GLU A 6 -1.128 -6.537 15.155 1.00 0.00 C ATOM 75 CD GLU A 6 0.321 -6.555 14.667 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.111 -5.749 15.205 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.607 -7.373 13.766 1.00 0.00 O ATOM 0 H GLU A 6 -3.036 -3.844 12.911 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.643 -5.229 12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.639 -4.461 14.863 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.990 -5.560 14.671 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.150 -6.384 16.234 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.593 -7.504 14.961 1.00 0.00 H new ATOM 84 N LYS A 7 -3.283 -7.141 12.284 1.00 0.00 N ATOM 85 CA LYS A 7 -3.716 -8.422 11.752 1.00 0.00 C ATOM 86 C LYS A 7 -3.078 -8.640 10.379 1.00 0.00 C ATOM 87 O LYS A 7 -2.451 -9.671 10.139 1.00 0.00 O ATOM 88 CB LYS A 7 -5.244 -8.508 11.741 1.00 0.00 C ATOM 89 CG LYS A 7 -5.713 -9.845 11.163 1.00 0.00 C ATOM 90 CD LYS A 7 -5.560 -9.868 9.641 1.00 0.00 C ATOM 91 CE LYS A 7 -6.899 -10.160 8.960 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.990 -11.589 8.586 1.00 0.00 N ATOM 0 H LYS A 7 -4.040 -6.522 12.575 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.378 -9.236 12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.626 -8.392 12.755 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.654 -7.689 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.135 -10.658 11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.756 -10.015 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.174 -8.909 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.830 -10.626 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.719 -9.901 9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.005 -9.538 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.984 -11.840 8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.435 -11.758 7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.615 -12.175 9.359 1.00 0.00 H new ATOM 106 N LEU A 8 -3.260 -7.654 9.513 1.00 0.00 N ATOM 107 CA LEU A 8 -2.711 -7.726 8.170 1.00 0.00 C ATOM 108 C LEU A 8 -1.222 -8.068 8.251 1.00 0.00 C ATOM 109 O LEU A 8 -0.764 -9.017 7.616 1.00 0.00 O ATOM 110 CB LEU A 8 -3.003 -6.435 7.402 1.00 0.00 C ATOM 111 CG LEU A 8 -4.466 -6.200 7.018 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.578 -5.179 5.885 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.161 -7.519 6.673 1.00 0.00 C ATOM 0 H LEU A 8 -3.780 -6.800 9.716 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.193 -8.523 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.666 -5.592 8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.404 -6.434 6.491 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.983 -5.780 7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.628 -5.030 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.144 -4.232 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.042 -5.546 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.199 -7.324 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.651 -7.990 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.129 -8.184 7.536 1.00 0.00 H new ATOM 125 N VAL A 9 -0.507 -7.277 9.038 1.00 0.00 N ATOM 126 CA VAL A 9 0.921 -7.485 9.210 1.00 0.00 C ATOM 127 C VAL A 9 1.163 -8.881 9.787 1.00 0.00 C ATOM 128 O VAL A 9 2.126 -9.568 9.454 1.00 0.00 O ATOM 129 CB VAL A 9 1.512 -6.370 10.075 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.007 -6.594 10.312 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.255 -4.997 9.451 1.00 0.00 C ATOM 0 H VAL A 9 -0.890 -6.491 9.564 1.00 0.00 H new ATOM 0 HA VAL A 9 1.432 -7.438 8.248 1.00 0.00 H new ATOM 0 HB VAL A 9 1.012 -6.396 11.043 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.402 -5.787 10.929 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.156 -7.547 10.820 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.529 -6.608 9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.685 -4.222 10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.715 -4.954 8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.181 -4.835 9.358 1.00 0.00 H new ATOM 141 N TYR A 10 0.252 -9.291 10.673 1.00 0.00 N ATOM 142 CA TYR A 10 0.339 -10.588 11.312 1.00 0.00 C ATOM 143 C TYR A 10 -0.188 -11.663 10.373 1.00 0.00 C ATOM 144 O TYR A 10 -0.311 -12.813 10.793 1.00 0.00 O ATOM 145 CB TYR A 10 -0.460 -10.568 12.613 1.00 0.00 C ATOM 146 CG TYR A 10 0.094 -11.486 13.675 1.00 0.00 C ATOM 147 CD1 TYR A 10 -0.345 -12.813 13.752 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.047 -11.011 14.584 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.169 -13.665 14.737 1.00 0.00 C ATOM 150 CE2 TYR A 10 1.561 -11.863 15.569 1.00 0.00 C ATOM 151 CZ TYR A 10 1.122 -13.190 15.645 1.00 0.00 C ATOM 152 OH TYR A 10 1.623 -14.020 16.605 1.00 0.00 O ATOM 0 H TYR A 10 -0.554 -8.735 10.959 1.00 0.00 H new ATOM 0 HA TYR A 10 1.380 -10.814 11.543 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.483 -9.549 13.000 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.491 -10.851 12.401 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.080 -13.180 13.051 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.386 -9.987 14.525 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.170 -14.689 14.796 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.296 -11.496 16.270 1.00 0.00 H new ATOM 0 HH TYR A 10 2.275 -13.533 17.151 1.00 0.00 H new ATOM 162 N LYS A 11 -0.484 -11.280 9.139 1.00 0.00 N ATOM 163 CA LYS A 11 -0.993 -12.228 8.163 1.00 0.00 C ATOM 164 C LYS A 11 -0.035 -12.292 6.972 1.00 0.00 C ATOM 165 O LYS A 11 0.715 -13.249 6.789 1.00 0.00 O ATOM 166 CB LYS A 11 -2.432 -11.877 7.776 1.00 0.00 C ATOM 167 CG LYS A 11 -3.434 -12.708 8.581 1.00 0.00 C ATOM 168 CD LYS A 11 -3.338 -14.190 8.214 1.00 0.00 C ATOM 169 CE LYS A 11 -4.647 -14.918 8.526 1.00 0.00 C ATOM 170 NZ LYS A 11 -4.469 -15.834 9.675 1.00 0.00 N ATOM 0 H LYS A 11 -0.381 -10.326 8.793 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.037 -13.229 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.611 -10.816 7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.580 -12.054 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.244 -12.581 9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.445 -12.348 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.105 -14.291 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.520 -14.653 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.429 -14.193 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.974 -15.481 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.367 -16.320 9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.737 -16.537 9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.178 -15.289 10.512 1.00 0.00 H new ATOM 184 N TYR A 12 -0.076 -11.237 6.157 1.00 0.00 N ATOM 185 CA TYR A 12 0.768 -11.146 4.983 1.00 0.00 C ATOM 186 C TYR A 12 2.194 -11.542 5.341 1.00 0.00 C ATOM 187 O TYR A 12 2.936 -11.956 4.452 1.00 0.00 O ATOM 188 CB TYR A 12 0.724 -9.722 4.435 1.00 0.00 C ATOM 189 CG TYR A 12 -0.608 -9.352 3.828 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.935 -9.788 2.538 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.516 -8.572 4.554 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.170 -9.445 1.975 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.751 -8.229 3.991 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.078 -8.665 2.702 1.00 0.00 C ATOM 195 OH TYR A 12 -4.282 -8.332 2.153 1.00 0.00 O ATOM 0 H TYR A 12 -0.690 -10.435 6.296 1.00 0.00 H new ATOM 0 HA TYR A 12 0.404 -11.829 4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.954 -9.024 5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.503 -9.607 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.234 -10.389 1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.264 -8.235 5.549 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.422 -9.782 0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.452 -7.628 4.552 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.793 -7.789 2.789 1.00 0.00 H new ATOM 205 N THR A 13 2.545 -11.410 6.611 1.00 0.00 N ATOM 206 CA THR A 13 3.882 -11.760 7.058 1.00 0.00 C ATOM 207 C THR A 13 4.037 -13.280 7.139 1.00 0.00 C ATOM 208 O THR A 13 4.963 -13.845 6.560 1.00 0.00 O ATOM 209 CB THR A 13 4.136 -11.052 8.391 1.00 0.00 C ATOM 210 OG1 THR A 13 4.144 -9.667 8.052 1.00 0.00 O ATOM 211 CG2 THR A 13 5.543 -11.311 8.933 1.00 0.00 C ATOM 0 H THR A 13 1.926 -11.065 7.345 1.00 0.00 H new ATOM 0 HA THR A 13 4.637 -11.425 6.346 1.00 0.00 H new ATOM 0 HB THR A 13 3.399 -11.381 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.383 -9.221 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.671 -10.786 9.880 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.681 -12.381 9.090 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.281 -10.951 8.216 1.00 0.00 H new ATOM 219 N ASN A 14 3.115 -13.899 7.863 1.00 0.00 N ATOM 220 CA ASN A 14 3.138 -15.342 8.027 1.00 0.00 C ATOM 221 C ASN A 14 3.128 -16.008 6.649 1.00 0.00 C ATOM 222 O ASN A 14 3.990 -16.833 6.349 1.00 0.00 O ATOM 223 CB ASN A 14 1.907 -15.828 8.795 1.00 0.00 C ATOM 224 CG ASN A 14 1.878 -17.356 8.874 1.00 0.00 C ATOM 225 OD1 ASN A 14 1.820 -18.054 7.875 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.920 -17.834 10.114 1.00 0.00 N ATOM 0 H ASN A 14 2.348 -13.427 8.342 1.00 0.00 H new ATOM 0 HA ASN A 14 4.038 -15.604 8.583 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.912 -15.408 9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.002 -15.468 8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.904 -18.841 10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.968 -17.193 10.906 1.00 0.00 H new ATOM 233 N ILE A 15 2.145 -15.625 5.848 1.00 0.00 N ATOM 234 CA ILE A 15 2.013 -16.174 4.510 1.00 0.00 C ATOM 235 C ILE A 15 3.356 -16.069 3.785 1.00 0.00 C ATOM 236 O ILE A 15 3.821 -17.040 3.189 1.00 0.00 O ATOM 237 CB ILE A 15 0.858 -15.500 3.766 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.487 -16.102 4.180 1.00 0.00 C ATOM 239 CG2 ILE A 15 1.071 -15.561 2.252 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.543 -15.010 4.361 1.00 0.00 C ATOM 0 H ILE A 15 1.432 -14.941 6.100 1.00 0.00 H new ATOM 0 HA ILE A 15 1.758 -17.233 4.556 1.00 0.00 H new ATOM 0 HB ILE A 15 0.840 -14.447 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.820 -16.813 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.370 -16.658 5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.236 -15.075 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.998 -15.049 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.131 -16.602 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.489 -15.464 4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.218 -14.315 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.675 -14.472 3.422 1.00 0.00 H new ATOM 252 N ALA A 16 3.941 -14.883 3.859 1.00 0.00 N ATOM 253 CA ALA A 16 5.222 -14.639 3.218 1.00 0.00 C ATOM 254 C ALA A 16 6.273 -15.579 3.812 1.00 0.00 C ATOM 255 O ALA A 16 7.053 -16.185 3.080 1.00 0.00 O ATOM 256 CB ALA A 16 5.601 -13.165 3.378 1.00 0.00 C ATOM 0 H ALA A 16 3.552 -14.080 4.353 1.00 0.00 H new ATOM 0 HA ALA A 16 5.161 -14.846 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.562 -12.982 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.838 -12.541 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.673 -12.921 4.438 1.00 0.00 H new ATOM 262 N HIS A 17 6.259 -15.670 5.134 1.00 0.00 N ATOM 263 CA HIS A 17 7.201 -16.526 5.835 1.00 0.00 C ATOM 264 C HIS A 17 6.942 -17.987 5.462 1.00 0.00 C ATOM 265 O HIS A 17 7.864 -18.802 5.453 1.00 0.00 O ATOM 266 CB HIS A 17 7.140 -16.279 7.344 1.00 0.00 C ATOM 267 CG HIS A 17 8.262 -16.929 8.118 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.581 -16.523 8.011 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.248 -17.960 9.011 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.318 -17.282 8.808 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.491 -18.172 9.426 1.00 0.00 N ATOM 0 H HIS A 17 5.610 -15.165 5.738 1.00 0.00 H new ATOM 0 HA HIS A 17 8.218 -16.284 5.527 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.161 -15.205 7.527 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.188 -16.649 7.724 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.927 -15.768 7.419 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.374 -18.510 9.327 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.387 -17.209 8.944 1.00 0.00 H new ATOM 279 N SER A 18 5.683 -18.275 5.165 1.00 0.00 N ATOM 280 CA SER A 18 5.292 -19.624 4.793 1.00 0.00 C ATOM 281 C SER A 18 5.822 -19.956 3.396 1.00 0.00 C ATOM 282 O SER A 18 5.902 -21.125 3.021 1.00 0.00 O ATOM 283 CB SER A 18 3.771 -19.787 4.836 1.00 0.00 C ATOM 284 OG SER A 18 3.362 -21.086 4.417 1.00 0.00 O ATOM 0 H SER A 18 4.921 -17.597 5.174 1.00 0.00 H new ATOM 0 HA SER A 18 5.726 -20.317 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.415 -19.604 5.850 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.308 -19.037 4.195 1.00 0.00 H new ATOM 0 HG SER A 18 2.385 -21.151 4.460 1.00 0.00 H new ATOM 290 N ALA A 19 6.170 -18.907 2.665 1.00 0.00 N ATOM 291 CA ALA A 19 6.690 -19.073 1.319 1.00 0.00 C ATOM 292 C ALA A 19 8.210 -18.900 1.339 1.00 0.00 C ATOM 293 O ALA A 19 8.904 -19.368 0.437 1.00 0.00 O ATOM 294 CB ALA A 19 6.003 -18.080 0.380 1.00 0.00 C ATOM 0 H ALA A 19 6.102 -17.939 2.980 1.00 0.00 H new ATOM 0 HA ALA A 19 6.477 -20.075 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.393 -18.205 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.929 -18.264 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.197 -17.063 0.721 1.00 0.00 H new ATOM 300 N ASN A 20 8.683 -18.226 2.377 1.00 0.00 N ATOM 301 CA ASN A 20 10.108 -17.986 2.526 1.00 0.00 C ATOM 302 C ASN A 20 10.467 -17.981 4.014 1.00 0.00 C ATOM 303 O ASN A 20 9.978 -17.174 4.800 1.00 0.00 O ATOM 304 CB ASN A 20 10.502 -16.628 1.940 1.00 0.00 C ATOM 305 CG ASN A 20 12.014 -16.411 2.027 1.00 0.00 C ATOM 306 OD1 ASN A 20 12.495 -15.392 2.495 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.734 -17.423 1.552 1.00 0.00 N ATOM 0 H ASN A 20 8.105 -17.839 3.123 1.00 0.00 H new ATOM 0 HA ASN A 20 10.640 -18.776 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.182 -16.570 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.985 -15.833 2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.753 -17.375 1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.268 -18.248 1.174 1.00 0.00 H new ATOM 314 N PRO A 21 11.346 -18.914 4.385 1.00 0.00 N ATOM 315 CA PRO A 21 11.827 -19.090 5.738 1.00 0.00 C ATOM 316 C PRO A 21 12.969 -18.119 6.004 1.00 0.00 C ATOM 317 O PRO A 21 13.867 -18.456 6.775 1.00 0.00 O ATOM 318 CB PRO A 21 12.313 -20.536 5.797 1.00 0.00 C ATOM 319 CG PRO A 21 12.807 -20.767 4.377 1.00 0.00 C ATOM 320 CD PRO A 21 11.942 -19.879 3.486 1.00 0.00 C ATOM 0 HA PRO A 21 11.061 -18.895 6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.108 -20.669 6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.512 -21.224 6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.861 -20.507 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.711 -21.816 4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.540 -19.387 2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.179 -20.462 2.970 1.00 0.00 H new ATOM 328 N MET A 22 12.919 -16.956 5.373 1.00 0.00 N ATOM 329 CA MET A 22 13.961 -15.959 5.556 1.00 0.00 C ATOM 330 C MET A 22 13.363 -14.555 5.663 1.00 0.00 C ATOM 331 O MET A 22 13.970 -13.556 5.282 1.00 0.00 O ATOM 332 CB MET A 22 14.932 -16.013 4.375 1.00 0.00 C ATOM 333 CG MET A 22 15.481 -17.428 4.180 1.00 0.00 C ATOM 334 SD MET A 22 17.257 -17.376 4.016 1.00 0.00 S ATOM 335 CE MET A 22 17.728 -17.369 5.738 1.00 0.00 C ATOM 0 H MET A 22 12.173 -16.681 4.734 1.00 0.00 H new ATOM 0 HA MET A 22 14.491 -16.179 6.483 1.00 0.00 H new ATOM 0 HB2 MET A 22 14.424 -15.688 3.467 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.756 -15.320 4.545 1.00 0.00 H new ATOM 0 HG2 MET A 22 15.204 -18.055 5.028 1.00 0.00 H new ATOM 0 HG3 MET A 22 15.039 -17.880 3.292 1.00 0.00 H new ATOM 0 HE1 MET A 22 18.815 -17.338 5.818 1.00 0.00 H new ATOM 0 HE2 MET A 22 17.303 -16.493 6.228 1.00 0.00 H new ATOM 0 HE3 MET A 22 17.354 -18.272 6.221 1.00 0.00 H new ATOM 345 N TYR A 23 12.142 -14.500 6.199 1.00 0.00 N ATOM 346 CA TYR A 23 11.438 -13.245 6.367 1.00 0.00 C ATOM 347 C TYR A 23 10.555 -13.311 7.605 1.00 0.00 C ATOM 348 O TYR A 23 9.585 -14.068 7.604 1.00 0.00 O ATOM 349 CB TYR A 23 10.603 -12.960 5.122 1.00 0.00 C ATOM 350 CG TYR A 23 9.875 -11.638 5.174 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.589 -10.441 5.044 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.487 -11.611 5.352 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.913 -9.215 5.093 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.812 -10.385 5.401 1.00 0.00 C ATOM 355 CZ TYR A 23 8.525 -9.187 5.271 1.00 0.00 C ATOM 356 OH TYR A 23 7.867 -7.993 5.319 1.00 0.00 O ATOM 0 H TYR A 23 11.626 -15.318 6.523 1.00 0.00 H new ATOM 0 HA TYR A 23 12.156 -12.436 6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.253 -12.973 4.247 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.876 -13.761 4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.660 -10.463 4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.937 -12.535 5.451 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.463 -8.291 4.993 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.741 -10.364 5.539 1.00 0.00 H new ATOM 0 HH TYR A 23 6.909 -8.153 5.446 1.00 0.00 H new ATOM 366 N GLU A 24 10.898 -12.532 8.621 1.00 0.00 N ATOM 367 CA GLU A 24 10.122 -12.519 9.849 1.00 0.00 C ATOM 368 C GLU A 24 9.097 -11.383 9.818 1.00 0.00 C ATOM 369 O GLU A 24 7.921 -11.594 10.111 1.00 0.00 O ATOM 370 CB GLU A 24 11.033 -12.402 11.072 1.00 0.00 C ATOM 371 CG GLU A 24 11.717 -13.736 11.376 1.00 0.00 C ATOM 372 CD GLU A 24 11.035 -14.449 12.545 1.00 0.00 C ATOM 373 OE1 GLU A 24 11.018 -13.852 13.643 1.00 0.00 O ATOM 374 OE2 GLU A 24 10.545 -15.576 12.314 1.00 0.00 O ATOM 0 H GLU A 24 11.703 -11.906 8.618 1.00 0.00 H new ATOM 0 HA GLU A 24 9.585 -13.464 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.787 -11.635 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.449 -12.084 11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.690 -14.372 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.767 -13.564 11.613 1.00 0.00 H new ATOM 381 N ALA A 25 9.581 -10.202 9.460 1.00 0.00 N ATOM 382 CA ALA A 25 8.723 -9.033 9.387 1.00 0.00 C ATOM 383 C ALA A 25 9.392 -7.967 8.517 1.00 0.00 C ATOM 384 O ALA A 25 10.523 -8.115 8.059 1.00 0.00 O ATOM 385 CB ALA A 25 8.425 -8.528 10.800 1.00 0.00 C ATOM 0 H ALA A 25 10.557 -10.031 9.217 1.00 0.00 H new ATOM 0 HA ALA A 25 7.770 -9.287 8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.781 -7.650 10.744 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.923 -9.311 11.368 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.359 -8.262 11.296 1.00 0.00 H new ATOM 391 N PRO A 26 8.658 -6.875 8.297 1.00 0.00 N ATOM 392 CA PRO A 26 9.093 -5.744 7.505 1.00 0.00 C ATOM 393 C PRO A 26 10.185 -4.990 8.251 1.00 0.00 C ATOM 394 O PRO A 26 10.562 -5.415 9.342 1.00 0.00 O ATOM 395 CB PRO A 26 7.846 -4.879 7.338 1.00 0.00 C ATOM 396 CG PRO A 26 6.626 -5.790 7.784 1.00 0.00 C ATOM 397 CD PRO A 26 7.325 -6.668 8.820 1.00 0.00 C ATOM 0 HA PRO A 26 9.509 -6.036 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.908 -3.980 7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.732 -4.552 6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.807 -5.212 8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.212 -6.368 6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.355 -6.181 9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.802 -7.615 8.953 1.00 0.00 H new ATOM 405 N SER A 27 10.666 -3.905 7.661 1.00 0.00 N ATOM 406 CA SER A 27 11.711 -3.114 8.288 1.00 0.00 C ATOM 407 C SER A 27 11.397 -1.623 8.144 1.00 0.00 C ATOM 408 O SER A 27 12.300 -0.789 8.169 1.00 0.00 O ATOM 409 CB SER A 27 13.079 -3.428 7.680 1.00 0.00 C ATOM 410 OG SER A 27 14.072 -3.639 8.681 1.00 0.00 O ATOM 0 H SER A 27 10.351 -3.556 6.756 1.00 0.00 H new ATOM 0 HA SER A 27 11.745 -3.371 9.347 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.002 -4.316 7.053 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.385 -2.606 7.033 1.00 0.00 H new ATOM 0 HG SER A 27 14.931 -3.838 8.253 1.00 0.00 H new ATOM 416 N ILE A 28 10.112 -1.334 7.996 1.00 0.00 N ATOM 417 CA ILE A 28 9.667 0.042 7.848 1.00 0.00 C ATOM 418 C ILE A 28 10.710 0.827 7.051 1.00 0.00 C ATOM 419 O ILE A 28 10.948 2.003 7.323 1.00 0.00 O ATOM 420 CB ILE A 28 9.349 0.652 9.214 1.00 0.00 C ATOM 421 CG1 ILE A 28 10.575 0.617 10.129 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.138 -0.032 9.852 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.528 1.771 9.814 1.00 0.00 C ATOM 0 H ILE A 28 9.365 -2.029 7.975 1.00 0.00 H new ATOM 0 HA ILE A 28 8.736 0.083 7.283 1.00 0.00 H new ATOM 0 HB ILE A 28 9.086 1.700 9.067 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.258 0.677 11.170 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.096 -0.333 10.008 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.934 0.421 10.822 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.269 0.089 9.205 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.347 -1.094 9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.391 1.722 10.479 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.862 1.695 8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.011 2.720 9.959 1.00 0.00 H new ATOM 435 N THR A 29 11.305 0.146 6.083 1.00 0.00 N ATOM 436 CA THR A 29 12.318 0.766 5.244 1.00 0.00 C ATOM 437 C THR A 29 11.963 0.596 3.766 1.00 0.00 C ATOM 438 O THR A 29 11.808 1.580 3.044 1.00 0.00 O ATOM 439 CB THR A 29 13.674 0.163 5.617 1.00 0.00 C ATOM 440 OG1 THR A 29 13.910 0.631 6.942 1.00 0.00 O ATOM 441 CG2 THR A 29 14.823 0.758 4.801 1.00 0.00 C ATOM 0 H THR A 29 11.105 -0.829 5.860 1.00 0.00 H new ATOM 0 HA THR A 29 12.367 1.842 5.412 1.00 0.00 H new ATOM 0 HB THR A 29 13.644 -0.916 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.633 -0.054 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.762 0.296 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.652 0.570 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.874 1.833 4.975 1.00 0.00 H new ATOM 449 N ASP A 30 11.844 -0.659 3.359 1.00 0.00 N ATOM 450 CA ASP A 30 11.510 -0.970 1.980 1.00 0.00 C ATOM 451 C ASP A 30 10.174 -0.316 1.623 1.00 0.00 C ATOM 452 O ASP A 30 9.839 -0.181 0.447 1.00 0.00 O ATOM 453 CB ASP A 30 11.367 -2.480 1.775 1.00 0.00 C ATOM 454 CG ASP A 30 12.465 -3.124 0.925 1.00 0.00 C ATOM 455 OD1 ASP A 30 13.351 -2.367 0.474 1.00 0.00 O ATOM 456 OD2 ASP A 30 12.392 -4.359 0.746 1.00 0.00 O ATOM 0 H ASP A 30 11.973 -1.473 3.960 1.00 0.00 H new ATOM 0 HA ASP A 30 12.313 -0.594 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.353 -2.964 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.403 -2.678 1.307 1.00 0.00 H new ATOM 461 N GLY A 31 9.447 0.074 2.659 1.00 0.00 N ATOM 462 CA GLY A 31 8.155 0.711 2.470 1.00 0.00 C ATOM 463 C GLY A 31 8.316 2.114 1.882 1.00 0.00 C ATOM 464 O GLY A 31 7.970 3.104 2.525 1.00 0.00 O ATOM 0 H GLY A 31 9.728 -0.039 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.540 0.103 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.632 0.771 3.424 1.00 0.00 H new ATOM 468 N LYS A 32 8.843 2.155 0.667 1.00 0.00 N ATOM 469 CA LYS A 32 9.055 3.421 -0.014 1.00 0.00 C ATOM 470 C LYS A 32 9.654 3.157 -1.397 1.00 0.00 C ATOM 471 O LYS A 32 9.193 3.712 -2.394 1.00 0.00 O ATOM 472 CB LYS A 32 9.896 4.361 0.851 1.00 0.00 C ATOM 473 CG LYS A 32 11.151 3.654 1.368 1.00 0.00 C ATOM 474 CD LYS A 32 12.416 4.279 0.776 1.00 0.00 C ATOM 475 CE LYS A 32 13.672 3.630 1.360 1.00 0.00 C ATOM 476 NZ LYS A 32 14.396 4.588 2.225 1.00 0.00 N ATOM 0 H LYS A 32 9.129 1.332 0.137 1.00 0.00 H new ATOM 0 HA LYS A 32 8.106 3.933 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.181 5.238 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.301 4.716 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.185 3.716 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.109 2.596 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.412 4.161 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.427 5.350 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.398 2.746 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.324 3.295 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.246 4.131 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.675 5.419 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.777 4.888 3.005 1.00 0.00 H new ATOM 490 N ILE A 33 10.671 2.309 -1.414 1.00 0.00 N ATOM 491 CA ILE A 33 11.338 1.964 -2.658 1.00 0.00 C ATOM 492 C ILE A 33 10.339 1.281 -3.595 1.00 0.00 C ATOM 493 O ILE A 33 10.325 1.550 -4.795 1.00 0.00 O ATOM 494 CB ILE A 33 12.591 1.130 -2.382 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.592 1.911 -1.527 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.217 0.632 -3.686 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.725 1.004 -1.043 1.00 0.00 C ATOM 0 H ILE A 33 11.050 1.850 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 33 11.688 2.864 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 33 12.296 0.250 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.005 2.736 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.080 2.348 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.106 0.042 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.497 0.014 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.495 1.485 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.422 1.584 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.311 0.193 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.250 0.588 -1.903 1.00 0.00 H new ATOM 509 N PHE A 34 9.529 0.411 -3.010 1.00 0.00 N ATOM 510 CA PHE A 34 8.529 -0.313 -3.778 1.00 0.00 C ATOM 511 C PHE A 34 7.335 0.585 -4.106 1.00 0.00 C ATOM 512 O PHE A 34 6.470 0.209 -4.897 1.00 0.00 O ATOM 513 CB PHE A 34 8.054 -1.477 -2.907 1.00 0.00 C ATOM 514 CG PHE A 34 6.689 -2.039 -3.310 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.534 -2.649 -4.516 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.630 -1.928 -2.463 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.267 -3.170 -4.890 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.364 -2.449 -2.838 1.00 0.00 C ATOM 519 CZ PHE A 34 4.209 -3.059 -4.043 1.00 0.00 C ATOM 0 H PHE A 34 9.544 0.191 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 34 8.959 -0.658 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.793 -2.277 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.007 -1.146 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.374 -2.737 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.753 -1.444 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.144 -3.654 -5.847 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.523 -2.361 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.246 -3.455 -4.328 1.00 0.00 H new ATOM 529 N PHE A 35 7.324 1.753 -3.482 1.00 0.00 N ATOM 530 CA PHE A 35 6.250 2.707 -3.698 1.00 0.00 C ATOM 531 C PHE A 35 6.756 3.944 -4.443 1.00 0.00 C ATOM 532 O PHE A 35 6.037 4.934 -4.571 1.00 0.00 O ATOM 533 CB PHE A 35 5.743 3.131 -2.318 1.00 0.00 C ATOM 534 CG PHE A 35 4.653 4.203 -2.357 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.402 3.886 -2.788 1.00 0.00 C ATOM 536 CD2 PHE A 35 4.934 5.473 -1.961 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.391 4.882 -2.824 1.00 0.00 C ATOM 538 CE2 PHE A 35 3.922 6.469 -1.998 1.00 0.00 C ATOM 539 CZ PHE A 35 2.672 6.152 -2.428 1.00 0.00 C ATOM 0 H PHE A 35 8.042 2.061 -2.826 1.00 0.00 H new ATOM 0 HA PHE A 35 5.463 2.250 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.357 2.254 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.583 3.503 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.178 2.877 -3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.927 5.725 -1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.398 4.631 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.146 7.478 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.902 6.909 -2.455 1.00 0.00 H new ATOM 549 N ASN A 36 7.990 3.847 -4.916 1.00 0.00 N ATOM 550 CA ASN A 36 8.601 4.945 -5.645 1.00 0.00 C ATOM 551 C ASN A 36 9.521 4.382 -6.730 1.00 0.00 C ATOM 552 O ASN A 36 10.485 5.033 -7.131 1.00 0.00 O ATOM 553 CB ASN A 36 9.445 5.821 -4.717 1.00 0.00 C ATOM 554 CG ASN A 36 8.572 6.837 -3.979 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.598 8.027 -4.246 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.799 6.304 -3.037 1.00 0.00 N ATOM 0 H ASN A 36 8.583 3.024 -4.808 1.00 0.00 H new ATOM 0 HA ASN A 36 7.803 5.546 -6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.968 5.194 -3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.206 6.343 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.180 6.900 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.825 5.299 -2.864 1.00 0.00 H new ATOM 563 N ARG A 37 9.191 3.178 -7.175 1.00 0.00 N ATOM 564 CA ARG A 37 9.976 2.520 -8.205 1.00 0.00 C ATOM 565 C ARG A 37 9.287 2.655 -9.565 1.00 0.00 C ATOM 566 O ARG A 37 8.439 1.837 -9.918 1.00 0.00 O ATOM 567 CB ARG A 37 10.173 1.037 -7.885 1.00 0.00 C ATOM 568 CG ARG A 37 11.081 0.368 -8.920 1.00 0.00 C ATOM 569 CD ARG A 37 12.547 0.440 -8.490 1.00 0.00 C ATOM 570 NE ARG A 37 13.000 1.849 -8.469 1.00 0.00 N ATOM 571 CZ ARG A 37 13.345 2.544 -9.561 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.291 1.965 -10.768 1.00 0.00 N ATOM 573 NH2 ARG A 37 13.743 3.818 -9.447 1.00 0.00 N ATOM 0 H ARG A 37 8.391 2.641 -6.841 1.00 0.00 H new ATOM 0 HA ARG A 37 10.952 3.005 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.608 0.930 -6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.206 0.534 -7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.787 -0.674 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.957 0.856 -9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.667 -0.004 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.165 -0.139 -9.176 1.00 0.00 H new ATOM 0 HE ARG A 37 13.053 2.321 -7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.987 0.995 -10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.554 2.494 -11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.784 4.259 -8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.006 4.347 -10.279 1.00 0.00 H new ATOM 587 N LYS A 38 9.677 3.693 -10.290 1.00 0.00 N ATOM 588 CA LYS A 38 9.108 3.945 -11.603 1.00 0.00 C ATOM 589 C LYS A 38 9.088 2.642 -12.404 1.00 0.00 C ATOM 590 O LYS A 38 10.073 2.294 -13.054 1.00 0.00 O ATOM 591 CB LYS A 38 9.852 5.085 -12.300 1.00 0.00 C ATOM 592 CG LYS A 38 9.312 5.309 -13.714 1.00 0.00 C ATOM 593 CD LYS A 38 8.329 6.480 -13.746 1.00 0.00 C ATOM 594 CE LYS A 38 9.047 7.806 -13.486 1.00 0.00 C ATOM 595 NZ LYS A 38 10.196 7.962 -14.406 1.00 0.00 N ATOM 0 H LYS A 38 10.380 4.369 -9.993 1.00 0.00 H new ATOM 0 HA LYS A 38 8.075 4.279 -11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.748 6.001 -11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.916 4.855 -12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.139 5.505 -14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.817 4.404 -14.066 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.832 6.516 -14.715 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.553 6.329 -12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.352 8.635 -13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.393 7.843 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.280 8.959 -14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.069 7.664 -13.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.048 7.373 -15.250 1.00 0.00 H new ATOM 609 N PHE A 39 7.956 1.957 -12.332 1.00 0.00 N ATOM 610 CA PHE A 39 7.795 0.700 -13.043 1.00 0.00 C ATOM 611 C PHE A 39 6.856 0.863 -14.239 1.00 0.00 C ATOM 612 O PHE A 39 6.028 1.772 -14.264 1.00 0.00 O ATOM 613 CB PHE A 39 7.180 -0.296 -12.058 1.00 0.00 C ATOM 614 CG PHE A 39 5.813 0.129 -11.517 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.704 0.000 -12.293 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.707 0.636 -10.259 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.436 0.394 -11.791 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.439 1.030 -9.757 1.00 0.00 C ATOM 619 CZ PHE A 39 3.330 0.901 -10.533 1.00 0.00 C ATOM 0 H PHE A 39 7.141 2.249 -11.792 1.00 0.00 H new ATOM 0 HA PHE A 39 8.760 0.358 -13.417 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.080 -1.264 -12.550 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.864 -0.433 -11.221 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.788 -0.402 -13.292 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.588 0.739 -9.642 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.555 0.291 -12.408 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.355 1.432 -8.758 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.365 1.201 -10.151 1.00 0.00 H new ATOM 629 N LYS A 40 7.016 -0.032 -15.203 1.00 0.00 N ATOM 630 CA LYS A 40 6.192 0.001 -16.400 1.00 0.00 C ATOM 631 C LYS A 40 5.154 -1.120 -16.330 1.00 0.00 C ATOM 632 O LYS A 40 5.463 -2.232 -15.905 1.00 0.00 O ATOM 633 CB LYS A 40 7.067 -0.048 -17.654 1.00 0.00 C ATOM 634 CG LYS A 40 7.542 1.352 -18.046 1.00 0.00 C ATOM 635 CD LYS A 40 8.100 1.362 -19.471 1.00 0.00 C ATOM 636 CE LYS A 40 9.380 2.197 -19.553 1.00 0.00 C ATOM 637 NZ LYS A 40 10.347 1.573 -20.483 1.00 0.00 N ATOM 0 H LYS A 40 7.704 -0.785 -15.180 1.00 0.00 H new ATOM 0 HA LYS A 40 5.643 0.941 -16.459 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.929 -0.692 -17.476 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.505 -0.489 -18.477 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.713 2.056 -17.971 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.309 1.688 -17.349 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.307 0.341 -19.792 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.354 1.766 -20.155 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.142 3.206 -19.890 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.826 2.288 -18.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.210 2.152 -20.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.587 0.619 -20.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.925 1.509 -21.431 1.00 0.00 H new ATOM 651 N THR A 41 3.943 -0.789 -16.753 1.00 0.00 N ATOM 652 CA THR A 41 2.856 -1.754 -16.744 1.00 0.00 C ATOM 653 C THR A 41 2.913 -2.633 -17.995 1.00 0.00 C ATOM 654 O THR A 41 3.445 -2.253 -19.036 1.00 0.00 O ATOM 655 CB THR A 41 1.542 -0.985 -16.601 1.00 0.00 C ATOM 656 OG1 THR A 41 1.446 -0.233 -17.807 1.00 0.00 O ATOM 657 CG2 THR A 41 1.602 0.078 -15.502 1.00 0.00 C ATOM 0 H THR A 41 3.690 0.135 -17.104 1.00 0.00 H new ATOM 0 HA THR A 41 2.942 -2.438 -15.900 1.00 0.00 H new ATOM 0 HB THR A 41 0.734 -1.684 -16.385 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.090 0.505 -17.784 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.644 0.594 -15.442 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.817 -0.399 -14.546 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.388 0.797 -15.734 1.00 0.00 H new ATOM 665 N PRO A 42 2.345 -3.834 -17.868 1.00 0.00 N ATOM 666 CA PRO A 42 2.282 -4.823 -18.922 1.00 0.00 C ATOM 667 C PRO A 42 1.464 -4.279 -20.084 1.00 0.00 C ATOM 668 O PRO A 42 1.421 -4.921 -21.132 1.00 0.00 O ATOM 669 CB PRO A 42 1.594 -6.030 -18.286 1.00 0.00 C ATOM 670 CG PRO A 42 0.722 -5.378 -17.127 1.00 0.00 C ATOM 671 CD PRO A 42 1.710 -4.313 -16.658 1.00 0.00 C ATOM 0 HA PRO A 42 3.263 -5.084 -19.318 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.974 -6.566 -19.005 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.317 -6.745 -17.893 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.214 -4.954 -17.491 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.465 -6.089 -16.342 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.200 -3.505 -16.133 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.442 -4.730 -15.967 1.00 0.00 H new ATOM 679 N SER A 43 0.840 -3.128 -19.884 1.00 0.00 N ATOM 680 CA SER A 43 0.031 -2.523 -20.929 1.00 0.00 C ATOM 681 C SER A 43 0.787 -1.354 -21.564 1.00 0.00 C ATOM 682 O SER A 43 0.177 -0.373 -21.988 1.00 0.00 O ATOM 683 CB SER A 43 -1.315 -2.048 -20.378 1.00 0.00 C ATOM 684 OG SER A 43 -1.280 -0.677 -19.991 1.00 0.00 O ATOM 0 H SER A 43 0.878 -2.598 -19.013 1.00 0.00 H new ATOM 0 HA SER A 43 -0.165 -3.278 -21.691 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.087 -2.192 -21.134 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.592 -2.660 -19.519 1.00 0.00 H new ATOM 0 HG SER A 43 -1.124 -0.118 -20.781 1.00 0.00 H new ATOM 690 N GLY A 44 2.103 -1.497 -21.611 1.00 0.00 N ATOM 691 CA GLY A 44 2.948 -0.466 -22.188 1.00 0.00 C ATOM 692 C GLY A 44 2.589 0.913 -21.630 1.00 0.00 C ATOM 693 O GLY A 44 1.882 1.683 -22.277 1.00 0.00 O ATOM 0 H GLY A 44 2.605 -2.312 -21.259 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.994 -0.687 -21.976 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.836 -0.464 -23.272 1.00 0.00 H new ATOM 697 N LYS A 45 3.093 1.181 -20.434 1.00 0.00 N ATOM 698 CA LYS A 45 2.835 2.454 -19.782 1.00 0.00 C ATOM 699 C LYS A 45 3.639 2.528 -18.482 1.00 0.00 C ATOM 700 O LYS A 45 3.676 1.567 -17.715 1.00 0.00 O ATOM 701 CB LYS A 45 1.331 2.660 -19.587 1.00 0.00 C ATOM 702 CG LYS A 45 1.018 4.119 -19.249 1.00 0.00 C ATOM 703 CD LYS A 45 -0.449 4.446 -19.538 1.00 0.00 C ATOM 704 CE LYS A 45 -1.334 4.105 -18.338 1.00 0.00 C ATOM 705 NZ LYS A 45 -2.635 4.804 -18.439 1.00 0.00 N ATOM 0 H LYS A 45 3.678 0.539 -19.900 1.00 0.00 H new ATOM 0 HA LYS A 45 3.168 3.279 -20.411 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.800 2.371 -20.494 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.972 2.012 -18.787 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.236 4.307 -18.198 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.663 4.777 -19.831 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.549 5.504 -19.779 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.784 3.888 -20.412 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.496 3.028 -18.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.831 4.392 -17.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.224 4.562 -17.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.476 5.832 -18.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.120 4.510 -19.311 1.00 0.00 H new ATOM 719 N GLU A 46 4.263 3.678 -18.275 1.00 0.00 N ATOM 720 CA GLU A 46 5.064 3.891 -17.082 1.00 0.00 C ATOM 721 C GLU A 46 4.222 4.551 -15.988 1.00 0.00 C ATOM 722 O GLU A 46 3.656 5.622 -16.197 1.00 0.00 O ATOM 723 CB GLU A 46 6.306 4.726 -17.397 1.00 0.00 C ATOM 724 CG GLU A 46 7.482 4.319 -16.506 1.00 0.00 C ATOM 725 CD GLU A 46 8.811 4.787 -17.104 1.00 0.00 C ATOM 726 OE1 GLU A 46 8.845 5.944 -17.574 1.00 0.00 O ATOM 727 OE2 GLU A 46 9.762 3.976 -17.076 1.00 0.00 O ATOM 0 H GLU A 46 4.230 4.472 -18.914 1.00 0.00 H new ATOM 0 HA GLU A 46 5.402 2.921 -16.717 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.578 4.598 -18.445 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.084 5.783 -17.252 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.355 4.748 -15.512 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.494 3.236 -16.386 1.00 0.00 H new ATOM 734 N ALA A 47 4.168 3.884 -14.844 1.00 0.00 N ATOM 735 CA ALA A 47 3.405 4.392 -13.717 1.00 0.00 C ATOM 736 C ALA A 47 4.224 4.227 -12.436 1.00 0.00 C ATOM 737 O ALA A 47 5.411 3.910 -12.491 1.00 0.00 O ATOM 738 CB ALA A 47 2.058 3.670 -13.645 1.00 0.00 C ATOM 0 H ALA A 47 4.640 2.996 -14.674 1.00 0.00 H new ATOM 0 HA ALA A 47 3.199 5.455 -13.842 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.486 4.051 -12.799 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.503 3.843 -14.567 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.225 2.600 -13.518 1.00 0.00 H new ATOM 744 N ALA A 48 3.558 4.449 -11.312 1.00 0.00 N ATOM 745 CA ALA A 48 4.210 4.328 -10.020 1.00 0.00 C ATOM 746 C ALA A 48 3.173 4.520 -8.911 1.00 0.00 C ATOM 747 O ALA A 48 2.154 5.178 -9.115 1.00 0.00 O ATOM 748 CB ALA A 48 5.354 5.340 -9.929 1.00 0.00 C ATOM 0 H ALA A 48 2.573 4.712 -11.270 1.00 0.00 H new ATOM 0 HA ALA A 48 4.642 3.335 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.844 5.249 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.077 5.144 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.957 6.349 -10.042 1.00 0.00 H new ATOM 754 N CYS A 49 3.469 3.932 -7.760 1.00 0.00 N ATOM 755 CA CYS A 49 2.575 4.030 -6.619 1.00 0.00 C ATOM 756 C CYS A 49 2.616 5.468 -6.098 1.00 0.00 C ATOM 757 O CYS A 49 1.833 5.839 -5.225 1.00 0.00 O ATOM 758 CB CYS A 49 2.936 3.018 -5.530 1.00 0.00 C ATOM 759 SG CYS A 49 3.197 1.308 -6.127 1.00 0.00 S ATOM 0 H CYS A 49 4.315 3.387 -7.594 1.00 0.00 H new ATOM 0 HA CYS A 49 1.559 3.786 -6.928 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.843 3.355 -5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.142 3.010 -4.784 1.00 0.00 H new ATOM 0 HG CYS A 49 4.352 0.876 -5.715 1.00 0.00 H new ATOM 764 N ALA A 50 3.539 6.239 -6.655 1.00 0.00 N ATOM 765 CA ALA A 50 3.693 7.628 -6.257 1.00 0.00 C ATOM 766 C ALA A 50 3.165 8.534 -7.372 1.00 0.00 C ATOM 767 O ALA A 50 3.291 9.755 -7.295 1.00 0.00 O ATOM 768 CB ALA A 50 5.161 7.905 -5.926 1.00 0.00 C ATOM 0 H ALA A 50 4.187 5.928 -7.378 1.00 0.00 H new ATOM 0 HA ALA A 50 3.112 7.837 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.276 8.947 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.479 7.256 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.775 7.709 -6.805 1.00 0.00 H new ATOM 774 N SER A 51 2.586 7.901 -8.381 1.00 0.00 N ATOM 775 CA SER A 51 2.039 8.635 -9.510 1.00 0.00 C ATOM 776 C SER A 51 0.601 9.063 -9.208 1.00 0.00 C ATOM 777 O SER A 51 0.080 9.985 -9.834 1.00 0.00 O ATOM 778 CB SER A 51 2.086 7.795 -10.788 1.00 0.00 C ATOM 779 OG SER A 51 2.979 8.343 -11.754 1.00 0.00 O ATOM 0 H SER A 51 2.483 6.888 -8.441 1.00 0.00 H new ATOM 0 HA SER A 51 2.650 9.523 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.396 6.779 -10.543 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.085 7.729 -11.215 1.00 0.00 H new ATOM 0 HG SER A 51 2.982 7.778 -12.554 1.00 0.00 H new ATOM 785 N CYS A 52 0.001 8.373 -8.250 1.00 0.00 N ATOM 786 CA CYS A 52 -1.366 8.670 -7.858 1.00 0.00 C ATOM 787 C CYS A 52 -1.377 9.001 -6.364 1.00 0.00 C ATOM 788 O CYS A 52 -2.012 9.962 -5.936 1.00 0.00 O ATOM 789 CB CYS A 52 -2.314 7.517 -8.194 1.00 0.00 C ATOM 790 SG CYS A 52 -2.603 7.450 -10.000 1.00 0.00 S ATOM 0 H CYS A 52 0.436 7.609 -7.733 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.730 9.529 -8.422 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.889 6.574 -7.850 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.261 7.650 -7.671 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.407 6.466 -10.275 1.00 0.00 H new ATOM 795 N HIS A 53 -0.658 8.178 -5.600 1.00 0.00 N ATOM 796 CA HIS A 53 -0.548 8.334 -4.154 1.00 0.00 C ATOM 797 C HIS A 53 0.701 9.168 -3.813 1.00 0.00 C ATOM 798 O HIS A 53 1.152 9.167 -2.669 1.00 0.00 O ATOM 799 CB HIS A 53 -0.578 6.945 -3.500 1.00 0.00 C ATOM 800 CG HIS A 53 -1.710 6.028 -3.903 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.995 6.358 -3.743 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.704 4.775 -4.468 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.760 5.351 -4.190 1.00 0.00 C ATOM 804 NE2 HIS A 53 -3.014 4.348 -4.650 1.00 0.00 N ATOM 0 H HIS A 53 -0.136 7.384 -5.970 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.394 8.889 -3.748 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.363 6.443 -3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.617 7.079 -2.419 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.338 7.233 -3.346 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.821 4.211 -4.729 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.840 5.353 -4.178 1.00 0.00 H new ATOM 812 N THR A 54 1.218 9.853 -4.823 1.00 0.00 N ATOM 813 CA THR A 54 2.397 10.682 -4.639 1.00 0.00 C ATOM 814 C THR A 54 3.506 9.885 -3.948 1.00 0.00 C ATOM 815 O THR A 54 3.272 8.779 -3.464 1.00 0.00 O ATOM 816 CB THR A 54 1.978 11.935 -3.868 1.00 0.00 C ATOM 817 OG1 THR A 54 1.384 11.428 -2.677 1.00 0.00 O ATOM 818 CG2 THR A 54 0.842 12.694 -4.557 1.00 0.00 C ATOM 0 H THR A 54 0.842 9.851 -5.771 1.00 0.00 H new ATOM 0 HA THR A 54 2.814 10.996 -5.596 1.00 0.00 H new ATOM 0 HB THR A 54 2.838 12.595 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.780 10.559 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.583 13.574 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.162 13.004 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.030 12.045 -4.642 1.00 0.00 H new ATOM 826 N ASN A 55 4.690 10.479 -3.925 1.00 0.00 N ATOM 827 CA ASN A 55 5.836 9.840 -3.301 1.00 0.00 C ATOM 828 C ASN A 55 5.472 9.433 -1.872 1.00 0.00 C ATOM 829 O ASN A 55 6.056 8.502 -1.320 1.00 0.00 O ATOM 830 CB ASN A 55 7.030 10.794 -3.233 1.00 0.00 C ATOM 831 CG ASN A 55 6.668 12.070 -2.470 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.684 12.121 -1.251 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.343 13.094 -3.253 1.00 0.00 N ATOM 0 H ASN A 55 4.880 11.396 -4.329 1.00 0.00 H new ATOM 0 HA ASN A 55 6.105 8.970 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.869 10.299 -2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.355 11.049 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.087 13.991 -2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.350 12.983 -4.267 1.00 0.00 H new ATOM 840 N ASN A 56 4.510 10.151 -1.313 1.00 0.00 N ATOM 841 CA ASN A 56 4.062 9.877 0.041 1.00 0.00 C ATOM 842 C ASN A 56 2.538 9.736 0.051 1.00 0.00 C ATOM 843 O ASN A 56 1.798 10.615 -0.386 1.00 0.00 O ATOM 844 CB ASN A 56 4.436 11.020 0.988 1.00 0.00 C ATOM 845 CG ASN A 56 4.786 10.487 2.379 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.355 9.419 2.538 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.416 11.288 3.373 1.00 0.00 N ATOM 0 H ASN A 56 4.028 10.923 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 56 4.544 8.959 0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.284 11.571 0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.606 11.722 1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.605 11.022 4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.943 12.169 3.169 1.00 0.00 H new ATOM 854 N PRO A 57 2.081 8.593 0.567 1.00 0.00 N ATOM 855 CA PRO A 57 0.679 8.251 0.677 1.00 0.00 C ATOM 856 C PRO A 57 0.028 9.105 1.755 1.00 0.00 C ATOM 857 O PRO A 57 -1.123 9.505 1.582 1.00 0.00 O ATOM 858 CB PRO A 57 0.666 6.774 1.067 1.00 0.00 C ATOM 859 CG PRO A 57 1.967 6.600 1.825 1.00 0.00 C ATOM 860 CD PRO A 57 2.922 7.538 1.090 1.00 0.00 C ATOM 0 HA PRO A 57 0.126 8.427 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.196 6.530 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.622 6.127 0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.862 6.873 2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.315 5.567 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.681 7.936 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.447 7.018 0.289 1.00 0.00 H new ATOM 868 N ALA A 58 0.758 9.365 2.829 1.00 0.00 N ATOM 869 CA ALA A 58 0.230 10.170 3.918 1.00 0.00 C ATOM 870 C ALA A 58 -0.117 11.564 3.392 1.00 0.00 C ATOM 871 O ALA A 58 -0.808 12.330 4.063 1.00 0.00 O ATOM 872 CB ALA A 58 1.246 10.214 5.060 1.00 0.00 C ATOM 0 H ALA A 58 1.712 9.032 2.969 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.685 9.729 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.850 10.818 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.437 9.202 5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.177 10.654 4.702 1.00 0.00 H new ATOM 878 N ASN A 59 0.378 11.852 2.197 1.00 0.00 N ATOM 879 CA ASN A 59 0.128 13.141 1.574 1.00 0.00 C ATOM 880 C ASN A 59 -1.112 13.040 0.684 1.00 0.00 C ATOM 881 O ASN A 59 -1.657 11.954 0.493 1.00 0.00 O ATOM 882 CB ASN A 59 1.308 13.566 0.698 1.00 0.00 C ATOM 883 CG ASN A 59 1.426 15.090 0.640 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.498 15.823 0.941 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.617 15.525 0.238 1.00 0.00 N ATOM 0 H ASN A 59 0.951 11.215 1.644 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.017 13.877 2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.231 13.141 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.180 13.169 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.797 16.527 0.167 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.351 14.857 0.001 1.00 0.00 H new ATOM 892 N VAL A 60 -1.520 14.187 0.161 1.00 0.00 N ATOM 893 CA VAL A 60 -2.685 14.242 -0.705 1.00 0.00 C ATOM 894 C VAL A 60 -2.319 13.683 -2.082 1.00 0.00 C ATOM 895 O VAL A 60 -1.341 14.115 -2.691 1.00 0.00 O ATOM 896 CB VAL A 60 -3.226 15.672 -0.765 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.379 15.781 -1.765 1.00 0.00 C ATOM 898 CG2 VAL A 60 -3.655 16.155 0.622 1.00 0.00 C ATOM 0 H VAL A 60 -1.064 15.086 0.320 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.487 13.622 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.421 16.320 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.745 16.807 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.028 15.499 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.187 15.115 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.035 17.174 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.437 15.502 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.798 16.134 1.296 1.00 0.00 H new ATOM 908 N GLY A 61 -3.123 12.731 -2.531 1.00 0.00 N ATOM 909 CA GLY A 61 -2.895 12.109 -3.824 1.00 0.00 C ATOM 910 C GLY A 61 -3.815 12.708 -4.891 1.00 0.00 C ATOM 911 O GLY A 61 -4.582 13.627 -4.608 1.00 0.00 O ATOM 0 H GLY A 61 -3.933 12.375 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.854 12.245 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.068 11.035 -3.751 1.00 0.00 H new ATOM 915 N LYS A 62 -3.707 12.163 -6.094 1.00 0.00 N ATOM 916 CA LYS A 62 -4.519 12.632 -7.203 1.00 0.00 C ATOM 917 C LYS A 62 -4.534 11.570 -8.304 1.00 0.00 C ATOM 918 O LYS A 62 -3.496 10.999 -8.634 1.00 0.00 O ATOM 919 CB LYS A 62 -4.034 14.003 -7.679 1.00 0.00 C ATOM 920 CG LYS A 62 -4.747 14.420 -8.967 1.00 0.00 C ATOM 921 CD LYS A 62 -4.218 15.761 -9.478 1.00 0.00 C ATOM 922 CE LYS A 62 -4.575 16.895 -8.515 1.00 0.00 C ATOM 923 NZ LYS A 62 -5.323 17.959 -9.221 1.00 0.00 N ATOM 0 H LYS A 62 -3.069 11.401 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.551 12.776 -6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.214 14.746 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.958 13.973 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.604 13.655 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.819 14.493 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.136 15.707 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.637 15.970 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.174 16.506 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.666 17.309 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.557 18.721 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.738 18.342 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.200 17.563 -9.616 1.00 0.00 H new ATOM 937 N ASN A 63 -5.722 11.336 -8.840 1.00 0.00 N ATOM 938 CA ASN A 63 -5.887 10.352 -9.897 1.00 0.00 C ATOM 939 C ASN A 63 -5.594 11.007 -11.248 1.00 0.00 C ATOM 940 O ASN A 63 -6.164 12.047 -11.575 1.00 0.00 O ATOM 941 CB ASN A 63 -7.319 9.816 -9.932 1.00 0.00 C ATOM 942 CG ASN A 63 -7.565 8.834 -8.785 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.649 8.331 -8.156 1.00 0.00 O ATOM 944 ND2 ASN A 63 -8.851 8.590 -8.548 1.00 0.00 N ATOM 0 H ASN A 63 -6.581 11.811 -8.562 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.199 9.529 -9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.023 10.645 -9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.502 9.320 -10.885 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.119 7.948 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.569 9.045 -9.112 1.00 0.00 H new ATOM 951 N ILE A 64 -4.705 10.371 -11.997 1.00 0.00 N ATOM 952 CA ILE A 64 -4.329 10.879 -13.306 1.00 0.00 C ATOM 953 C ILE A 64 -5.360 10.423 -14.340 1.00 0.00 C ATOM 954 O ILE A 64 -5.187 10.650 -15.536 1.00 0.00 O ATOM 955 CB ILE A 64 -2.895 10.471 -13.647 1.00 0.00 C ATOM 956 CG1 ILE A 64 -2.827 9.001 -14.065 1.00 0.00 C ATOM 957 CG2 ILE A 64 -1.946 10.781 -12.488 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.424 8.633 -14.553 1.00 0.00 C ATOM 0 H ILE A 64 -4.234 9.509 -11.723 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.335 11.969 -13.308 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.566 11.064 -14.500 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.100 8.367 -13.222 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.552 8.810 -14.856 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.933 10.481 -12.757 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.964 11.851 -12.279 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.263 10.233 -11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.404 7.583 -14.844 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.163 9.252 -15.411 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.704 8.802 -13.752 1.00 0.00 H new ATOM 970 N VAL A 65 -6.412 9.790 -13.841 1.00 0.00 N ATOM 971 CA VAL A 65 -7.471 9.300 -14.707 1.00 0.00 C ATOM 972 C VAL A 65 -8.492 10.417 -14.937 1.00 0.00 C ATOM 973 O VAL A 65 -8.806 10.750 -16.079 1.00 0.00 O ATOM 974 CB VAL A 65 -8.092 8.036 -14.111 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.333 7.611 -14.898 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.069 6.900 -14.045 1.00 0.00 C ATOM 0 H VAL A 65 -6.553 9.605 -12.848 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.070 9.020 -15.681 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.404 8.265 -13.092 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.755 6.710 -14.453 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.073 8.411 -14.870 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.056 7.409 -15.933 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.537 6.013 -13.617 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.712 6.673 -15.050 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.228 7.203 -13.421 1.00 0.00 H new ATOM 986 N THR A 66 -8.981 10.964 -13.834 1.00 0.00 N ATOM 987 CA THR A 66 -9.960 12.035 -13.902 1.00 0.00 C ATOM 988 C THR A 66 -9.331 13.361 -13.467 1.00 0.00 C ATOM 989 O THR A 66 -9.682 14.418 -13.988 1.00 0.00 O ATOM 990 CB THR A 66 -11.166 11.628 -13.053 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.622 11.424 -11.752 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.722 10.257 -13.444 1.00 0.00 C ATOM 0 H THR A 66 -8.718 10.686 -12.889 1.00 0.00 H new ATOM 0 HA THR A 66 -10.302 12.193 -14.925 1.00 0.00 H new ATOM 0 HB THR A 66 -11.950 12.379 -13.153 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.337 11.159 -11.136 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.576 10.017 -12.811 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.038 10.276 -14.487 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.949 9.500 -13.313 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.413 13.260 -12.518 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.731 14.437 -12.008 1.00 0.00 C ATOM 1002 C GLY A 67 -8.585 15.155 -10.961 1.00 0.00 C ATOM 1003 O GLY A 67 -8.571 16.382 -10.878 1.00 0.00 O ATOM 0 H GLY A 67 -8.125 12.381 -12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.777 14.147 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.509 15.118 -12.830 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.311 14.359 -10.189 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.170 14.903 -9.151 1.00 0.00 C ATOM 1009 C LYS A 68 -9.325 15.240 -7.921 1.00 0.00 C ATOM 1010 O LYS A 68 -8.750 16.324 -7.836 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.328 13.947 -8.858 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.453 14.119 -9.882 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.489 15.132 -9.392 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.703 15.168 -10.322 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.796 15.962 -9.717 1.00 0.00 N ATOM 0 H LYS A 68 -9.322 13.342 -10.262 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.631 15.832 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.969 12.918 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.713 14.132 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.036 14.450 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.935 13.158 -10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.807 14.872 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.037 16.123 -9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.420 15.600 -11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.048 14.153 -10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.612 15.976 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.077 15.533 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.468 16.935 -9.552 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.278 14.292 -6.997 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.513 14.475 -5.775 1.00 0.00 C ATOM 1031 C GLU A 69 -8.616 13.229 -4.893 1.00 0.00 C ATOM 1032 O GLU A 69 -9.714 12.808 -4.532 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.977 15.722 -5.019 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.278 15.450 -4.261 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.813 16.730 -3.615 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -11.499 17.486 -4.336 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -10.524 16.923 -2.414 1.00 0.00 O ATOM 0 H GLU A 69 -9.757 13.395 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.467 14.621 -6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.203 16.037 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.125 16.543 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.024 15.044 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.105 14.696 -3.493 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.457 12.674 -4.570 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.403 11.485 -3.737 1.00 0.00 C ATOM 1046 C ILE A 70 -6.734 11.830 -2.405 1.00 0.00 C ATOM 1047 O ILE A 70 -5.512 11.842 -2.273 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.725 10.336 -4.486 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.346 10.142 -5.871 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.754 9.049 -3.659 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.488 9.125 -5.822 1.00 0.00 C ATOM 0 H ILE A 70 -6.548 13.026 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.410 11.135 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.678 10.598 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.720 11.096 -6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.583 9.804 -6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.266 8.248 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.229 9.210 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.788 8.771 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.912 9.006 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.106 8.166 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.261 9.478 -5.139 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.575 12.116 -1.408 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.161 12.467 -0.067 1.00 0.00 C ATOM 1065 C PRO A 71 -6.144 11.452 0.436 1.00 0.00 C ATOM 1066 O PRO A 71 -5.965 10.398 -0.170 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.441 12.417 0.764 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.523 12.746 -0.236 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.017 12.111 -1.530 1.00 0.00 C ATOM 0 HA PRO A 71 -6.686 13.447 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.592 11.434 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.417 13.138 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.486 12.333 0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.657 13.822 -0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.400 11.097 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.342 12.679 -2.402 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.477 11.773 1.547 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.476 10.934 2.169 1.00 0.00 C ATOM 1079 C PRO A 72 -4.892 9.474 2.056 1.00 0.00 C ATOM 1080 O PRO A 72 -6.043 9.160 2.356 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.441 11.382 3.628 1.00 0.00 C ATOM 1082 CG PRO A 72 -4.906 12.797 3.594 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.663 13.004 2.284 1.00 0.00 C ATOM 0 HA PRO A 72 -3.496 11.023 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.091 10.765 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.436 11.304 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.551 13.008 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.059 13.480 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.720 13.200 2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.271 13.858 1.732 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.969 8.624 1.633 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.264 7.209 1.489 1.00 0.00 C ATOM 1093 C LEU A 73 -3.852 6.473 2.766 1.00 0.00 C ATOM 1094 O LEU A 73 -4.455 5.464 3.127 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.612 6.652 0.222 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.649 5.131 0.061 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.881 4.693 -0.734 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.352 4.613 -0.562 1.00 0.00 C ATOM 0 H LEU A 73 -3.015 8.888 1.385 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.336 7.055 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.102 7.101 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.571 6.974 0.201 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.730 4.685 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.883 3.608 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.783 5.011 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.856 5.148 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.405 3.529 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.215 5.065 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.510 4.876 0.079 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.829 7.009 3.415 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.330 6.416 4.645 1.00 0.00 C ATOM 1112 C ALA A 74 -3.510 5.910 5.477 1.00 0.00 C ATOM 1113 O ALA A 74 -4.283 6.677 6.047 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.482 7.442 5.399 1.00 0.00 C ATOM 0 H ALA A 74 -2.332 7.847 3.113 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.690 5.561 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.108 6.998 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.641 7.747 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.092 8.313 5.638 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.631 4.582 5.535 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.671 3.889 6.265 1.00 0.00 C ATOM 1122 C PRO A 75 -4.319 3.855 7.745 1.00 0.00 C ATOM 1123 O PRO A 75 -4.511 2.817 8.378 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.691 2.480 5.674 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.280 2.269 5.235 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.740 3.651 4.877 1.00 0.00 C ATOM 0 HA PRO A 75 -5.644 4.373 6.180 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.997 1.739 6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.387 2.404 4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.689 1.813 6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.234 1.598 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.714 3.776 5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.734 3.805 3.798 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.818 4.967 8.262 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.447 5.039 9.665 1.00 0.00 C ATOM 1136 C ARG A 76 -3.649 6.460 10.195 1.00 0.00 C ATOM 1137 O ARG A 76 -4.372 6.667 11.169 1.00 0.00 O ATOM 1138 CB ARG A 76 -1.988 4.628 9.872 1.00 0.00 C ATOM 1139 CG ARG A 76 -1.742 4.184 11.315 1.00 0.00 C ATOM 1140 CD ARG A 76 -0.713 5.086 11.999 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.354 5.841 13.098 1.00 0.00 N ATOM 1142 CZ ARG A 76 -0.900 7.010 13.572 1.00 0.00 C ATOM 1143 NH1 ARG A 76 0.200 7.564 13.045 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.546 7.624 14.572 1.00 0.00 N ATOM 0 H ARG A 76 -3.660 5.826 7.734 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.088 4.348 10.213 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.735 3.816 9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.333 5.465 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.679 4.208 11.871 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.391 3.152 11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.107 4.484 12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.284 5.777 11.274 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.194 5.447 13.522 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.692 7.096 12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.546 8.453 13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.384 7.202 14.973 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.200 8.513 14.932 1.00 0.00 H new ATOM 1158 N VAL A 77 -2.998 7.403 9.531 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.096 8.799 9.922 1.00 0.00 C ATOM 1160 C VAL A 77 -4.553 9.129 10.254 1.00 0.00 C ATOM 1161 O VAL A 77 -4.830 9.815 11.237 1.00 0.00 O ATOM 1162 CB VAL A 77 -2.516 9.693 8.825 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.002 11.135 8.978 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -0.987 9.628 8.816 1.00 0.00 C ATOM 0 H VAL A 77 -2.400 7.228 8.724 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.506 8.986 10.819 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.873 9.319 7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.575 11.749 8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.090 11.161 8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.689 11.524 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.600 10.273 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.603 9.963 9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.668 8.602 8.635 1.00 0.00 H new ATOM 1174 N ASN A 78 -5.446 8.626 9.414 1.00 0.00 N ATOM 1175 CA ASN A 78 -6.868 8.859 9.606 1.00 0.00 C ATOM 1176 C ASN A 78 -7.501 7.623 10.248 1.00 0.00 C ATOM 1177 O ASN A 78 -7.063 6.500 10.005 1.00 0.00 O ATOM 1178 CB ASN A 78 -7.570 9.109 8.270 1.00 0.00 C ATOM 1179 CG ASN A 78 -6.670 9.900 7.317 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -5.589 10.343 7.668 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.176 10.051 6.097 1.00 0.00 N ATOM 0 H ASN A 78 -5.213 8.058 8.599 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.983 9.735 10.244 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.841 8.157 7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.497 9.657 8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.652 10.564 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.088 9.654 5.870 1.00 0.00 H new ATOM 1188 N THR A 79 -8.521 7.872 11.056 1.00 0.00 N ATOM 1189 CA THR A 79 -9.219 6.793 11.735 1.00 0.00 C ATOM 1190 C THR A 79 -10.384 6.290 10.880 1.00 0.00 C ATOM 1191 O THR A 79 -11.130 5.407 11.300 1.00 0.00 O ATOM 1192 CB THR A 79 -9.651 7.302 13.111 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.307 8.537 12.835 1.00 0.00 O ATOM 1194 CG2 THR A 79 -8.462 7.701 13.988 1.00 0.00 C ATOM 0 H THR A 79 -8.881 8.805 11.256 1.00 0.00 H new ATOM 0 HA THR A 79 -8.568 5.931 11.881 1.00 0.00 H new ATOM 0 HB THR A 79 -10.233 6.531 13.616 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.621 8.935 13.674 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.824 8.055 14.953 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.815 6.837 14.138 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.899 8.496 13.498 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.502 6.873 9.696 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.564 6.495 8.778 1.00 0.00 C ATOM 1204 C LYS A 80 -10.957 5.769 7.576 1.00 0.00 C ATOM 1205 O LYS A 80 -11.288 6.074 6.431 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.405 7.716 8.399 1.00 0.00 C ATOM 1207 CG LYS A 80 -13.679 7.786 9.242 1.00 0.00 C ATOM 1208 CD LYS A 80 -13.364 8.206 10.679 1.00 0.00 C ATOM 1209 CE LYS A 80 -14.469 9.101 11.244 1.00 0.00 C ATOM 1210 NZ LYS A 80 -14.124 10.529 11.059 1.00 0.00 N ATOM 0 H LYS A 80 -9.880 7.604 9.351 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.253 5.799 9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.819 8.624 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.666 7.668 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.376 8.496 8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.172 6.814 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.253 7.320 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.412 8.736 10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.413 8.881 10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.611 8.889 12.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.884 11.123 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.234 10.738 11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.012 10.730 10.045 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.081 4.822 7.878 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.426 4.049 6.836 1.00 0.00 C ATOM 1226 C ARG A 81 -9.234 2.601 7.290 1.00 0.00 C ATOM 1227 O ARG A 81 -9.231 2.317 8.486 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.064 4.650 6.479 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.226 6.018 5.813 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.343 5.878 4.294 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.260 7.210 3.655 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.314 8.012 3.450 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.537 7.621 3.832 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.145 9.204 2.863 1.00 0.00 N ATOM 0 H ARG A 81 -9.809 4.572 8.829 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.065 4.074 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.459 4.750 7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.530 3.976 5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.113 6.515 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.372 6.650 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.548 5.235 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.288 5.400 4.036 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.343 7.538 3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.666 6.713 4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.339 8.231 3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.214 9.502 2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.947 9.814 2.707 1.00 0.00 H new ATOM 1248 N PHE A 82 -9.078 1.723 6.310 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.885 0.311 6.594 1.00 0.00 C ATOM 1250 C PHE A 82 -9.960 -0.206 7.552 1.00 0.00 C ATOM 1251 O PHE A 82 -9.691 -1.076 8.380 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.515 0.171 7.259 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.388 -0.196 6.291 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.579 -0.079 4.950 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -5.195 -0.638 6.773 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.533 -0.420 4.052 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -4.149 -0.979 5.875 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.340 -0.862 4.533 1.00 0.00 C ATOM 0 H PHE A 82 -9.081 1.962 5.318 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.949 -0.267 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.265 1.110 7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.576 -0.591 8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.526 0.273 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.043 -0.730 7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.685 -0.328 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.202 -1.331 6.257 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.544 -1.120 3.850 1.00 0.00 H new ATOM 1268 N THR A 83 -11.153 0.350 7.408 1.00 0.00 N ATOM 1269 CA THR A 83 -12.269 -0.045 8.251 1.00 0.00 C ATOM 1270 C THR A 83 -13.061 -1.176 7.593 1.00 0.00 C ATOM 1271 O THR A 83 -14.276 -1.075 7.428 1.00 0.00 O ATOM 1272 CB THR A 83 -13.111 1.201 8.535 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.176 2.141 9.056 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.104 0.989 9.680 1.00 0.00 C ATOM 0 H THR A 83 -11.372 1.071 6.720 1.00 0.00 H new ATOM 0 HA THR A 83 -11.922 -0.445 9.204 1.00 0.00 H new ATOM 0 HB THR A 83 -13.653 1.486 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.638 2.980 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.676 1.903 9.840 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.784 0.176 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.561 0.737 10.591 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.340 -2.229 7.234 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.960 -3.378 6.596 1.00 0.00 C ATOM 1284 C ASP A 84 -11.882 -4.408 6.252 1.00 0.00 C ATOM 1285 O ASP A 84 -11.301 -4.365 5.169 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.662 -2.976 5.298 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.124 -4.144 4.424 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -13.876 -5.297 4.840 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -14.716 -3.858 3.361 1.00 0.00 O ATOM 0 H ASP A 84 -11.333 -2.310 7.373 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.693 -3.793 7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.528 -2.363 5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.985 -2.351 4.715 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.648 -5.310 7.194 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.651 -6.349 7.004 1.00 0.00 C ATOM 1296 C ILE A 85 -11.307 -7.567 6.351 1.00 0.00 C ATOM 1297 O ILE A 85 -11.008 -8.705 6.710 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.947 -6.664 8.325 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -8.620 -7.386 8.081 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -10.865 -7.453 9.261 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -7.545 -6.902 9.056 1.00 0.00 C ATOM 0 H ILE A 85 -12.132 -5.342 8.091 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.869 -6.007 6.326 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.714 -5.722 8.821 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.761 -8.461 8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.291 -7.213 7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.340 -7.664 10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.759 -6.867 9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -11.150 -8.391 8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.612 -7.431 8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.389 -5.831 8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.866 -7.098 10.079 1.00 0.00 H new ATOM 1313 N ASP A 86 -12.189 -7.286 5.403 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.890 -8.345 4.696 1.00 0.00 C ATOM 1315 C ASP A 86 -12.710 -8.152 3.189 1.00 0.00 C ATOM 1316 O ASP A 86 -12.400 -9.101 2.470 1.00 0.00 O ATOM 1317 CB ASP A 86 -14.389 -8.312 5.001 1.00 0.00 C ATOM 1318 CG ASP A 86 -15.169 -9.546 4.543 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.888 -10.009 3.417 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -16.029 -9.997 5.329 1.00 0.00 O ATOM 0 H ASP A 86 -12.434 -6.341 5.108 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.476 -9.299 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.523 -8.194 6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.822 -7.431 4.527 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.913 -6.917 2.754 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.778 -6.587 1.346 1.00 0.00 C ATOM 1327 C LYS A 87 -11.319 -6.234 1.047 1.00 0.00 C ATOM 1328 O LYS A 87 -10.816 -6.524 -0.037 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.769 -5.489 0.955 1.00 0.00 C ATOM 1330 CG LYS A 87 -13.791 -5.286 -0.562 1.00 0.00 C ATOM 1331 CD LYS A 87 -14.296 -3.886 -0.920 1.00 0.00 C ATOM 1332 CE LYS A 87 -14.439 -3.726 -2.435 1.00 0.00 C ATOM 1333 NZ LYS A 87 -15.641 -4.440 -2.921 1.00 0.00 N ATOM 0 H LYS A 87 -13.170 -6.132 3.353 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.032 -7.448 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.767 -5.753 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.496 -4.555 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.789 -5.430 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.432 -6.037 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.258 -3.709 -0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.604 -3.137 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.509 -2.669 -2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.551 -4.116 -2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.809 -4.198 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.494 -5.466 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.465 -4.159 -2.353 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.681 -5.613 2.028 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.291 -5.217 1.884 1.00 0.00 C ATOM 1349 C VAL A 88 -8.471 -6.415 1.401 1.00 0.00 C ATOM 1350 O VAL A 88 -7.547 -6.259 0.605 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.774 -4.631 3.200 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.495 -5.339 3.651 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.552 -3.122 3.079 1.00 0.00 C ATOM 0 H VAL A 88 -11.102 -5.374 2.926 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.194 -4.432 1.134 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.535 -4.797 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.149 -4.903 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.699 -6.400 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.725 -5.219 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.185 -2.731 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.819 -2.924 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.494 -2.635 2.826 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.840 -7.584 1.904 1.00 0.00 N ATOM 1364 CA GLU A 89 -8.150 -8.809 1.533 1.00 0.00 C ATOM 1365 C GLU A 89 -8.595 -9.268 0.143 1.00 0.00 C ATOM 1366 O GLU A 89 -9.081 -10.387 -0.019 1.00 0.00 O ATOM 1367 CB GLU A 89 -8.383 -9.906 2.574 1.00 0.00 C ATOM 1368 CG GLU A 89 -7.490 -11.118 2.302 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.470 -12.064 3.504 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -8.556 -12.258 4.093 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -6.369 -12.573 3.808 1.00 0.00 O ATOM 0 H GLU A 89 -9.607 -7.709 2.565 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.080 -8.605 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.179 -9.516 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.430 -10.210 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.851 -11.650 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.476 -10.785 2.080 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.411 -8.383 -0.825 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.787 -8.683 -2.196 1.00 0.00 C ATOM 1380 C ASP A 90 -8.564 -7.444 -3.065 1.00 0.00 C ATOM 1381 O ASP A 90 -7.956 -7.531 -4.131 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.266 -9.067 -2.290 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.791 -9.272 -3.712 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.509 -8.392 -4.554 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.463 -10.304 -3.925 1.00 0.00 O ATOM 0 H ASP A 90 -8.006 -7.457 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.175 -9.517 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.424 -9.985 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.859 -8.290 -1.808 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.068 -6.320 -2.578 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.931 -5.065 -3.297 1.00 0.00 C ATOM 1392 C GLU A 91 -7.455 -4.768 -3.570 1.00 0.00 C ATOM 1393 O GLU A 91 -7.131 -3.966 -4.445 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.588 -3.918 -2.527 1.00 0.00 C ATOM 1395 CG GLU A 91 -11.107 -3.938 -2.703 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.542 -2.988 -3.822 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -11.080 -1.827 -3.792 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.327 -3.445 -4.681 1.00 0.00 O ATOM 0 H GLU A 91 -9.572 -6.252 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.445 -5.158 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.340 -3.997 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.190 -2.965 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.437 -4.951 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.589 -3.650 -1.769 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.600 -5.430 -2.805 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.166 -5.247 -2.953 1.00 0.00 C ATOM 1407 C PHE A 92 -4.613 -6.134 -4.071 1.00 0.00 C ATOM 1408 O PHE A 92 -3.569 -5.833 -4.648 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.523 -5.658 -1.627 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.807 -4.517 -0.903 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.894 -3.757 -1.566 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.083 -4.261 0.404 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.229 -2.698 -0.893 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.418 -3.202 1.076 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.505 -2.443 0.413 1.00 0.00 C ATOM 0 H PHE A 92 -6.873 -6.094 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.947 -4.210 -3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.294 -6.064 -0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.809 -6.460 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.675 -3.959 -2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.808 -4.864 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.504 -2.095 -1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.637 -2.999 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.999 -1.637 0.924 1.00 0.00 H new ATOM 1425 N THR A 93 -5.338 -7.209 -4.344 1.00 0.00 N ATOM 1426 CA THR A 93 -4.933 -8.141 -5.382 1.00 0.00 C ATOM 1427 C THR A 93 -5.513 -7.719 -6.734 1.00 0.00 C ATOM 1428 O THR A 93 -4.904 -7.954 -7.775 1.00 0.00 O ATOM 1429 CB THR A 93 -5.360 -9.545 -4.950 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.214 -10.065 -4.280 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.558 -10.489 -6.137 1.00 0.00 C ATOM 0 H THR A 93 -6.204 -7.455 -3.864 1.00 0.00 H new ATOM 0 HA THR A 93 -3.851 -8.140 -5.513 1.00 0.00 H new ATOM 0 HB THR A 93 -6.286 -9.483 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.403 -10.973 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.860 -11.471 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.332 -10.091 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.623 -10.579 -6.690 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.685 -7.104 -6.672 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.355 -6.647 -7.878 1.00 0.00 C ATOM 1441 C LYS A 94 -6.670 -5.376 -8.386 1.00 0.00 C ATOM 1442 O LYS A 94 -6.650 -5.108 -9.585 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.855 -6.479 -7.627 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.493 -7.805 -7.209 1.00 0.00 C ATOM 1445 CD LYS A 94 -9.901 -8.627 -8.433 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.891 -9.728 -8.048 1.00 0.00 C ATOM 1447 NZ LYS A 94 -11.567 -10.261 -9.252 1.00 0.00 N ATOM 0 H LYS A 94 -7.188 -6.911 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.269 -7.393 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.016 -5.733 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.339 -6.107 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.790 -8.375 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.368 -7.612 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.351 -7.974 -9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.016 -9.072 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.367 -10.532 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.632 -9.333 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.235 -11.007 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.083 -9.494 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.858 -10.657 -9.902 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.118 -4.617 -7.440 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.421 -3.369 -7.732 1.00 0.00 C ATOM 1463 C HIS A 95 -4.122 -3.666 -8.503 1.00 0.00 C ATOM 1464 O HIS A 95 -3.910 -3.194 -9.618 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.216 -2.596 -6.421 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.838 -1.138 -6.544 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.875 -0.481 -7.707 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.413 -0.228 -5.605 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.488 0.788 -7.501 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.192 0.998 -6.220 1.00 0.00 N ATOM 0 H HIS A 95 -6.143 -4.852 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.011 -2.726 -8.385 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.136 -2.661 -5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.440 -3.101 -5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.273 -0.434 -4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.425 1.540 -8.273 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.874 1.865 -5.787 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.256 -4.466 -7.875 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.988 -4.842 -8.468 1.00 0.00 C ATOM 1480 C CYS A 96 -2.233 -5.514 -9.811 1.00 0.00 C ATOM 1481 O CYS A 96 -1.340 -5.489 -10.657 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.242 -5.777 -7.521 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.343 -4.780 -6.307 1.00 0.00 S ATOM 0 H CYS A 96 -3.420 -4.864 -6.950 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.377 -3.954 -8.632 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.943 -6.443 -7.018 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.550 -6.407 -8.080 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.413 -6.092 -9.983 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.745 -6.761 -11.230 1.00 0.00 C ATOM 1490 C ASN A 97 -4.187 -5.720 -12.260 1.00 0.00 C ATOM 1491 O ASN A 97 -4.287 -6.021 -13.448 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.894 -7.751 -11.035 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.403 -9.194 -11.165 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.825 -9.593 -12.163 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.665 -9.952 -10.104 1.00 0.00 N ATOM 0 H ASN A 97 -4.151 -6.111 -9.279 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.860 -7.299 -11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.343 -7.603 -10.053 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.672 -7.560 -11.774 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.378 -10.931 -10.093 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.153 -9.555 -9.301 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.440 -4.516 -11.767 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.869 -3.429 -12.630 1.00 0.00 C ATOM 1504 C ASP A 98 -3.803 -2.331 -12.629 1.00 0.00 C ATOM 1505 O ASP A 98 -3.934 -1.333 -13.335 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.180 -2.816 -12.133 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.402 -3.107 -13.006 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.294 -4.027 -13.845 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.417 -2.403 -12.814 1.00 0.00 O ATOM 0 H ASP A 98 -4.356 -4.270 -10.781 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.016 -3.832 -13.632 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.376 -3.183 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.054 -1.736 -12.060 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.772 -2.553 -11.827 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.684 -1.595 -11.725 1.00 0.00 C ATOM 1516 C ILE A 99 -0.402 -2.226 -12.271 1.00 0.00 C ATOM 1517 O ILE A 99 0.234 -1.672 -13.167 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.554 -1.084 -10.289 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.852 -0.421 -9.823 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.351 -0.150 -10.146 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.083 0.904 -10.552 1.00 0.00 C ATOM 0 H ILE A 99 -2.667 -3.382 -11.242 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.892 -0.716 -12.335 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.377 -1.940 -9.637 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.692 -1.091 -10.004 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.810 -0.246 -8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.282 0.199 -9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.560 -0.687 -10.409 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.473 0.705 -10.811 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.012 1.354 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.253 1.580 -10.349 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.149 0.722 -11.625 1.00 0.00 H new ATOM 1533 N LEU A 100 -0.060 -3.376 -11.709 1.00 0.00 N ATOM 1534 CA LEU A 100 1.135 -4.089 -12.129 1.00 0.00 C ATOM 1535 C LEU A 100 0.759 -5.129 -13.186 1.00 0.00 C ATOM 1536 O LEU A 100 1.633 -5.728 -13.811 1.00 0.00 O ATOM 1537 CB LEU A 100 1.861 -4.677 -10.918 1.00 0.00 C ATOM 1538 CG LEU A 100 2.669 -3.689 -10.075 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.276 -4.380 -8.852 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.732 -2.987 -10.922 1.00 0.00 C ATOM 0 H LEU A 100 -0.590 -3.832 -10.966 1.00 0.00 H new ATOM 0 HA LEU A 100 1.843 -3.404 -12.594 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.123 -5.155 -10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.533 -5.460 -11.268 1.00 0.00 H new ATOM 0 HG LEU A 100 1.990 -2.920 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.845 -3.655 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.479 -4.795 -8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.937 -5.183 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.292 -2.290 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.413 -3.729 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.249 -2.441 -11.733 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.543 -5.311 -13.353 1.00 0.00 N ATOM 1553 CA GLY A 101 -1.045 -6.269 -14.324 1.00 0.00 C ATOM 1554 C GLY A 101 -1.013 -7.690 -13.759 1.00 0.00 C ATOM 1555 O GLY A 101 -1.154 -8.661 -14.502 1.00 0.00 O ATOM 0 H GLY A 101 -1.265 -4.812 -12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.066 -6.008 -14.604 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.444 -6.221 -15.232 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.827 -7.769 -12.450 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.774 -9.055 -11.776 1.00 0.00 C ATOM 1561 C ALA A 102 -0.859 -8.839 -10.264 1.00 0.00 C ATOM 1562 O ALA A 102 -0.895 -7.701 -9.798 1.00 0.00 O ATOM 1563 CB ALA A 102 0.499 -9.796 -12.189 1.00 0.00 C ATOM 0 H ALA A 102 -0.711 -6.962 -11.837 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.621 -9.676 -12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.539 -10.761 -11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.496 -9.952 -13.268 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.371 -9.204 -11.911 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.887 -9.948 -9.540 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.966 -9.894 -8.091 1.00 0.00 C ATOM 1571 C ASP A 103 0.420 -9.589 -7.519 1.00 0.00 C ATOM 1572 O ASP A 103 1.423 -10.201 -7.881 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.432 -11.233 -7.514 1.00 0.00 C ATOM 1574 CG ASP A 103 -1.789 -11.207 -6.027 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.265 -10.309 -5.333 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.577 -12.086 -5.617 1.00 0.00 O ATOM 0 H ASP A 103 -0.856 -10.890 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.681 -9.117 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.303 -11.570 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.646 -11.972 -7.671 1.00 0.00 H new ATOM 1581 N CYS A 104 0.452 -8.616 -6.607 1.00 0.00 N ATOM 1582 CA CYS A 104 1.685 -8.203 -5.966 1.00 0.00 C ATOM 1583 C CYS A 104 2.144 -9.286 -5.000 1.00 0.00 C ATOM 1584 O CYS A 104 1.332 -10.133 -4.631 1.00 0.00 O ATOM 1585 CB CYS A 104 1.461 -6.883 -5.234 1.00 0.00 C ATOM 1586 SG CYS A 104 1.463 -5.539 -6.446 1.00 0.00 S ATOM 0 H CYS A 104 -0.373 -8.101 -6.299 1.00 0.00 H new ATOM 0 HA CYS A 104 2.462 -8.056 -6.717 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.513 -6.905 -4.696 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.244 -6.724 -4.493 1.00 0.00 H new ATOM 1591 N SER A 105 3.411 -9.243 -4.614 1.00 0.00 N ATOM 1592 CA SER A 105 3.947 -10.232 -3.694 1.00 0.00 C ATOM 1593 C SER A 105 3.426 -9.967 -2.280 1.00 0.00 C ATOM 1594 O SER A 105 3.290 -8.829 -1.837 1.00 0.00 O ATOM 1595 CB SER A 105 5.477 -10.223 -3.706 1.00 0.00 C ATOM 1596 OG SER A 105 5.999 -10.013 -5.015 1.00 0.00 O ATOM 0 H SER A 105 4.082 -8.539 -4.922 1.00 0.00 H new ATOM 0 HA SER A 105 3.614 -11.218 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.840 -9.440 -3.041 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.848 -11.170 -3.315 1.00 0.00 H new ATOM 0 HG SER A 105 6.978 -10.012 -4.980 1.00 0.00 H new ATOM 1602 N PRO A 106 3.134 -11.061 -1.572 1.00 0.00 N ATOM 1603 CA PRO A 106 2.630 -11.045 -0.216 1.00 0.00 C ATOM 1604 C PRO A 106 3.638 -10.360 0.695 1.00 0.00 C ATOM 1605 O PRO A 106 3.269 -9.969 1.801 1.00 0.00 O ATOM 1606 CB PRO A 106 2.465 -12.517 0.158 1.00 0.00 C ATOM 1607 CG PRO A 106 3.343 -13.283 -0.808 1.00 0.00 C ATOM 1608 CD PRO A 106 3.282 -12.415 -2.062 1.00 0.00 C ATOM 0 HA PRO A 106 1.691 -10.500 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.768 -12.696 1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.424 -12.829 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.362 -13.388 -0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.965 -14.289 -0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.187 -12.522 -2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.444 -12.699 -2.698 1.00 0.00 H new ATOM 1616 N SER A 107 4.870 -10.229 0.226 1.00 0.00 N ATOM 1617 CA SER A 107 5.909 -9.591 1.017 1.00 0.00 C ATOM 1618 C SER A 107 5.894 -8.080 0.777 1.00 0.00 C ATOM 1619 O SER A 107 6.106 -7.299 1.704 1.00 0.00 O ATOM 1620 CB SER A 107 7.286 -10.168 0.685 1.00 0.00 C ATOM 1621 OG SER A 107 7.763 -9.718 -0.580 1.00 0.00 O ATOM 0 H SER A 107 5.172 -10.554 -0.692 1.00 0.00 H new ATOM 0 HA SER A 107 5.708 -9.787 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.995 -9.883 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.233 -11.257 0.686 1.00 0.00 H new ATOM 0 HG SER A 107 8.645 -10.107 -0.754 1.00 0.00 H new ATOM 1627 N GLU A 108 5.643 -7.713 -0.471 1.00 0.00 N ATOM 1628 CA GLU A 108 5.599 -6.310 -0.843 1.00 0.00 C ATOM 1629 C GLU A 108 4.355 -5.643 -0.254 1.00 0.00 C ATOM 1630 O GLU A 108 4.184 -4.430 -0.365 1.00 0.00 O ATOM 1631 CB GLU A 108 5.641 -6.144 -2.364 1.00 0.00 C ATOM 1632 CG GLU A 108 6.789 -6.953 -2.972 1.00 0.00 C ATOM 1633 CD GLU A 108 8.093 -6.151 -2.957 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.143 -5.136 -3.685 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.009 -6.571 -2.217 1.00 0.00 O ATOM 0 H GLU A 108 5.468 -8.363 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 108 6.481 -5.818 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.694 -6.469 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.761 -5.090 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.921 -7.880 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.540 -7.231 -3.996 1.00 0.00 H new ATOM 1642 N LYS A 109 3.517 -6.465 0.361 1.00 0.00 N ATOM 1643 CA LYS A 109 2.293 -5.970 0.968 1.00 0.00 C ATOM 1644 C LYS A 109 2.558 -5.633 2.437 1.00 0.00 C ATOM 1645 O LYS A 109 2.492 -4.470 2.832 1.00 0.00 O ATOM 1646 CB LYS A 109 1.151 -6.968 0.762 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.207 -6.300 0.988 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.835 -5.872 -0.340 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.259 -7.090 -1.163 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.399 -6.727 -2.591 1.00 0.00 N ATOM 0 H LYS A 109 3.662 -7.471 0.452 1.00 0.00 H new ATOM 0 HA LYS A 109 1.972 -5.049 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.197 -7.375 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.267 -7.806 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.874 -6.990 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.086 -5.430 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.701 -5.238 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.122 -5.275 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.521 -7.885 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.205 -7.480 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.800 -7.530 -3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.030 -5.905 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.465 -6.490 -2.982 1.00 0.00 H new ATOM 1664 N ALA A 110 2.852 -6.672 3.205 1.00 0.00 N ATOM 1665 CA ALA A 110 3.126 -6.501 4.622 1.00 0.00 C ATOM 1666 C ALA A 110 4.156 -5.384 4.806 1.00 0.00 C ATOM 1667 O ALA A 110 4.239 -4.782 5.875 1.00 0.00 O ATOM 1668 CB ALA A 110 3.596 -7.830 5.215 1.00 0.00 C ATOM 0 H ALA A 110 2.906 -7.635 2.873 1.00 0.00 H new ATOM 0 HA ALA A 110 2.222 -6.208 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.802 -7.702 6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.818 -8.582 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.504 -8.155 4.706 1.00 0.00 H new ATOM 1674 N ASN A 111 4.914 -5.141 3.747 1.00 0.00 N ATOM 1675 CA ASN A 111 5.934 -4.107 3.778 1.00 0.00 C ATOM 1676 C ASN A 111 5.270 -2.736 3.633 1.00 0.00 C ATOM 1677 O ASN A 111 5.695 -1.767 4.260 1.00 0.00 O ATOM 1678 CB ASN A 111 6.925 -4.276 2.625 1.00 0.00 C ATOM 1679 CG ASN A 111 8.259 -3.599 2.945 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.292 -4.235 3.077 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.181 -2.276 3.062 1.00 0.00 N ATOM 0 H ASN A 111 4.842 -5.643 2.862 1.00 0.00 H new ATOM 0 HA ASN A 111 6.466 -4.187 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.088 -5.337 2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.505 -3.848 1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.018 -1.733 3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.285 -1.805 2.939 1.00 0.00 H new ATOM 1688 N PHE A 112 4.237 -2.699 2.804 1.00 0.00 N ATOM 1689 CA PHE A 112 3.510 -1.463 2.569 1.00 0.00 C ATOM 1690 C PHE A 112 2.569 -1.151 3.734 1.00 0.00 C ATOM 1691 O PHE A 112 2.515 -0.017 4.207 1.00 0.00 O ATOM 1692 CB PHE A 112 2.681 -1.666 1.299 1.00 0.00 C ATOM 1693 CG PHE A 112 1.957 -0.407 0.821 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.671 0.693 0.458 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.598 -0.386 0.757 1.00 0.00 C ATOM 1696 CE1 PHE A 112 1.999 1.862 0.014 1.00 0.00 C ATOM 1697 CE2 PHE A 112 -0.074 0.784 0.313 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.641 1.883 -0.049 1.00 0.00 C ATOM 0 H PHE A 112 3.886 -3.505 2.287 1.00 0.00 H new ATOM 0 HA PHE A 112 4.209 -0.633 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.336 -2.021 0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.945 -2.450 1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.750 0.677 0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.030 -1.259 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.566 2.735 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.153 0.801 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.130 2.773 -0.387 1.00 0.00 H new ATOM 1708 N ILE A 113 1.849 -2.178 4.163 1.00 0.00 N ATOM 1709 CA ILE A 113 0.913 -2.028 5.264 1.00 0.00 C ATOM 1710 C ILE A 113 1.651 -1.474 6.484 1.00 0.00 C ATOM 1711 O ILE A 113 1.116 -0.639 7.211 1.00 0.00 O ATOM 1712 CB ILE A 113 0.185 -3.347 5.531 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -1.003 -3.520 4.582 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.234 -3.454 6.999 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.951 -4.879 3.882 1.00 0.00 C ATOM 0 H ILE A 113 1.895 -3.117 3.768 1.00 0.00 H new ATOM 0 HA ILE A 113 0.136 -1.308 5.008 1.00 0.00 H new ATOM 0 HB ILE A 113 0.877 -4.165 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.935 -3.430 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.998 -2.723 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.749 -4.400 7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.651 -3.408 7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.902 -2.629 7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.806 -4.977 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.029 -4.956 3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.981 -5.674 4.628 1.00 0.00 H new ATOM 1727 N ALA A 114 2.869 -1.963 6.671 1.00 0.00 N ATOM 1728 CA ALA A 114 3.686 -1.528 7.791 1.00 0.00 C ATOM 1729 C ALA A 114 3.998 -0.037 7.640 1.00 0.00 C ATOM 1730 O ALA A 114 3.500 0.812 8.375 1.00 0.00 O ATOM 1731 CB ALA A 114 4.951 -2.384 7.863 1.00 0.00 C ATOM 0 H ALA A 114 3.309 -2.656 6.066 1.00 0.00 H new ATOM 0 HA ALA A 114 3.150 -1.659 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.564 -2.058 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.675 -3.430 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.517 -2.276 6.938 1.00 0.00 H new ATOM 1737 N TYR A 115 4.847 0.264 6.655 1.00 0.00 N ATOM 1738 CA TYR A 115 5.246 1.630 6.383 1.00 0.00 C ATOM 1739 C TYR A 115 4.030 2.543 6.435 1.00 0.00 C ATOM 1740 O TYR A 115 4.181 3.716 6.775 1.00 0.00 O ATOM 1741 CB TYR A 115 5.916 1.700 5.014 1.00 0.00 C ATOM 1742 CG TYR A 115 7.106 2.629 4.971 1.00 0.00 C ATOM 1743 CD1 TYR A 115 6.918 3.996 4.734 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.396 2.124 5.168 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.021 4.858 4.694 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.499 2.985 5.128 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.312 4.352 4.891 1.00 0.00 C ATOM 1748 OH TYR A 115 10.386 5.191 4.852 1.00 0.00 O ATOM 0 H TYR A 115 5.268 -0.428 6.035 1.00 0.00 H new ATOM 0 HA TYR A 115 5.957 1.962 7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.236 0.699 4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.183 2.027 4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.922 4.386 4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.541 1.070 5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.876 5.913 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.494 2.595 5.280 1.00 0.00 H new ATOM 0 HH TYR A 115 11.207 4.679 5.009 1.00 0.00 H new ATOM 1758 N LEU A 116 2.866 2.002 6.105 1.00 0.00 N ATOM 1759 CA LEU A 116 1.644 2.786 6.122 1.00 0.00 C ATOM 1760 C LEU A 116 1.220 3.031 7.572 1.00 0.00 C ATOM 1761 O LEU A 116 0.854 4.148 7.935 1.00 0.00 O ATOM 1762 CB LEU A 116 0.564 2.115 5.271 1.00 0.00 C ATOM 1763 CG LEU A 116 0.549 2.491 3.788 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.620 1.819 3.064 1.00 0.00 C ATOM 1765 CD2 LEU A 116 0.538 4.010 3.608 1.00 0.00 C ATOM 0 H LEU A 116 2.744 1.029 5.824 1.00 0.00 H new ATOM 0 HA LEU A 116 1.813 3.763 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.686 1.035 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.409 2.358 5.697 1.00 0.00 H new ATOM 0 HG LEU A 116 1.467 2.120 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.608 2.103 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.527 0.736 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.559 2.139 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.527 4.250 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.350 4.426 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.429 4.437 4.068 1.00 0.00 H new ATOM 1777 N LEU A 117 1.284 1.969 8.361 1.00 0.00 N ATOM 1778 CA LEU A 117 0.912 2.054 9.763 1.00 0.00 C ATOM 1779 C LEU A 117 2.155 2.366 10.598 1.00 0.00 C ATOM 1780 O LEU A 117 2.247 1.962 11.756 1.00 0.00 O ATOM 1781 CB LEU A 117 0.180 0.784 10.201 1.00 0.00 C ATOM 1782 CG LEU A 117 1.064 -0.417 10.540 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.178 -0.606 12.054 1.00 0.00 C ATOM 1784 CD2 LEU A 117 0.562 -1.682 9.840 1.00 0.00 C ATOM 0 H LEU A 117 1.588 1.044 8.056 1.00 0.00 H new ATOM 0 HA LEU A 117 0.208 2.871 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.427 1.021 11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.506 0.492 9.406 1.00 0.00 H new ATOM 0 HG LEU A 117 2.068 -0.218 10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.812 -1.467 12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.616 0.287 12.500 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.187 -0.773 12.476 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.208 -2.521 10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.457 -1.896 10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.577 -1.531 8.761 1.00 0.00 H new ATOM 1796 N THR A 118 3.081 3.083 9.978 1.00 0.00 N ATOM 1797 CA THR A 118 4.314 3.455 10.650 1.00 0.00 C ATOM 1798 C THR A 118 4.493 4.974 10.636 1.00 0.00 C ATOM 1799 O THR A 118 4.507 5.611 11.688 1.00 0.00 O ATOM 1800 CB THR A 118 5.464 2.701 9.977 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.461 1.425 10.611 1.00 0.00 O ATOM 1802 CG2 THR A 118 6.833 3.288 10.328 1.00 0.00 C ATOM 0 H THR A 118 3.002 3.416 9.017 1.00 0.00 H new ATOM 0 HA THR A 118 4.292 3.173 11.703 1.00 0.00 H new ATOM 0 HB THR A 118 5.327 2.720 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.868 0.818 10.121 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.613 2.717 9.825 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.877 4.327 10.003 1.00 0.00 H new ATOM 0 HG23 THR A 118 6.985 3.238 11.406 1.00 0.00 H new