USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 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 105 SER OG : rot 180:sc= -1.79 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= -0.0734 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -1.16 X(o=-4.7,f=-4.8) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -3.56! C(o=-4.7!,f=-5.3!) USER MOD Set 3.1: A 93 THR OG1 : rot -32:sc= 0.0743 USER MOD Set 3.2: A 109 LYS NZ :NH3+ 147:sc= -0.396 (180deg=-1.75!) USER MOD Set 4.1: A 51 SER OG : rot -65:sc= 1.31 USER MOD Set 4.2: A 52 CYS SG : rot 52:sc= -0.262 USER MOD Set 5.1: A 41 THR OG1 : rot -115:sc= 0.959 USER MOD Set 5.2: A 43 SER OG : rot 62:sc= 1.16 USER MOD Set 6.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 29:sc= 0.815 USER MOD Single : A 4 ASN : amide:sc= -3.69! K(o=-3.7!,f=-1.9) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.615 USER MOD Single : A 13 THR OG1 : rot 123:sc= 0.876 USER MOD Single : A 14 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.6!) USER MOD Single : A 17 HIS : no HD1:sc= -2.95! C(o=-2.9!,f=-5.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -4.31 X(o=-4.3,f=-4.6!) 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 1:sc= 0.662 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.14) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 123:sc= 0.0713 USER MOD Single : A 54 THR OG1 : rot 37:sc= -1.12! USER MOD Single : A 55 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.63) USER MOD Single : A 56 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.1!) USER MOD Single : A 59 ASN : amide:sc= 0.679 K(o=0.68,f=-6.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -4.39! C(o=-4.4!,f=-5.1!) 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= -2.89! C(o=-2.9!,f=-11!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.062 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.0122 (180deg=-0.182) USER MOD Single : A 97 ASN : amide:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 111 ASN : amide:sc= -5.11! C(o=-5.1!,f=-3.3!) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 118 THR OG1 : rot 86:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -5.488 -2.635 15.508 1.00 0.00 N ATOM 32 CA THR A 3 -5.918 -3.994 15.788 1.00 0.00 C ATOM 33 C THR A 3 -6.000 -4.805 14.493 1.00 0.00 C ATOM 34 O THR A 3 -5.743 -6.008 14.492 1.00 0.00 O ATOM 35 CB THR A 3 -7.245 -3.924 16.546 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.095 -2.797 17.405 1.00 0.00 O ATOM 37 CG2 THR A 3 -7.434 -5.101 17.505 1.00 0.00 C ATOM 0 HA THR A 3 -5.196 -4.515 16.416 1.00 0.00 H new ATOM 0 HB THR A 3 -8.069 -3.901 15.833 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.485 -2.150 16.993 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.391 -5.003 18.017 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.418 -6.035 16.943 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.628 -5.105 18.239 1.00 0.00 H new ATOM 45 N ASN A 4 -6.358 -4.113 13.421 1.00 0.00 N ATOM 46 CA ASN A 4 -6.478 -4.754 12.123 1.00 0.00 C ATOM 47 C ASN A 4 -5.137 -4.665 11.390 1.00 0.00 C ATOM 48 O ASN A 4 -4.578 -5.683 10.986 1.00 0.00 O ATOM 49 CB ASN A 4 -7.534 -4.060 11.261 1.00 0.00 C ATOM 50 CG ASN A 4 -8.946 -4.459 11.697 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.869 -4.540 10.903 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.061 -4.703 12.999 1.00 0.00 N ATOM 0 H ASN A 4 -6.569 -3.115 13.425 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.770 -5.792 12.285 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.418 -2.979 11.337 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.385 -4.324 10.214 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.963 -4.977 13.389 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.247 -4.616 13.608 1.00 0.00 H new ATOM 59 N ALA A 5 -4.661 -3.437 11.241 1.00 0.00 N ATOM 60 CA ALA A 5 -3.397 -3.202 10.564 1.00 0.00 C ATOM 61 C ALA A 5 -2.351 -4.186 11.090 1.00 0.00 C ATOM 62 O ALA A 5 -1.544 -4.710 10.323 1.00 0.00 O ATOM 63 CB ALA A 5 -2.977 -1.744 10.759 1.00 0.00 C ATOM 0 H ALA A 5 -5.128 -2.595 11.577 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.498 -3.371 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.029 -1.567 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.740 -1.087 10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.863 -1.538 11.823 1.00 0.00 H new ATOM 69 N GLU A 6 -2.398 -4.408 12.396 1.00 0.00 N ATOM 70 CA GLU A 6 -1.464 -5.320 13.034 1.00 0.00 C ATOM 71 C GLU A 6 -1.693 -6.749 12.535 1.00 0.00 C ATOM 72 O GLU A 6 -0.740 -7.503 12.343 1.00 0.00 O ATOM 73 CB GLU A 6 -1.579 -5.246 14.557 1.00 0.00 C ATOM 74 CG GLU A 6 -0.785 -6.372 15.223 1.00 0.00 C ATOM 75 CD GLU A 6 0.679 -6.347 14.778 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.341 -5.326 15.062 1.00 0.00 O ATOM 77 OE2 GLU A 6 1.102 -7.350 14.163 1.00 0.00 O ATOM 0 H GLU A 6 -3.068 -3.972 13.029 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.451 -5.020 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.211 -4.281 14.906 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.627 -5.313 14.850 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.841 -6.270 16.307 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.230 -7.335 14.970 1.00 0.00 H new ATOM 84 N LYS A 7 -2.961 -7.077 12.341 1.00 0.00 N ATOM 85 CA LYS A 7 -3.327 -8.402 11.868 1.00 0.00 C ATOM 86 C LYS A 7 -2.699 -8.641 10.494 1.00 0.00 C ATOM 87 O LYS A 7 -2.006 -9.636 10.288 1.00 0.00 O ATOM 88 CB LYS A 7 -4.847 -8.577 11.889 1.00 0.00 C ATOM 89 CG LYS A 7 -5.232 -10.046 11.705 1.00 0.00 C ATOM 90 CD LYS A 7 -5.449 -10.730 13.056 1.00 0.00 C ATOM 91 CE LYS A 7 -6.705 -11.603 13.033 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.355 -13.020 13.280 1.00 0.00 N ATOM 0 H LYS A 7 -3.748 -6.449 12.502 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.932 -9.167 12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.246 -8.208 12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.297 -7.978 11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.142 -10.115 11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.448 -10.564 11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.581 -11.342 13.301 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.540 -9.977 13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.409 -11.258 13.791 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.204 -11.508 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.219 -13.599 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.701 -13.350 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.899 -13.108 14.211 1.00 0.00 H new ATOM 106 N LEU A 8 -2.963 -7.710 9.589 1.00 0.00 N ATOM 107 CA LEU A 8 -2.432 -7.806 8.240 1.00 0.00 C ATOM 108 C LEU A 8 -0.930 -8.094 8.307 1.00 0.00 C ATOM 109 O LEU A 8 -0.445 -9.029 7.671 1.00 0.00 O ATOM 110 CB LEU A 8 -2.783 -6.554 7.435 1.00 0.00 C ATOM 111 CG LEU A 8 -4.265 -6.357 7.111 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.443 -5.524 5.841 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.989 -7.702 7.021 1.00 0.00 C ATOM 0 H LEU A 8 -3.538 -6.886 9.764 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.893 -8.638 7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.433 -5.682 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.227 -6.582 6.498 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.722 -5.799 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.506 -5.399 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.983 -4.546 5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.967 -6.033 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.041 -7.534 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.537 -8.307 6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.906 -8.224 7.974 1.00 0.00 H new ATOM 125 N VAL A 9 -0.237 -7.274 9.082 1.00 0.00 N ATOM 126 CA VAL A 9 1.199 -7.428 9.240 1.00 0.00 C ATOM 127 C VAL A 9 1.507 -8.855 9.698 1.00 0.00 C ATOM 128 O VAL A 9 2.317 -9.569 9.112 1.00 0.00 O ATOM 129 CB VAL A 9 1.738 -6.363 10.198 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.238 -6.546 10.433 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.431 -4.956 9.681 1.00 0.00 C ATOM 0 H VAL A 9 -0.643 -6.500 9.608 1.00 0.00 H new ATOM 0 HA VAL A 9 1.706 -7.275 8.287 1.00 0.00 H new ATOM 0 HB VAL A 9 1.232 -6.486 11.156 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.596 -5.777 11.117 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.421 -7.530 10.865 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.768 -6.462 9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.824 -4.218 10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.897 -4.817 8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.352 -4.830 9.589 1.00 0.00 H new ATOM 141 N TYR A 10 0.831 -9.259 10.776 1.00 0.00 N ATOM 142 CA TYR A 10 1.010 -10.583 11.337 1.00 0.00 C ATOM 143 C TYR A 10 0.366 -11.620 10.428 1.00 0.00 C ATOM 144 O TYR A 10 0.411 -12.806 10.753 1.00 0.00 O ATOM 145 CB TYR A 10 0.394 -10.631 12.732 1.00 0.00 C ATOM 146 CG TYR A 10 0.928 -11.753 13.589 1.00 0.00 C ATOM 147 CD1 TYR A 10 2.052 -11.543 14.398 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.301 -13.005 13.576 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.548 -12.583 15.192 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.797 -14.045 14.370 1.00 0.00 C ATOM 151 CZ TYR A 10 1.921 -13.835 15.178 1.00 0.00 C ATOM 152 OH TYR A 10 2.404 -14.849 15.951 1.00 0.00 O ATOM 0 H TYR A 10 0.154 -8.680 11.273 1.00 0.00 H new ATOM 0 HA TYR A 10 2.074 -10.808 11.415 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.578 -9.682 13.235 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.687 -10.738 12.640 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.536 -10.578 14.409 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.566 -13.168 12.953 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.415 -12.420 15.816 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.313 -15.010 14.360 1.00 0.00 H new ATOM 0 HH TYR A 10 1.852 -15.649 15.824 1.00 0.00 H new ATOM 162 N LYS A 11 -0.210 -11.166 9.324 1.00 0.00 N ATOM 163 CA LYS A 11 -0.853 -12.073 8.388 1.00 0.00 C ATOM 164 C LYS A 11 0.033 -12.234 7.151 1.00 0.00 C ATOM 165 O LYS A 11 0.688 -13.254 6.946 1.00 0.00 O ATOM 166 CB LYS A 11 -2.272 -11.597 8.070 1.00 0.00 C ATOM 167 CG LYS A 11 -3.250 -12.013 9.171 1.00 0.00 C ATOM 168 CD LYS A 11 -3.477 -13.526 9.159 1.00 0.00 C ATOM 169 CE LYS A 11 -4.894 -13.871 9.622 1.00 0.00 C ATOM 170 NZ LYS A 11 -4.876 -15.061 10.501 1.00 0.00 N ATOM 0 H LYS A 11 -0.245 -10.182 9.057 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.965 -13.062 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.280 -10.512 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.594 -12.014 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.861 -11.708 10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.200 -11.498 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.315 -13.914 8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.750 -14.012 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.325 -13.024 10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.530 -14.060 8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.845 -15.282 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.484 -15.871 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.286 -14.868 11.335 1.00 0.00 H new ATOM 184 N TYR A 12 0.038 -11.189 6.321 1.00 0.00 N ATOM 185 CA TYR A 12 0.825 -11.186 5.104 1.00 0.00 C ATOM 186 C TYR A 12 2.253 -11.614 5.411 1.00 0.00 C ATOM 187 O TYR A 12 2.932 -12.107 4.512 1.00 0.00 O ATOM 188 CB TYR A 12 0.799 -9.791 4.487 1.00 0.00 C ATOM 189 CG TYR A 12 -0.568 -9.374 3.998 1.00 0.00 C ATOM 190 CD1 TYR A 12 -1.036 -9.825 2.758 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.367 -8.535 4.784 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.303 -9.439 2.305 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.634 -8.149 4.331 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.102 -8.601 3.092 1.00 0.00 C ATOM 195 OH TYR A 12 -4.337 -8.225 2.650 1.00 0.00 O ATOM 0 H TYR A 12 -0.498 -10.336 6.477 1.00 0.00 H new ATOM 0 HA TYR A 12 0.401 -11.893 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.148 -9.069 5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.500 -9.758 3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.419 -10.471 2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.006 -8.186 5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.664 -9.788 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.250 -7.502 4.938 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.760 -7.644 3.316 1.00 0.00 H new ATOM 205 N THR A 13 2.676 -11.421 6.652 1.00 0.00 N ATOM 206 CA THR A 13 4.023 -11.794 7.050 1.00 0.00 C ATOM 207 C THR A 13 4.135 -13.313 7.194 1.00 0.00 C ATOM 208 O THR A 13 5.073 -13.922 6.682 1.00 0.00 O ATOM 209 CB THR A 13 4.364 -11.035 8.334 1.00 0.00 C ATOM 210 OG1 THR A 13 4.364 -9.666 7.938 1.00 0.00 O ATOM 211 CG2 THR A 13 5.799 -11.289 8.800 1.00 0.00 C ATOM 0 H THR A 13 2.110 -11.011 7.395 1.00 0.00 H new ATOM 0 HA THR A 13 4.752 -11.517 6.288 1.00 0.00 H new ATOM 0 HB THR A 13 3.670 -11.325 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.726 -9.166 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.989 -10.727 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.936 -12.353 8.993 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.495 -10.968 8.025 1.00 0.00 H new ATOM 219 N ASN A 14 3.164 -13.882 7.893 1.00 0.00 N ATOM 220 CA ASN A 14 3.142 -15.319 8.111 1.00 0.00 C ATOM 221 C ASN A 14 3.121 -16.035 6.759 1.00 0.00 C ATOM 222 O ASN A 14 3.950 -16.906 6.501 1.00 0.00 O ATOM 223 CB ASN A 14 1.893 -15.739 8.888 1.00 0.00 C ATOM 224 CG ASN A 14 2.003 -17.190 9.362 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.775 -17.981 8.846 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.191 -17.493 10.370 1.00 0.00 N ATOM 0 H ASN A 14 2.387 -13.374 8.316 1.00 0.00 H new ATOM 0 HA ASN A 14 4.030 -15.587 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.757 -15.082 9.747 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.012 -15.625 8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.190 -18.436 10.758 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.569 -16.782 10.755 1.00 0.00 H new ATOM 233 N ILE A 15 2.163 -15.642 5.932 1.00 0.00 N ATOM 234 CA ILE A 15 2.023 -16.236 4.613 1.00 0.00 C ATOM 235 C ILE A 15 3.365 -16.168 3.883 1.00 0.00 C ATOM 236 O ILE A 15 3.825 -17.164 3.328 1.00 0.00 O ATOM 237 CB ILE A 15 0.873 -15.577 3.849 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.476 -16.160 4.278 1.00 0.00 C ATOM 239 CG2 ILE A 15 1.087 -15.682 2.338 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.544 -15.068 4.360 1.00 0.00 C ATOM 0 H ILE A 15 1.476 -14.920 6.150 1.00 0.00 H new ATOM 0 HA ILE A 15 1.758 -17.290 4.696 1.00 0.00 H new ATOM 0 HB ILE A 15 0.860 -14.516 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.788 -16.926 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.374 -16.647 5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.255 -15.206 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.017 -15.183 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.141 -16.732 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.492 -15.509 4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.241 -14.316 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.661 -14.599 3.383 1.00 0.00 H new ATOM 252 N ALA A 16 3.956 -14.982 3.907 1.00 0.00 N ATOM 253 CA ALA A 16 5.237 -14.771 3.254 1.00 0.00 C ATOM 254 C ALA A 16 6.277 -15.714 3.863 1.00 0.00 C ATOM 255 O ALA A 16 7.091 -16.293 3.145 1.00 0.00 O ATOM 256 CB ALA A 16 5.639 -13.300 3.381 1.00 0.00 C ATOM 0 H ALA A 16 3.571 -14.158 4.368 1.00 0.00 H new ATOM 0 HA ALA A 16 5.167 -14.999 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.600 -13.142 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.883 -12.674 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.721 -13.035 4.435 1.00 0.00 H new ATOM 262 N HIS A 17 6.216 -15.838 5.181 1.00 0.00 N ATOM 263 CA HIS A 17 7.142 -16.700 5.894 1.00 0.00 C ATOM 264 C HIS A 17 6.862 -18.161 5.537 1.00 0.00 C ATOM 265 O HIS A 17 7.776 -18.985 5.515 1.00 0.00 O ATOM 266 CB HIS A 17 7.081 -16.436 7.400 1.00 0.00 C ATOM 267 CG HIS A 17 8.314 -16.877 8.152 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.597 -16.580 7.728 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.445 -17.596 9.304 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.454 -17.102 8.593 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.739 -17.731 9.569 1.00 0.00 N ATOM 0 H HIS A 17 5.540 -15.356 5.773 1.00 0.00 H new ATOM 0 HA HIS A 17 8.163 -16.476 5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.929 -15.369 7.565 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.213 -16.949 7.813 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.634 -17.989 9.899 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.531 -17.040 8.535 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.133 -18.224 10.370 1.00 0.00 H new ATOM 279 N SER A 18 5.595 -18.439 5.267 1.00 0.00 N ATOM 280 CA SER A 18 5.183 -19.786 4.912 1.00 0.00 C ATOM 281 C SER A 18 5.791 -20.181 3.564 1.00 0.00 C ATOM 282 O SER A 18 5.960 -21.366 3.279 1.00 0.00 O ATOM 283 CB SER A 18 3.659 -19.900 4.860 1.00 0.00 C ATOM 284 OG SER A 18 3.233 -21.209 4.491 1.00 0.00 O ATOM 0 H SER A 18 4.840 -17.754 5.287 1.00 0.00 H new ATOM 0 HA SER A 18 5.545 -20.468 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.243 -19.645 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.266 -19.176 4.146 1.00 0.00 H new ATOM 0 HG SER A 18 2.254 -21.241 4.471 1.00 0.00 H new ATOM 290 N ALA A 19 6.103 -19.166 2.772 1.00 0.00 N ATOM 291 CA ALA A 19 6.689 -19.393 1.461 1.00 0.00 C ATOM 292 C ALA A 19 8.214 -19.368 1.578 1.00 0.00 C ATOM 293 O ALA A 19 8.905 -20.121 0.894 1.00 0.00 O ATOM 294 CB ALA A 19 6.162 -18.345 0.479 1.00 0.00 C ATOM 0 H ALA A 19 5.961 -18.185 3.012 1.00 0.00 H new ATOM 0 HA ALA A 19 6.404 -20.372 1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.601 -18.514 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.077 -18.424 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.432 -17.349 0.830 1.00 0.00 H new ATOM 300 N ASN A 20 8.695 -18.493 2.450 1.00 0.00 N ATOM 301 CA ASN A 20 10.126 -18.360 2.664 1.00 0.00 C ATOM 302 C ASN A 20 10.407 -18.285 4.167 1.00 0.00 C ATOM 303 O ASN A 20 9.955 -17.385 4.871 1.00 0.00 O ATOM 304 CB ASN A 20 10.663 -17.082 2.019 1.00 0.00 C ATOM 305 CG ASN A 20 12.183 -16.987 2.171 1.00 0.00 C ATOM 306 OD1 ASN A 20 12.728 -15.987 2.606 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.833 -18.082 1.787 1.00 0.00 N ATOM 0 H ASN A 20 8.119 -17.870 3.016 1.00 0.00 H new ATOM 0 HA ASN A 20 10.616 -19.224 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.398 -17.065 0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.193 -16.213 2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.851 -18.119 1.848 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.314 -18.885 1.432 1.00 0.00 H new ATOM 314 N PRO A 21 11.174 -19.267 4.647 1.00 0.00 N ATOM 315 CA PRO A 21 11.566 -19.391 6.034 1.00 0.00 C ATOM 316 C PRO A 21 12.756 -18.483 6.312 1.00 0.00 C ATOM 317 O PRO A 21 13.665 -18.898 7.029 1.00 0.00 O ATOM 318 CB PRO A 21 11.947 -20.860 6.203 1.00 0.00 C ATOM 319 CG PRO A 21 12.488 -21.217 4.835 1.00 0.00 C ATOM 320 CD PRO A 21 11.722 -20.341 3.847 1.00 0.00 C ATOM 0 HA PRO A 21 10.776 -19.100 6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.695 -20.998 6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.088 -21.474 6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.560 -21.028 4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.338 -22.275 4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.380 -19.957 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.933 -20.905 3.349 1.00 0.00 H new ATOM 328 N MET A 22 12.731 -17.284 5.750 1.00 0.00 N ATOM 329 CA MET A 22 13.819 -16.341 5.950 1.00 0.00 C ATOM 330 C MET A 22 13.296 -14.904 6.002 1.00 0.00 C ATOM 331 O MET A 22 13.916 -13.965 5.507 1.00 0.00 O ATOM 332 CB MET A 22 14.828 -16.476 4.808 1.00 0.00 C ATOM 333 CG MET A 22 15.021 -17.943 4.417 1.00 0.00 C ATOM 334 SD MET A 22 16.603 -18.160 3.619 1.00 0.00 S ATOM 335 CE MET A 22 17.215 -19.572 4.523 1.00 0.00 C ATOM 0 H MET A 22 11.975 -16.943 5.156 1.00 0.00 H new ATOM 0 HA MET A 22 14.301 -16.567 6.901 1.00 0.00 H new ATOM 0 HB2 MET A 22 14.483 -15.908 3.944 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.784 -16.048 5.110 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.962 -18.575 5.303 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.221 -18.258 3.747 1.00 0.00 H new ATOM 0 HE1 MET A 22 18.202 -19.843 4.149 1.00 0.00 H new ATOM 0 HE2 MET A 22 17.284 -19.324 5.582 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.533 -20.412 4.391 1.00 0.00 H new ATOM 345 N TYR A 23 12.124 -14.752 6.623 1.00 0.00 N ATOM 346 CA TYR A 23 11.494 -13.454 6.756 1.00 0.00 C ATOM 347 C TYR A 23 10.717 -13.389 8.063 1.00 0.00 C ATOM 348 O TYR A 23 9.808 -14.195 8.256 1.00 0.00 O ATOM 349 CB TYR A 23 10.569 -13.216 5.565 1.00 0.00 C ATOM 350 CG TYR A 23 9.921 -11.852 5.569 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.712 -10.701 5.475 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.529 -11.739 5.667 1.00 0.00 C ATOM 353 CE1 TYR A 23 10.111 -9.436 5.479 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.928 -10.474 5.671 1.00 0.00 C ATOM 355 CZ TYR A 23 8.719 -9.323 5.577 1.00 0.00 C ATOM 356 OH TYR A 23 8.134 -8.091 5.582 1.00 0.00 O ATOM 0 H TYR A 23 11.598 -15.520 7.040 1.00 0.00 H new ATOM 0 HA TYR A 23 12.256 -12.675 6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.138 -13.336 4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.791 -13.979 5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.786 -10.788 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.919 -12.627 5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.721 -8.548 5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.854 -10.387 5.747 1.00 0.00 H new ATOM 0 HH TYR A 23 7.162 -8.191 5.655 1.00 0.00 H new ATOM 366 N GLU A 24 11.080 -12.448 8.923 1.00 0.00 N ATOM 367 CA GLU A 24 10.404 -12.299 10.200 1.00 0.00 C ATOM 368 C GLU A 24 9.390 -11.156 10.133 1.00 0.00 C ATOM 369 O GLU A 24 8.254 -11.301 10.583 1.00 0.00 O ATOM 370 CB GLU A 24 11.410 -12.075 11.330 1.00 0.00 C ATOM 371 CG GLU A 24 12.212 -13.347 11.611 1.00 0.00 C ATOM 372 CD GLU A 24 11.759 -14.003 12.917 1.00 0.00 C ATOM 373 OE1 GLU A 24 12.068 -13.424 13.981 1.00 0.00 O ATOM 374 OE2 GLU A 24 11.114 -15.070 12.823 1.00 0.00 O ATOM 0 H GLU A 24 11.834 -11.781 8.760 1.00 0.00 H new ATOM 0 HA GLU A 24 9.867 -13.223 10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.088 -11.265 11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.884 -11.765 12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.089 -14.048 10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.274 -13.106 11.670 1.00 0.00 H new ATOM 381 N ALA A 25 9.836 -10.043 9.568 1.00 0.00 N ATOM 382 CA ALA A 25 8.982 -8.876 9.437 1.00 0.00 C ATOM 383 C ALA A 25 9.649 -7.863 8.505 1.00 0.00 C ATOM 384 O ALA A 25 10.770 -8.047 8.036 1.00 0.00 O ATOM 385 CB ALA A 25 8.696 -8.293 10.823 1.00 0.00 C ATOM 0 H ALA A 25 10.778 -9.926 9.196 1.00 0.00 H new ATOM 0 HA ALA A 25 8.024 -9.150 8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.055 -7.417 10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.195 -9.042 11.436 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.634 -8.004 11.297 1.00 0.00 H new ATOM 391 N PRO A 26 8.924 -6.773 8.244 1.00 0.00 N ATOM 392 CA PRO A 26 9.360 -5.688 7.391 1.00 0.00 C ATOM 393 C PRO A 26 10.475 -4.914 8.079 1.00 0.00 C ATOM 394 O PRO A 26 10.847 -5.274 9.195 1.00 0.00 O ATOM 395 CB PRO A 26 8.121 -4.814 7.206 1.00 0.00 C ATOM 396 CG PRO A 26 6.894 -5.697 7.707 1.00 0.00 C ATOM 397 CD PRO A 26 7.602 -6.524 8.778 1.00 0.00 C ATOM 0 HA PRO A 26 9.754 -6.032 6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.202 -3.893 7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.996 -4.527 6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.081 -5.094 8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.469 -6.313 6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.653 -5.985 9.724 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.072 -7.457 8.971 1.00 0.00 H new ATOM 405 N SER A 27 10.982 -3.886 7.415 1.00 0.00 N ATOM 406 CA SER A 27 12.052 -3.083 7.982 1.00 0.00 C ATOM 407 C SER A 27 11.759 -1.596 7.769 1.00 0.00 C ATOM 408 O SER A 27 12.673 -0.773 7.777 1.00 0.00 O ATOM 409 CB SER A 27 13.403 -3.451 7.366 1.00 0.00 C ATOM 410 OG SER A 27 14.387 -3.724 8.360 1.00 0.00 O ATOM 0 H SER A 27 10.672 -3.591 6.489 1.00 0.00 H new ATOM 0 HA SER A 27 12.103 -3.288 9.051 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.283 -4.325 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.746 -2.634 6.731 1.00 0.00 H new ATOM 0 HG SER A 27 15.234 -3.956 7.926 1.00 0.00 H new ATOM 416 N ILE A 28 10.482 -1.298 7.585 1.00 0.00 N ATOM 417 CA ILE A 28 10.057 0.075 7.371 1.00 0.00 C ATOM 418 C ILE A 28 11.099 0.799 6.515 1.00 0.00 C ATOM 419 O ILE A 28 11.479 1.929 6.817 1.00 0.00 O ATOM 420 CB ILE A 28 9.774 0.764 8.708 1.00 0.00 C ATOM 421 CG1 ILE A 28 10.934 0.560 9.685 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.441 0.296 9.294 1.00 0.00 C ATOM 423 CD1 ILE A 28 10.822 1.515 10.875 1.00 0.00 C ATOM 0 H ILE A 28 9.727 -1.984 7.580 1.00 0.00 H new ATOM 0 HA ILE A 28 9.117 0.101 6.820 1.00 0.00 H new ATOM 0 HB ILE A 28 9.688 1.836 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.938 -0.471 10.040 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.881 0.724 9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.264 0.801 10.244 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.635 0.535 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.473 -0.781 9.456 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.658 1.350 11.554 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.842 2.545 10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.885 1.332 11.402 1.00 0.00 H new ATOM 435 N THR A 29 11.530 0.118 5.463 1.00 0.00 N ATOM 436 CA THR A 29 12.520 0.681 4.561 1.00 0.00 C ATOM 437 C THR A 29 12.520 -0.074 3.231 1.00 0.00 C ATOM 438 O THR A 29 13.565 -0.224 2.598 1.00 0.00 O ATOM 439 CB THR A 29 13.875 0.659 5.273 1.00 0.00 C ATOM 440 OG1 THR A 29 13.804 1.750 6.187 1.00 0.00 O ATOM 441 CG2 THR A 29 15.031 1.028 4.341 1.00 0.00 C ATOM 0 H THR A 29 11.211 -0.819 5.215 1.00 0.00 H new ATOM 0 HA THR A 29 12.285 1.716 4.311 1.00 0.00 H new ATOM 0 HB THR A 29 14.049 -0.332 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.926 2.180 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.969 0.997 4.895 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.074 0.318 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.875 2.032 3.947 1.00 0.00 H new ATOM 449 N ASP A 30 11.337 -0.529 2.845 1.00 0.00 N ATOM 450 CA ASP A 30 11.188 -1.264 1.601 1.00 0.00 C ATOM 451 C ASP A 30 9.986 -0.715 0.830 1.00 0.00 C ATOM 452 O ASP A 30 10.076 -0.463 -0.371 1.00 0.00 O ATOM 453 CB ASP A 30 10.940 -2.750 1.866 1.00 0.00 C ATOM 454 CG ASP A 30 11.251 -3.678 0.690 1.00 0.00 C ATOM 455 OD1 ASP A 30 10.353 -3.831 -0.166 1.00 0.00 O ATOM 456 OD2 ASP A 30 12.381 -4.213 0.672 1.00 0.00 O ATOM 0 H ASP A 30 10.473 -0.403 3.372 1.00 0.00 H new ATOM 0 HA ASP A 30 12.108 -1.148 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.543 -3.057 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.896 -2.884 2.148 1.00 0.00 H new ATOM 461 N GLY A 31 8.888 -0.545 1.551 1.00 0.00 N ATOM 462 CA GLY A 31 7.669 -0.031 0.950 1.00 0.00 C ATOM 463 C GLY A 31 7.946 1.250 0.160 1.00 0.00 C ATOM 464 O GLY A 31 7.360 1.470 -0.898 1.00 0.00 O ATOM 0 H GLY A 31 8.817 -0.754 2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.239 -0.784 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.932 0.169 1.728 1.00 0.00 H new ATOM 468 N LYS A 32 8.840 2.062 0.706 1.00 0.00 N ATOM 469 CA LYS A 32 9.202 3.315 0.065 1.00 0.00 C ATOM 470 C LYS A 32 9.579 3.047 -1.393 1.00 0.00 C ATOM 471 O LYS A 32 8.852 3.434 -2.307 1.00 0.00 O ATOM 472 CB LYS A 32 10.297 4.027 0.863 1.00 0.00 C ATOM 473 CG LYS A 32 9.740 5.261 1.576 1.00 0.00 C ATOM 474 CD LYS A 32 9.314 6.332 0.569 1.00 0.00 C ATOM 475 CE LYS A 32 9.517 7.735 1.143 1.00 0.00 C ATOM 476 NZ LYS A 32 10.254 8.586 0.182 1.00 0.00 N ATOM 0 H LYS A 32 9.324 1.877 1.585 1.00 0.00 H new ATOM 0 HA LYS A 32 8.352 3.997 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.723 3.341 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.106 4.323 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.887 4.975 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.495 5.669 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.892 6.224 -0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.266 6.191 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.550 8.185 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.068 7.674 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.383 9.535 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.184 8.163 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.713 8.658 -0.703 1.00 0.00 H new ATOM 490 N ILE A 33 10.715 2.387 -1.566 1.00 0.00 N ATOM 491 CA ILE A 33 11.197 2.063 -2.898 1.00 0.00 C ATOM 492 C ILE A 33 10.060 1.440 -3.710 1.00 0.00 C ATOM 493 O ILE A 33 9.698 1.949 -4.769 1.00 0.00 O ATOM 494 CB ILE A 33 12.447 1.184 -2.816 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.655 1.992 -2.335 1.00 0.00 C ATOM 496 CG2 ILE A 33 12.717 0.490 -4.152 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.685 1.086 -1.658 1.00 0.00 C ATOM 0 H ILE A 33 11.316 2.068 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 33 11.505 2.968 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 33 12.268 0.403 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.115 2.504 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.327 2.762 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.611 -0.128 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.865 -0.137 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.868 1.241 -4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.533 1.684 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.228 0.595 -0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.028 0.332 -2.367 1.00 0.00 H new ATOM 509 N PHE A 34 9.528 0.348 -3.182 1.00 0.00 N ATOM 510 CA PHE A 34 8.439 -0.350 -3.844 1.00 0.00 C ATOM 511 C PHE A 34 7.282 0.604 -4.148 1.00 0.00 C ATOM 512 O PHE A 34 6.452 0.323 -5.012 1.00 0.00 O ATOM 513 CB PHE A 34 7.951 -1.434 -2.882 1.00 0.00 C ATOM 514 CG PHE A 34 6.585 -2.020 -3.245 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.411 -2.654 -4.436 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.544 -1.906 -2.377 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.144 -3.197 -4.773 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.276 -2.450 -2.714 1.00 0.00 C ATOM 519 CZ PHE A 34 4.103 -3.084 -3.904 1.00 0.00 C ATOM 0 H PHE A 34 9.831 -0.071 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 34 8.786 -0.771 -4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.685 -2.239 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.900 -1.017 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.238 -2.744 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.682 -1.402 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.006 -3.700 -5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.449 -2.360 -2.025 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.139 -3.498 -4.160 1.00 0.00 H new ATOM 529 N PHE A 35 7.263 1.711 -3.422 1.00 0.00 N ATOM 530 CA PHE A 35 6.221 2.708 -3.603 1.00 0.00 C ATOM 531 C PHE A 35 6.774 3.962 -4.283 1.00 0.00 C ATOM 532 O PHE A 35 6.065 4.956 -4.432 1.00 0.00 O ATOM 533 CB PHE A 35 5.712 3.081 -2.209 1.00 0.00 C ATOM 534 CG PHE A 35 4.669 4.200 -2.207 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.400 3.948 -2.625 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.011 5.448 -1.786 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.432 4.988 -2.623 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.043 6.487 -1.784 1.00 0.00 C ATOM 539 CZ PHE A 35 2.774 6.235 -2.203 1.00 0.00 C ATOM 0 H PHE A 35 7.953 1.940 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 35 5.427 2.306 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.281 2.196 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.559 3.386 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.128 2.957 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.019 5.648 -1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.424 4.788 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.315 7.477 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.038 7.025 -2.202 1.00 0.00 H new ATOM 549 N ASN A 36 8.036 3.875 -4.677 1.00 0.00 N ATOM 550 CA ASN A 36 8.692 4.990 -5.338 1.00 0.00 C ATOM 551 C ASN A 36 9.613 4.456 -6.438 1.00 0.00 C ATOM 552 O ASN A 36 10.590 5.107 -6.805 1.00 0.00 O ATOM 553 CB ASN A 36 9.547 5.789 -4.353 1.00 0.00 C ATOM 554 CG ASN A 36 8.707 6.839 -3.624 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.842 8.034 -3.833 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.834 6.330 -2.760 1.00 0.00 N ATOM 0 H ASN A 36 8.622 3.049 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 36 7.919 5.637 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.000 5.113 -3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.363 6.277 -4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.226 6.950 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.772 5.320 -2.633 1.00 0.00 H new ATOM 563 N ARG A 37 9.269 3.275 -6.931 1.00 0.00 N ATOM 564 CA ARG A 37 10.052 2.646 -7.981 1.00 0.00 C ATOM 565 C ARG A 37 9.297 2.698 -9.311 1.00 0.00 C ATOM 566 O ARG A 37 8.445 1.852 -9.578 1.00 0.00 O ATOM 567 CB ARG A 37 10.365 1.189 -7.637 1.00 0.00 C ATOM 568 CG ARG A 37 11.540 0.669 -8.468 1.00 0.00 C ATOM 569 CD ARG A 37 12.875 0.997 -7.796 1.00 0.00 C ATOM 570 NE ARG A 37 13.133 2.452 -7.866 1.00 0.00 N ATOM 571 CZ ARG A 37 13.526 3.093 -8.975 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.710 2.410 -10.114 1.00 0.00 N ATOM 573 NH2 ARG A 37 13.737 4.416 -8.946 1.00 0.00 N ATOM 0 H ARG A 37 8.459 2.737 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 37 10.989 3.196 -8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.600 1.105 -6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.485 0.572 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.449 -0.409 -8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.511 1.113 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.857 0.672 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.682 0.452 -8.286 1.00 0.00 H new ATOM 0 HE ARG A 37 13.004 3.002 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.551 1.403 -10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.009 2.898 -10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.598 4.936 -8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.036 4.903 -9.791 1.00 0.00 H new ATOM 587 N LYS A 38 9.636 3.699 -10.109 1.00 0.00 N ATOM 588 CA LYS A 38 9.001 3.872 -11.404 1.00 0.00 C ATOM 589 C LYS A 38 9.028 2.543 -12.163 1.00 0.00 C ATOM 590 O LYS A 38 10.014 2.222 -12.823 1.00 0.00 O ATOM 591 CB LYS A 38 9.647 5.029 -12.168 1.00 0.00 C ATOM 592 CG LYS A 38 9.448 4.870 -13.677 1.00 0.00 C ATOM 593 CD LYS A 38 9.357 6.233 -14.365 1.00 0.00 C ATOM 594 CE LYS A 38 10.467 7.168 -13.880 1.00 0.00 C ATOM 595 NZ LYS A 38 10.074 8.582 -14.069 1.00 0.00 N ATOM 0 H LYS A 38 10.343 4.399 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 38 7.954 4.148 -11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.214 5.974 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.712 5.070 -11.941 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.276 4.301 -14.099 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.539 4.300 -13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.431 6.105 -15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.385 6.682 -14.163 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.674 6.980 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.387 6.964 -14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.839 9.203 -13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.899 8.762 -15.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.208 8.777 -13.527 1.00 0.00 H new ATOM 609 N PHE A 39 7.933 1.807 -12.042 1.00 0.00 N ATOM 610 CA PHE A 39 7.819 0.521 -12.707 1.00 0.00 C ATOM 611 C PHE A 39 7.021 0.645 -14.007 1.00 0.00 C ATOM 612 O PHE A 39 6.351 1.651 -14.235 1.00 0.00 O ATOM 613 CB PHE A 39 7.072 -0.412 -11.752 1.00 0.00 C ATOM 614 CG PHE A 39 5.730 0.139 -11.266 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.639 0.082 -12.076 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.628 0.684 -10.025 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.393 0.594 -11.625 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.382 1.196 -9.574 1.00 0.00 C ATOM 619 CZ PHE A 39 3.291 1.140 -10.384 1.00 0.00 C ATOM 0 H PHE A 39 7.117 2.077 -11.493 1.00 0.00 H new ATOM 0 HA PHE A 39 8.810 0.141 -12.955 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.902 -1.366 -12.251 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.705 -0.613 -10.888 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.720 -0.352 -13.062 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.494 0.728 -9.382 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.526 0.550 -12.268 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.301 1.630 -8.588 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.344 1.529 -10.041 1.00 0.00 H new ATOM 629 N LYS A 40 7.121 -0.391 -14.826 1.00 0.00 N ATOM 630 CA LYS A 40 6.418 -0.411 -16.098 1.00 0.00 C ATOM 631 C LYS A 40 5.223 -1.362 -16.000 1.00 0.00 C ATOM 632 O LYS A 40 5.301 -2.398 -15.341 1.00 0.00 O ATOM 633 CB LYS A 40 7.380 -0.749 -17.238 1.00 0.00 C ATOM 634 CG LYS A 40 7.243 0.252 -18.386 1.00 0.00 C ATOM 635 CD LYS A 40 7.696 -0.366 -19.710 1.00 0.00 C ATOM 636 CE LYS A 40 9.183 -0.101 -19.958 1.00 0.00 C ATOM 637 NZ LYS A 40 9.412 0.285 -21.369 1.00 0.00 N ATOM 0 H LYS A 40 7.678 -1.223 -14.634 1.00 0.00 H new ATOM 0 HA LYS A 40 6.022 0.578 -16.329 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.405 -0.744 -16.867 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.178 -1.756 -17.603 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.206 0.577 -18.468 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.839 1.139 -18.172 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.512 -1.440 -19.696 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.108 0.048 -20.529 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.533 0.692 -19.297 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.762 -0.993 -19.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.426 0.461 -21.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.097 -0.484 -21.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.874 1.149 -21.584 1.00 0.00 H new ATOM 651 N THR A 41 4.144 -0.976 -16.665 1.00 0.00 N ATOM 652 CA THR A 41 2.934 -1.781 -16.661 1.00 0.00 C ATOM 653 C THR A 41 2.862 -2.640 -17.925 1.00 0.00 C ATOM 654 O THR A 41 3.421 -2.313 -18.969 1.00 0.00 O ATOM 655 CB THR A 41 1.740 -0.839 -16.497 1.00 0.00 C ATOM 656 OG1 THR A 41 1.718 -0.091 -17.710 1.00 0.00 O ATOM 657 CG2 THR A 41 1.971 0.216 -15.413 1.00 0.00 C ATOM 0 H THR A 41 4.082 -0.116 -17.210 1.00 0.00 H new ATOM 0 HA THR A 41 2.928 -2.483 -15.828 1.00 0.00 H new ATOM 0 HB THR A 41 0.850 -1.420 -16.254 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.897 0.853 -17.516 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.094 0.858 -15.338 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.143 -0.277 -14.456 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.841 0.819 -15.672 1.00 0.00 H new ATOM 665 N PRO A 42 2.149 -3.762 -17.803 1.00 0.00 N ATOM 666 CA PRO A 42 1.946 -4.719 -18.870 1.00 0.00 C ATOM 667 C PRO A 42 1.089 -4.094 -19.961 1.00 0.00 C ATOM 668 O PRO A 42 0.880 -4.733 -20.991 1.00 0.00 O ATOM 669 CB PRO A 42 1.224 -5.892 -18.211 1.00 0.00 C ATOM 670 CG PRO A 42 0.427 -5.186 -17.046 1.00 0.00 C ATOM 671 CD PRO A 42 1.478 -4.177 -16.590 1.00 0.00 C ATOM 0 HA PRO A 42 2.878 -5.035 -19.340 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.559 -6.403 -18.907 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.922 -6.638 -17.832 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.488 -4.708 -17.396 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.142 -5.879 -16.255 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.017 -3.329 -16.084 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.178 -4.627 -15.886 1.00 0.00 H new ATOM 679 N SER A 43 0.616 -2.880 -19.722 1.00 0.00 N ATOM 680 CA SER A 43 -0.214 -2.194 -20.698 1.00 0.00 C ATOM 681 C SER A 43 0.578 -1.062 -21.356 1.00 0.00 C ATOM 682 O SER A 43 0.007 -0.044 -21.743 1.00 0.00 O ATOM 683 CB SER A 43 -1.487 -1.646 -20.051 1.00 0.00 C ATOM 684 OG SER A 43 -1.360 -0.269 -19.707 1.00 0.00 O ATOM 0 H SER A 43 0.792 -2.353 -18.866 1.00 0.00 H new ATOM 0 HA SER A 43 -0.509 -2.914 -21.462 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.325 -1.773 -20.736 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.716 -2.224 -19.156 1.00 0.00 H new ATOM 0 HG SER A 43 -1.212 0.259 -20.519 1.00 0.00 H new ATOM 690 N GLY A 44 1.881 -1.278 -21.462 1.00 0.00 N ATOM 691 CA GLY A 44 2.757 -0.289 -22.066 1.00 0.00 C ATOM 692 C GLY A 44 2.460 1.111 -21.522 1.00 0.00 C ATOM 693 O GLY A 44 1.734 1.882 -22.147 1.00 0.00 O ATOM 0 H GLY A 44 2.351 -2.124 -21.140 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.797 -0.548 -21.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.629 -0.297 -23.148 1.00 0.00 H new ATOM 697 N LYS A 45 3.037 1.395 -20.364 1.00 0.00 N ATOM 698 CA LYS A 45 2.844 2.688 -19.729 1.00 0.00 C ATOM 699 C LYS A 45 3.434 2.651 -18.318 1.00 0.00 C ATOM 700 O LYS A 45 2.912 1.965 -17.441 1.00 0.00 O ATOM 701 CB LYS A 45 1.368 3.089 -19.768 1.00 0.00 C ATOM 702 CG LYS A 45 1.063 4.164 -18.723 1.00 0.00 C ATOM 703 CD LYS A 45 0.239 5.301 -19.330 1.00 0.00 C ATOM 704 CE LYS A 45 -0.687 5.925 -18.285 1.00 0.00 C ATOM 705 NZ LYS A 45 -0.994 7.330 -18.637 1.00 0.00 N ATOM 0 H LYS A 45 3.638 0.752 -19.849 1.00 0.00 H new ATOM 0 HA LYS A 45 3.376 3.465 -20.277 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.115 3.460 -20.761 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.745 2.213 -19.586 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.519 3.721 -17.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.995 4.560 -18.321 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.906 6.064 -19.732 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.351 4.922 -20.164 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.611 5.350 -18.220 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.216 5.885 -17.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.624 7.739 -17.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.111 7.879 -18.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.463 7.361 -19.565 1.00 0.00 H new ATOM 719 N GLU A 46 4.514 3.399 -18.143 1.00 0.00 N ATOM 720 CA GLU A 46 5.180 3.460 -16.854 1.00 0.00 C ATOM 721 C GLU A 46 4.286 4.159 -15.827 1.00 0.00 C ATOM 722 O GLU A 46 3.435 4.969 -16.190 1.00 0.00 O ATOM 723 CB GLU A 46 6.535 4.162 -16.970 1.00 0.00 C ATOM 724 CG GLU A 46 6.359 5.633 -17.355 1.00 0.00 C ATOM 725 CD GLU A 46 6.389 5.809 -18.874 1.00 0.00 C ATOM 726 OE1 GLU A 46 7.350 5.295 -19.486 1.00 0.00 O ATOM 727 OE2 GLU A 46 5.451 6.454 -19.389 1.00 0.00 O ATOM 0 H GLU A 46 4.944 3.968 -18.873 1.00 0.00 H new ATOM 0 HA GLU A 46 5.364 2.441 -16.513 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.067 4.092 -16.021 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.147 3.657 -17.717 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.413 6.005 -16.961 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.151 6.229 -16.901 1.00 0.00 H new ATOM 734 N ALA A 47 4.511 3.820 -14.566 1.00 0.00 N ATOM 735 CA ALA A 47 3.737 4.405 -13.485 1.00 0.00 C ATOM 736 C ALA A 47 4.453 4.154 -12.156 1.00 0.00 C ATOM 737 O ALA A 47 5.489 3.491 -12.121 1.00 0.00 O ATOM 738 CB ALA A 47 2.320 3.828 -13.501 1.00 0.00 C ATOM 0 H ALA A 47 5.218 3.148 -14.269 1.00 0.00 H new ATOM 0 HA ALA A 47 3.652 5.484 -13.615 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.739 4.267 -12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.844 4.059 -14.454 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.366 2.747 -13.371 1.00 0.00 H new ATOM 744 N ALA A 48 3.873 4.697 -11.096 1.00 0.00 N ATOM 745 CA ALA A 48 4.443 4.540 -9.769 1.00 0.00 C ATOM 746 C ALA A 48 3.335 4.680 -8.723 1.00 0.00 C ATOM 747 O ALA A 48 2.343 5.369 -8.953 1.00 0.00 O ATOM 748 CB ALA A 48 5.564 5.562 -9.570 1.00 0.00 C ATOM 0 H ALA A 48 3.014 5.246 -11.129 1.00 0.00 H new ATOM 0 HA ALA A 48 4.882 3.549 -9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.991 5.444 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.339 5.402 -10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.161 6.569 -9.675 1.00 0.00 H new ATOM 754 N CYS A 49 3.542 4.014 -7.596 1.00 0.00 N ATOM 755 CA CYS A 49 2.573 4.056 -6.514 1.00 0.00 C ATOM 756 C CYS A 49 2.490 5.494 -5.998 1.00 0.00 C ATOM 757 O CYS A 49 1.558 5.845 -5.276 1.00 0.00 O ATOM 758 CB CYS A 49 2.928 3.070 -5.399 1.00 0.00 C ATOM 759 SG CYS A 49 3.175 1.343 -5.951 1.00 0.00 S ATOM 0 H CYS A 49 4.366 3.443 -7.409 1.00 0.00 H new ATOM 0 HA CYS A 49 1.596 3.748 -6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.838 3.413 -4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.135 3.088 -4.652 1.00 0.00 H new ATOM 0 HG CYS A 49 4.361 0.941 -5.602 1.00 0.00 H new ATOM 764 N ALA A 50 3.477 6.287 -6.389 1.00 0.00 N ATOM 765 CA ALA A 50 3.527 7.679 -5.976 1.00 0.00 C ATOM 766 C ALA A 50 3.020 8.564 -7.116 1.00 0.00 C ATOM 767 O ALA A 50 3.063 9.790 -7.023 1.00 0.00 O ATOM 768 CB ALA A 50 4.953 8.035 -5.552 1.00 0.00 C ATOM 0 H ALA A 50 4.248 5.992 -6.988 1.00 0.00 H new ATOM 0 HA ALA A 50 2.879 7.847 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.990 9.079 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.255 7.399 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.631 7.881 -6.391 1.00 0.00 H new ATOM 774 N SER A 51 2.550 7.908 -8.168 1.00 0.00 N ATOM 775 CA SER A 51 2.035 8.620 -9.325 1.00 0.00 C ATOM 776 C SER A 51 0.666 9.222 -9.003 1.00 0.00 C ATOM 777 O SER A 51 0.300 10.265 -9.542 1.00 0.00 O ATOM 778 CB SER A 51 1.936 7.696 -10.541 1.00 0.00 C ATOM 779 OG SER A 51 0.927 6.704 -10.376 1.00 0.00 O ATOM 0 H SER A 51 2.515 6.891 -8.243 1.00 0.00 H new ATOM 0 HA SER A 51 2.730 9.424 -9.569 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.720 8.289 -11.430 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.898 7.211 -10.707 1.00 0.00 H new ATOM 0 HG SER A 51 1.177 6.102 -9.644 1.00 0.00 H new ATOM 785 N CYS A 52 -0.054 8.538 -8.125 1.00 0.00 N ATOM 786 CA CYS A 52 -1.375 8.992 -7.725 1.00 0.00 C ATOM 787 C CYS A 52 -1.342 9.305 -6.228 1.00 0.00 C ATOM 788 O CYS A 52 -1.870 10.323 -5.785 1.00 0.00 O ATOM 789 CB CYS A 52 -2.454 7.964 -8.070 1.00 0.00 C ATOM 790 SG CYS A 52 -2.371 7.541 -9.848 1.00 0.00 S ATOM 0 H CYS A 52 0.253 7.673 -7.680 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.636 9.894 -8.278 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.318 7.066 -7.468 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.439 8.364 -7.829 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.153 7.208 -10.158 1.00 0.00 H new ATOM 795 N HIS A 53 -0.710 8.402 -5.477 1.00 0.00 N ATOM 796 CA HIS A 53 -0.576 8.529 -4.030 1.00 0.00 C ATOM 797 C HIS A 53 0.657 9.388 -3.695 1.00 0.00 C ATOM 798 O HIS A 53 1.114 9.394 -2.553 1.00 0.00 O ATOM 799 CB HIS A 53 -0.557 7.125 -3.408 1.00 0.00 C ATOM 800 CG HIS A 53 -1.693 6.201 -3.781 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.976 6.530 -3.603 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.693 4.941 -4.330 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.746 5.515 -4.025 1.00 0.00 C ATOM 804 NE2 HIS A 53 -3.005 4.508 -4.484 1.00 0.00 N ATOM 0 H HIS A 53 -0.277 7.561 -5.858 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.427 9.052 -3.594 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.380 6.642 -3.687 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.549 7.234 -2.323 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.315 7.409 -3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.813 4.376 -4.599 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.826 5.515 -3.996 1.00 0.00 H new ATOM 812 N THR A 54 1.155 10.085 -4.706 1.00 0.00 N ATOM 813 CA THR A 54 2.317 10.938 -4.527 1.00 0.00 C ATOM 814 C THR A 54 3.440 10.168 -3.828 1.00 0.00 C ATOM 815 O THR A 54 3.247 9.030 -3.404 1.00 0.00 O ATOM 816 CB THR A 54 1.873 12.189 -3.767 1.00 0.00 C ATOM 817 OG1 THR A 54 1.224 11.678 -2.606 1.00 0.00 O ATOM 818 CG2 THR A 54 0.774 12.960 -4.500 1.00 0.00 C ATOM 0 H THR A 54 0.774 10.076 -5.652 1.00 0.00 H new ATOM 0 HA THR A 54 2.729 11.253 -5.486 1.00 0.00 H new ATOM 0 HB THR A 54 2.731 12.842 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.699 10.881 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.496 13.838 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.140 13.274 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.098 12.318 -4.628 1.00 0.00 H new ATOM 826 N ASN A 55 4.589 10.821 -3.728 1.00 0.00 N ATOM 827 CA ASN A 55 5.742 10.213 -3.087 1.00 0.00 C ATOM 828 C ASN A 55 5.366 9.788 -1.666 1.00 0.00 C ATOM 829 O ASN A 55 5.973 8.877 -1.106 1.00 0.00 O ATOM 830 CB ASN A 55 6.905 11.203 -2.992 1.00 0.00 C ATOM 831 CG ASN A 55 6.439 12.542 -2.417 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.320 12.724 -1.217 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.184 13.467 -3.338 1.00 0.00 N ATOM 0 H ASN A 55 4.746 11.765 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 55 6.047 9.355 -3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.691 10.787 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.337 11.358 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.868 14.395 -3.055 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.304 13.249 -4.327 1.00 0.00 H new ATOM 840 N ASN A 56 4.367 10.468 -1.125 1.00 0.00 N ATOM 841 CA ASN A 56 3.902 10.172 0.220 1.00 0.00 C ATOM 842 C ASN A 56 2.386 9.970 0.199 1.00 0.00 C ATOM 843 O ASN A 56 1.618 10.835 -0.216 1.00 0.00 O ATOM 844 CB ASN A 56 4.212 11.326 1.176 1.00 0.00 C ATOM 845 CG ASN A 56 4.249 10.842 2.627 1.00 0.00 C ATOM 846 OD1 ASN A 56 4.648 9.728 2.926 1.00 0.00 O ATOM 847 ND2 ASN A 56 3.814 11.737 3.508 1.00 0.00 N ATOM 0 H ASN A 56 3.866 11.223 -1.593 1.00 0.00 H new ATOM 0 HA ASN A 56 4.413 9.272 0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.171 11.773 0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.457 12.105 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.800 11.509 4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.494 12.652 3.190 1.00 0.00 H new ATOM 854 N PRO A 57 1.968 8.790 0.662 1.00 0.00 N ATOM 855 CA PRO A 57 0.580 8.387 0.734 1.00 0.00 C ATOM 856 C PRO A 57 -0.137 9.215 1.792 1.00 0.00 C ATOM 857 O PRO A 57 -1.253 9.665 1.538 1.00 0.00 O ATOM 858 CB PRO A 57 0.620 6.912 1.128 1.00 0.00 C ATOM 859 CG PRO A 57 1.918 6.752 1.850 1.00 0.00 C ATOM 860 CD PRO A 57 2.843 7.750 1.157 1.00 0.00 C ATOM 0 HA PRO A 57 0.045 8.536 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.224 6.649 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.571 6.266 0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.815 6.973 2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.297 5.733 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.581 8.152 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.395 7.278 0.344 1.00 0.00 H new ATOM 868 N ALA A 58 0.502 9.397 2.938 1.00 0.00 N ATOM 869 CA ALA A 58 -0.095 10.170 4.013 1.00 0.00 C ATOM 870 C ALA A 58 -0.514 11.541 3.478 1.00 0.00 C ATOM 871 O ALA A 58 -1.328 12.229 4.093 1.00 0.00 O ATOM 872 CB ALA A 58 0.894 10.276 5.176 1.00 0.00 C ATOM 0 H ALA A 58 1.428 9.022 3.145 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.990 9.675 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.446 10.856 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.137 9.277 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.804 10.770 4.836 1.00 0.00 H new ATOM 878 N ASN A 59 0.060 11.897 2.338 1.00 0.00 N ATOM 879 CA ASN A 59 -0.244 13.173 1.714 1.00 0.00 C ATOM 880 C ASN A 59 -1.497 13.026 0.848 1.00 0.00 C ATOM 881 O ASN A 59 -2.090 11.950 0.785 1.00 0.00 O ATOM 882 CB ASN A 59 0.903 13.631 0.811 1.00 0.00 C ATOM 883 CG ASN A 59 0.985 15.158 0.761 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.011 15.865 0.962 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.198 15.626 0.483 1.00 0.00 N ATOM 0 H ASN A 59 0.734 11.324 1.830 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.396 13.908 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.845 13.225 1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.758 13.238 -0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.356 16.632 0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.971 14.979 0.325 1.00 0.00 H new ATOM 892 N VAL A 60 -1.864 14.124 0.203 1.00 0.00 N ATOM 893 CA VAL A 60 -3.036 14.131 -0.656 1.00 0.00 C ATOM 894 C VAL A 60 -2.645 13.636 -2.049 1.00 0.00 C ATOM 895 O VAL A 60 -1.852 14.274 -2.739 1.00 0.00 O ATOM 896 CB VAL A 60 -3.664 15.526 -0.672 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.644 15.673 -1.838 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.349 15.835 0.661 1.00 0.00 C ATOM 0 H VAL A 60 -1.370 15.015 0.258 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.796 13.451 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.863 16.252 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.076 16.674 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.116 15.517 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.439 14.933 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.787 16.832 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.134 15.101 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.615 15.792 1.466 1.00 0.00 H new ATOM 908 N GLY A 61 -3.219 12.501 -2.422 1.00 0.00 N ATOM 909 CA GLY A 61 -2.941 11.912 -3.721 1.00 0.00 C ATOM 910 C GLY A 61 -3.693 12.650 -4.830 1.00 0.00 C ATOM 911 O GLY A 61 -4.181 13.760 -4.622 1.00 0.00 O ATOM 0 H GLY A 61 -3.876 11.974 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.870 11.947 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.231 10.861 -3.717 1.00 0.00 H new ATOM 915 N LYS A 62 -3.764 12.004 -5.984 1.00 0.00 N ATOM 916 CA LYS A 62 -4.449 12.584 -7.127 1.00 0.00 C ATOM 917 C LYS A 62 -4.465 11.573 -8.274 1.00 0.00 C ATOM 918 O LYS A 62 -3.412 11.165 -8.762 1.00 0.00 O ATOM 919 CB LYS A 62 -3.822 13.929 -7.501 1.00 0.00 C ATOM 920 CG LYS A 62 -4.158 14.308 -8.944 1.00 0.00 C ATOM 921 CD LYS A 62 -2.923 14.200 -9.841 1.00 0.00 C ATOM 922 CE LYS A 62 -2.019 15.424 -9.679 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.401 15.786 -10.974 1.00 0.00 N ATOM 0 H LYS A 62 -3.358 11.084 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.488 12.801 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.183 14.703 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.740 13.877 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.944 13.655 -9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.547 15.326 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.366 13.297 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.232 14.107 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.599 16.265 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.242 15.215 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.791 16.618 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.831 14.989 -11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.146 16.006 -11.665 1.00 0.00 H new ATOM 937 N ASN A 63 -5.672 11.196 -8.672 1.00 0.00 N ATOM 938 CA ASN A 63 -5.839 10.240 -9.753 1.00 0.00 C ATOM 939 C ASN A 63 -5.453 10.902 -11.078 1.00 0.00 C ATOM 940 O ASN A 63 -5.965 11.968 -11.415 1.00 0.00 O ATOM 941 CB ASN A 63 -7.294 9.780 -9.861 1.00 0.00 C ATOM 942 CG ASN A 63 -7.708 8.979 -8.625 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.889 8.518 -7.848 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.024 8.841 -8.486 1.00 0.00 N ATOM 0 H ASN A 63 -6.543 11.536 -8.265 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.203 9.380 -9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.946 10.646 -9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.421 9.169 -10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.402 8.324 -7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.655 9.252 -9.173 1.00 0.00 H new ATOM 951 N ILE A 64 -4.553 10.242 -11.792 1.00 0.00 N ATOM 952 CA ILE A 64 -4.093 10.753 -13.072 1.00 0.00 C ATOM 953 C ILE A 64 -5.136 10.439 -14.146 1.00 0.00 C ATOM 954 O ILE A 64 -4.938 10.753 -15.319 1.00 0.00 O ATOM 955 CB ILE A 64 -2.698 10.214 -13.394 1.00 0.00 C ATOM 956 CG1 ILE A 64 -2.767 8.759 -13.864 1.00 0.00 C ATOM 957 CG2 ILE A 64 -1.755 10.386 -12.201 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.429 8.310 -14.455 1.00 0.00 C ATOM 0 H ILE A 64 -4.130 9.358 -11.509 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.990 11.837 -13.034 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.287 10.799 -14.217 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.033 8.115 -13.026 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.553 8.651 -14.611 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.770 9.995 -12.456 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.672 11.444 -11.952 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.150 9.842 -11.343 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.505 7.273 -14.781 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.178 8.941 -15.308 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.650 8.396 -13.698 1.00 0.00 H new ATOM 970 N VAL A 65 -6.224 9.823 -13.708 1.00 0.00 N ATOM 971 CA VAL A 65 -7.299 9.464 -14.617 1.00 0.00 C ATOM 972 C VAL A 65 -8.158 10.698 -14.898 1.00 0.00 C ATOM 973 O VAL A 65 -8.415 11.030 -16.055 1.00 0.00 O ATOM 974 CB VAL A 65 -8.102 8.295 -14.042 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.302 7.965 -14.931 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.214 7.066 -13.841 1.00 0.00 C ATOM 0 H VAL A 65 -6.384 9.563 -12.735 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.895 9.126 -15.571 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.481 8.597 -13.066 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.856 7.131 -14.500 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.954 8.836 -15.001 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.953 7.693 -15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.809 6.250 -13.431 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.791 6.762 -14.799 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.407 7.309 -13.149 1.00 0.00 H new ATOM 986 N THR A 66 -8.578 11.345 -13.821 1.00 0.00 N ATOM 987 CA THR A 66 -9.403 12.536 -13.938 1.00 0.00 C ATOM 988 C THR A 66 -8.603 13.779 -13.544 1.00 0.00 C ATOM 989 O THR A 66 -8.859 14.872 -14.048 1.00 0.00 O ATOM 990 CB THR A 66 -10.658 12.327 -13.088 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.154 12.114 -11.772 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.382 11.022 -13.425 1.00 0.00 C ATOM 0 H THR A 66 -8.363 11.067 -12.863 1.00 0.00 H new ATOM 0 HA THR A 66 -9.715 12.702 -14.969 1.00 0.00 H new ATOM 0 HB THR A 66 -11.338 13.167 -13.231 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.902 11.971 -11.155 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.265 10.922 -12.794 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.684 11.033 -14.472 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.713 10.179 -13.249 1.00 0.00 H new ATOM 1000 N GLY A 67 -7.649 13.571 -12.648 1.00 0.00 N ATOM 1001 CA GLY A 67 -6.810 14.662 -12.181 1.00 0.00 C ATOM 1002 C GLY A 67 -7.458 15.385 -10.999 1.00 0.00 C ATOM 1003 O GLY A 67 -7.465 16.614 -10.947 1.00 0.00 O ATOM 0 H GLY A 67 -7.438 12.663 -12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.835 14.275 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.639 15.368 -12.994 1.00 0.00 H new ATOM 1007 N LYS A 68 -7.987 14.592 -10.079 1.00 0.00 N ATOM 1008 CA LYS A 68 -8.636 15.141 -8.901 1.00 0.00 C ATOM 1009 C LYS A 68 -7.656 15.117 -7.726 1.00 0.00 C ATOM 1010 O LYS A 68 -6.445 15.035 -7.925 1.00 0.00 O ATOM 1011 CB LYS A 68 -9.949 14.407 -8.621 1.00 0.00 C ATOM 1012 CG LYS A 68 -11.112 15.393 -8.494 1.00 0.00 C ATOM 1013 CD LYS A 68 -12.023 15.326 -9.722 1.00 0.00 C ATOM 1014 CE LYS A 68 -13.494 15.236 -9.309 1.00 0.00 C ATOM 1015 NZ LYS A 68 -14.182 16.522 -9.559 1.00 0.00 N ATOM 0 H LYS A 68 -7.979 13.573 -10.126 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.909 16.183 -9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.153 13.700 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.857 13.827 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.688 15.168 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.725 16.405 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.869 16.209 -10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.758 14.460 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.986 14.439 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.566 14.978 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.179 16.444 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.722 17.275 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.129 16.753 -10.572 1.00 0.00 H new ATOM 1029 N GLU A 69 -8.216 15.190 -6.528 1.00 0.00 N ATOM 1030 CA GLU A 69 -7.406 15.178 -5.321 1.00 0.00 C ATOM 1031 C GLU A 69 -7.876 14.069 -4.378 1.00 0.00 C ATOM 1032 O GLU A 69 -8.916 14.196 -3.733 1.00 0.00 O ATOM 1033 CB GLU A 69 -7.440 16.540 -4.625 1.00 0.00 C ATOM 1034 CG GLU A 69 -8.876 17.049 -4.483 1.00 0.00 C ATOM 1035 CD GLU A 69 -9.434 17.500 -5.834 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -8.819 18.414 -6.425 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -10.463 16.921 -6.245 1.00 0.00 O ATOM 0 H GLU A 69 -9.221 15.258 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.372 14.976 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.980 16.460 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.851 17.258 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.506 16.261 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.903 17.880 -3.779 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.087 13.006 -4.327 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.409 11.875 -3.474 1.00 0.00 C ATOM 1046 C ILE A 70 -6.847 12.123 -2.072 1.00 0.00 C ATOM 1047 O ILE A 70 -5.640 12.207 -1.858 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.924 10.570 -4.108 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.545 10.369 -5.492 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.187 9.380 -3.183 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.793 9.488 -5.410 1.00 0.00 C ATOM 0 H ILE A 70 -6.225 12.904 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.489 11.771 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.845 10.638 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.806 11.336 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.815 9.911 -6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.833 8.465 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.659 9.528 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.257 9.298 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.215 9.361 -6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.524 8.513 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.530 9.961 -4.762 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.765 12.240 -1.109 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.459 12.475 0.285 1.00 0.00 C ATOM 1065 C PRO A 71 -6.365 11.517 0.736 1.00 0.00 C ATOM 1066 O PRO A 71 -6.063 10.548 0.044 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.766 12.200 1.025 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.820 12.513 0.017 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.193 12.147 -1.326 1.00 0.00 C ATOM 0 HA PRO A 71 -7.096 13.485 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.826 11.164 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.863 12.826 1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.727 11.937 0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.099 13.566 0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.481 11.142 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.518 12.828 -2.112 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.772 11.792 1.900 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.715 10.995 2.485 1.00 0.00 C ATOM 1079 C PRO A 72 -5.000 9.519 2.251 1.00 0.00 C ATOM 1080 O PRO A 72 -6.122 9.083 2.506 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.750 11.331 3.974 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.330 12.693 4.035 1.00 0.00 C ATOM 1083 CD PRO A 72 -6.103 12.924 2.739 1.00 0.00 C ATOM 0 HA PRO A 72 -3.737 11.202 2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.358 10.616 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.751 11.305 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.990 12.790 4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.544 13.439 4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.176 12.978 2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.812 13.863 2.268 1.00 0.00 H new ATOM 1091 N LEU A 73 -4.001 8.788 1.779 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.169 7.369 1.520 1.00 0.00 C ATOM 1093 C LEU A 73 -3.962 6.589 2.819 1.00 0.00 C ATOM 1094 O LEU A 73 -4.594 5.556 3.035 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.251 6.920 0.380 1.00 0.00 C ATOM 1096 CG LEU A 73 -2.897 5.431 0.351 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -3.991 4.621 -0.347 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -1.524 5.207 -0.285 1.00 0.00 C ATOM 0 H LEU A 73 -3.072 9.153 1.569 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.184 7.162 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.726 7.179 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.325 7.492 0.439 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.838 5.073 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.715 3.567 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.933 4.746 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.106 4.973 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.296 4.141 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.531 5.585 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.765 5.735 0.292 1.00 0.00 H new ATOM 1110 N ALA A 74 -3.074 7.114 3.652 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.776 6.480 4.924 1.00 0.00 C ATOM 1112 C ALA A 74 -4.070 5.943 5.538 1.00 0.00 C ATOM 1113 O ALA A 74 -4.858 6.669 6.139 1.00 0.00 O ATOM 1114 CB ALA A 74 -2.068 7.481 5.840 1.00 0.00 C ATOM 0 H ALA A 74 -2.552 7.971 3.470 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.103 5.634 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.844 7.005 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.140 7.809 5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.715 8.342 6.007 1.00 0.00 H new ATOM 1120 N PRO A 75 -4.274 4.634 5.369 1.00 0.00 N ATOM 1121 CA PRO A 75 -5.428 3.917 5.866 1.00 0.00 C ATOM 1122 C PRO A 75 -5.463 3.997 7.386 1.00 0.00 C ATOM 1123 O PRO A 75 -6.477 3.627 7.977 1.00 0.00 O ATOM 1124 CB PRO A 75 -5.227 2.477 5.398 1.00 0.00 C ATOM 1125 CG PRO A 75 -4.214 2.534 4.295 1.00 0.00 C ATOM 1126 CD PRO A 75 -3.368 3.750 4.667 1.00 0.00 C ATOM 0 HA PRO A 75 -6.371 4.327 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.877 1.847 6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.164 2.048 5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.615 1.624 4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.686 2.654 3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.525 3.467 5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.955 4.231 3.780 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.377 4.467 7.981 1.00 0.00 N ATOM 1135 CA ARG A 76 -4.306 4.582 9.427 1.00 0.00 C ATOM 1136 C ARG A 76 -4.658 6.006 9.864 1.00 0.00 C ATOM 1137 O ARG A 76 -5.460 6.199 10.777 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.909 4.229 9.941 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.950 3.846 11.422 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.791 4.489 12.187 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.943 4.239 13.638 1.00 0.00 N ATOM 1142 CZ ARG A 76 -1.419 5.019 14.593 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -0.707 6.103 14.257 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.607 4.715 15.884 1.00 0.00 N ATOM 0 H ARG A 76 -3.538 4.773 7.487 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.024 3.880 9.851 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.502 3.402 9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.240 5.078 9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.898 4.163 11.857 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.900 2.762 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.843 4.082 11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.768 5.562 11.995 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.480 3.422 13.929 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.564 6.335 13.274 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.308 6.697 14.984 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.149 3.890 16.140 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.208 5.309 16.611 1.00 0.00 H new ATOM 1158 N VAL A 77 -4.041 6.966 9.192 1.00 0.00 N ATOM 1159 CA VAL A 77 -4.279 8.367 9.499 1.00 0.00 C ATOM 1160 C VAL A 77 -5.786 8.617 9.585 1.00 0.00 C ATOM 1161 O VAL A 77 -6.254 9.301 10.494 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.584 9.255 8.465 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -4.192 10.658 8.450 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -2.076 9.312 8.716 1.00 0.00 C ATOM 0 H VAL A 77 -3.376 6.802 8.436 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.851 8.623 10.468 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.743 8.812 7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.680 11.269 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.251 10.593 8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.079 11.114 9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.606 9.950 7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.888 9.720 9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.658 8.307 8.651 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.503 8.048 8.628 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.948 8.200 8.585 1.00 0.00 C ATOM 1176 C ASN A 78 -8.605 6.975 9.223 1.00 0.00 C ATOM 1177 O ASN A 78 -8.172 5.846 8.999 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.447 8.307 7.142 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.481 9.129 6.287 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.496 9.670 6.762 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.817 9.192 5.001 1.00 0.00 N ATOM 0 H ASN A 78 -6.111 7.481 7.876 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.208 9.110 9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.556 7.309 6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.434 8.769 7.128 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.236 9.717 4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.656 8.715 4.669 1.00 0.00 H new ATOM 1188 N THR A 79 -9.641 7.240 10.007 1.00 0.00 N ATOM 1189 CA THR A 79 -10.362 6.173 10.679 1.00 0.00 C ATOM 1190 C THR A 79 -11.445 5.601 9.763 1.00 0.00 C ATOM 1191 O THR A 79 -12.168 4.683 10.147 1.00 0.00 O ATOM 1192 CB THR A 79 -10.910 6.729 11.995 1.00 0.00 C ATOM 1193 OG1 THR A 79 -11.539 7.952 11.619 1.00 0.00 O ATOM 1194 CG2 THR A 79 -9.801 7.161 12.956 1.00 0.00 C ATOM 0 H THR A 79 -9.997 8.178 10.191 1.00 0.00 H new ATOM 0 HA THR A 79 -9.703 5.336 10.912 1.00 0.00 H new ATOM 0 HB THR A 79 -11.533 5.975 12.476 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.924 8.379 12.413 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.245 7.548 13.873 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.169 6.304 13.191 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.198 7.939 12.489 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.524 6.168 8.568 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.507 5.726 7.593 1.00 0.00 C ATOM 1204 C LYS A 80 -11.790 5.055 6.420 1.00 0.00 C ATOM 1205 O LYS A 80 -12.078 5.350 5.261 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.410 6.889 7.178 1.00 0.00 C ATOM 1207 CG LYS A 80 -12.635 7.917 6.351 1.00 0.00 C ATOM 1208 CD LYS A 80 -13.267 9.305 6.470 1.00 0.00 C ATOM 1209 CE LYS A 80 -13.641 9.857 5.093 1.00 0.00 C ATOM 1210 NZ LYS A 80 -15.085 9.662 4.831 1.00 0.00 N ATOM 0 H LYS A 80 -10.923 6.930 8.253 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.169 4.979 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.252 6.511 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.823 7.368 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.599 7.955 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.618 7.610 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.156 9.251 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.571 9.985 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.396 10.918 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.055 9.356 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.322 10.042 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.309 8.647 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.640 10.160 5.556 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.869 4.165 6.761 1.00 0.00 N ATOM 1225 CA ARG A 81 -10.108 3.450 5.751 1.00 0.00 C ATOM 1226 C ARG A 81 -9.994 1.970 6.121 1.00 0.00 C ATOM 1227 O ARG A 81 -10.881 1.177 5.808 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.705 4.040 5.597 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.741 5.333 4.780 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.618 5.039 3.283 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.616 6.306 2.518 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.724 6.935 2.102 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.929 6.418 2.376 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.626 8.080 1.413 1.00 0.00 N ATOM 0 H ARG A 81 -10.633 3.923 7.723 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.638 3.551 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.280 4.239 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.053 3.315 5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.672 5.865 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.928 5.988 5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.700 4.485 3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.446 4.409 2.958 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.715 6.727 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.003 5.546 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.773 6.896 2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.708 8.473 1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.469 8.559 1.096 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.894 1.642 6.783 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.652 0.271 7.199 1.00 0.00 C ATOM 1250 C PHE A 82 -9.655 -0.162 8.270 1.00 0.00 C ATOM 1251 O PHE A 82 -9.283 -0.387 9.421 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.241 0.226 7.791 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.160 -0.184 6.790 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.431 -0.182 5.457 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.927 -0.551 7.233 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.426 -0.563 4.528 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.923 -0.931 6.303 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.194 -0.929 4.971 1.00 0.00 C ATOM 0 H PHE A 82 -8.161 2.302 7.041 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.758 -0.401 6.347 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.995 1.209 8.193 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.231 -0.473 8.628 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.410 0.109 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.712 -0.553 8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.641 -0.562 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.944 -1.222 6.654 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.430 -1.218 4.264 1.00 0.00 H new ATOM 1268 N THR A 83 -10.909 -0.267 7.853 1.00 0.00 N ATOM 1269 CA THR A 83 -11.968 -0.669 8.762 1.00 0.00 C ATOM 1270 C THR A 83 -12.266 -2.162 8.607 1.00 0.00 C ATOM 1271 O THR A 83 -12.136 -2.927 9.561 1.00 0.00 O ATOM 1272 CB THR A 83 -13.182 0.223 8.497 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.702 1.543 8.737 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.287 0.034 9.539 1.00 0.00 C ATOM 0 H THR A 83 -11.215 -0.081 6.898 1.00 0.00 H new ATOM 0 HA THR A 83 -11.669 -0.535 9.802 1.00 0.00 H new ATOM 0 HB THR A 83 -13.579 0.010 7.504 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.425 2.187 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 83 -15.125 0.690 9.304 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.624 -1.003 9.528 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.900 0.279 10.528 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.660 -2.531 7.397 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.978 -3.919 7.105 1.00 0.00 C ATOM 1284 C ASP A 84 -11.702 -4.652 6.688 1.00 0.00 C ATOM 1285 O ASP A 84 -11.034 -4.251 5.736 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.981 -4.024 5.955 1.00 0.00 C ATOM 1287 CG ASP A 84 -15.085 -2.964 5.961 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -15.535 -2.620 7.075 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.454 -2.523 4.851 1.00 0.00 O ATOM 0 H ASP A 84 -12.766 -1.894 6.608 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.411 -4.362 8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.438 -3.956 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.445 -5.010 5.986 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.401 -5.714 7.420 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.217 -6.507 7.138 1.00 0.00 C ATOM 1296 C ILE A 85 -10.627 -7.785 6.403 1.00 0.00 C ATOM 1297 O ILE A 85 -10.355 -8.889 6.871 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.425 -6.764 8.422 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -7.954 -7.047 8.112 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -10.063 -7.885 9.245 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -7.144 -7.211 9.399 1.00 0.00 C ATOM 0 H ILE A 85 -11.957 -6.044 8.209 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.542 -5.961 6.478 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.458 -5.860 9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.873 -7.952 7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.540 -6.231 7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.481 -8.047 10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.082 -7.605 9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.082 -8.803 8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.102 -7.411 9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.207 -6.296 9.988 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.545 -8.043 9.978 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.276 -7.592 5.264 1.00 0.00 N ATOM 1314 CA ASP A 86 -11.726 -8.715 4.460 1.00 0.00 C ATOM 1315 C ASP A 86 -11.741 -8.307 2.985 1.00 0.00 C ATOM 1316 O ASP A 86 -11.186 -9.005 2.138 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.144 -9.137 4.848 1.00 0.00 C ATOM 1318 CG ASP A 86 -13.320 -9.544 6.312 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -12.539 -10.413 6.757 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -14.231 -8.977 6.954 1.00 0.00 O ATOM 0 H ASP A 86 -11.501 -6.675 4.879 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.043 -9.547 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.824 -8.313 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.444 -9.973 4.216 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.383 -7.178 2.723 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.478 -6.669 1.365 1.00 0.00 C ATOM 1327 C LYS A 87 -11.266 -5.782 1.072 1.00 0.00 C ATOM 1328 O LYS A 87 -11.122 -5.269 -0.036 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.820 -5.968 1.149 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.736 -6.802 0.251 1.00 0.00 C ATOM 1331 CD LYS A 87 -16.205 -6.602 0.629 1.00 0.00 C ATOM 1332 CE LYS A 87 -17.130 -7.060 -0.500 1.00 0.00 C ATOM 1333 NZ LYS A 87 -18.010 -8.157 -0.038 1.00 0.00 N ATOM 0 H LYS A 87 -12.842 -6.601 3.428 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.454 -7.489 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.304 -5.798 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.655 -4.990 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.583 -6.521 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.475 -7.857 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.430 -7.161 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.387 -5.550 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.735 -6.221 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.537 -7.396 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.631 -8.455 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.428 -8.963 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.590 -7.825 0.759 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.427 -5.628 2.086 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.232 -4.812 1.950 1.00 0.00 C ATOM 1349 C VAL A 88 -8.117 -5.648 1.319 1.00 0.00 C ATOM 1350 O VAL A 88 -7.224 -5.107 0.669 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.843 -4.225 3.309 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.684 -5.006 3.931 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.500 -2.739 3.186 1.00 0.00 C ATOM 0 H VAL A 88 -10.551 -6.054 3.004 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.419 -3.968 1.287 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.703 -4.316 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.427 -4.569 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.980 -6.046 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.818 -4.961 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.227 -2.346 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.663 -2.614 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.365 -2.196 2.806 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.206 -6.952 1.532 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.216 -7.868 0.992 1.00 0.00 C ATOM 1365 C GLU A 89 -7.394 -8.010 -0.521 1.00 0.00 C ATOM 1366 O GLU A 89 -6.433 -7.878 -1.278 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.294 -9.231 1.684 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.256 -10.197 1.110 1.00 0.00 C ATOM 1369 CD GLU A 89 -6.714 -11.649 1.264 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -7.392 -11.925 2.278 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -6.376 -12.450 0.366 1.00 0.00 O ATOM 0 H GLU A 89 -8.949 -7.397 2.071 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.225 -7.456 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.130 -9.109 2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.293 -9.649 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.090 -9.974 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.303 -10.057 1.619 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.630 -8.278 -0.917 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.946 -8.439 -2.326 1.00 0.00 C ATOM 1380 C ASP A 90 -8.703 -7.115 -3.053 1.00 0.00 C ATOM 1381 O ASP A 90 -8.064 -7.089 -4.104 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.414 -8.823 -2.520 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.871 -10.051 -1.731 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.034 -10.965 -1.566 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.048 -10.049 -1.309 1.00 0.00 O ATOM 0 H ASP A 90 -9.424 -8.388 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.311 -9.229 -2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.036 -7.975 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.589 -9.005 -3.580 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.225 -6.049 -2.465 1.00 0.00 N ATOM 1391 CA GLU A 91 -9.073 -4.725 -3.044 1.00 0.00 C ATOM 1392 C GLU A 91 -7.592 -4.409 -3.264 1.00 0.00 C ATOM 1393 O GLU A 91 -7.252 -3.536 -4.060 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.737 -3.663 -2.166 1.00 0.00 C ATOM 1395 CG GLU A 91 -11.253 -3.656 -2.365 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.671 -2.569 -3.359 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -11.446 -1.384 -3.030 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.205 -2.948 -4.423 1.00 0.00 O ATOM 0 H GLU A 91 -9.754 -6.075 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.574 -4.713 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.505 -3.855 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.331 -2.681 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.580 -4.630 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.748 -3.489 -1.408 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.751 -5.136 -2.543 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.315 -4.944 -2.648 1.00 0.00 C ATOM 1407 C PHE A 92 -4.734 -5.770 -3.798 1.00 0.00 C ATOM 1408 O PHE A 92 -3.737 -5.382 -4.404 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.701 -5.423 -1.331 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.926 -4.341 -0.577 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -3.041 -3.550 -1.241 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.121 -4.171 0.758 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.322 -2.546 -0.540 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.401 -3.167 1.459 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.516 -2.376 0.795 1.00 0.00 C ATOM 0 H PHE A 92 -7.037 -5.859 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.094 -3.894 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.495 -5.802 -0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.032 -6.259 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.885 -3.685 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.823 -4.799 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.620 -1.917 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.556 -3.032 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.968 -1.613 1.328 1.00 0.00 H new ATOM 1425 N THR A 93 -5.384 -6.894 -4.064 1.00 0.00 N ATOM 1426 CA THR A 93 -4.944 -7.778 -5.130 1.00 0.00 C ATOM 1427 C THR A 93 -5.542 -7.338 -6.468 1.00 0.00 C ATOM 1428 O THR A 93 -4.864 -7.368 -7.494 1.00 0.00 O ATOM 1429 CB THR A 93 -5.317 -9.210 -4.740 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.141 -9.716 -4.114 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.511 -10.116 -5.957 1.00 0.00 C ATOM 0 H THR A 93 -6.212 -7.212 -3.560 1.00 0.00 H new ATOM 0 HA THR A 93 -3.863 -7.732 -5.262 1.00 0.00 H new ATOM 0 HB THR A 93 -6.231 -9.199 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.350 -9.310 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.774 -11.120 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.311 -9.719 -6.582 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.586 -10.155 -6.533 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.804 -6.939 -6.413 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.500 -6.493 -7.608 1.00 0.00 C ATOM 1441 C LYS A 94 -6.839 -5.217 -8.132 1.00 0.00 C ATOM 1442 O LYS A 94 -6.811 -4.969 -9.336 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.997 -6.341 -7.331 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.560 -7.596 -6.660 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.638 -8.245 -7.530 1.00 0.00 C ATOM 1446 CE LYS A 94 -11.645 -9.014 -6.672 1.00 0.00 C ATOM 1447 NZ LYS A 94 -12.537 -8.076 -5.954 1.00 0.00 N ATOM 0 H LYS A 94 -7.363 -6.915 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.420 -7.241 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.166 -5.475 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.526 -6.155 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.755 -8.309 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.979 -7.336 -5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.156 -7.478 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.173 -8.922 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.237 -9.678 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.116 -9.643 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.393 -8.579 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.041 -7.692 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.804 -7.297 -6.589 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.315 -4.427 -7.193 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.645 -3.169 -7.501 1.00 0.00 C ATOM 1463 C HIS A 95 -4.357 -3.447 -8.299 1.00 0.00 C ATOM 1464 O HIS A 95 -4.184 -2.988 -9.425 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.424 -2.392 -6.195 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.967 -0.957 -6.327 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.938 -0.316 -7.499 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.521 -0.057 -5.388 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.491 0.933 -7.299 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.219 1.146 -6.013 1.00 0.00 N ATOM 0 H HIS A 95 -6.345 -4.645 -6.197 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.259 -2.536 -8.142 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.357 -2.401 -5.632 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.687 -2.930 -5.600 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.421 -0.254 -4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.368 1.670 -8.079 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.867 2.002 -5.583 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.457 -4.215 -7.681 1.00 0.00 N ATOM 1479 CA CYS A 96 -2.195 -4.569 -8.299 1.00 0.00 C ATOM 1480 C CYS A 96 -2.454 -5.207 -9.656 1.00 0.00 C ATOM 1481 O CYS A 96 -1.573 -5.151 -10.513 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.433 -5.526 -7.386 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.431 -4.555 -6.233 1.00 0.00 S ATOM 0 H CYS A 96 -3.588 -4.602 -6.746 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.590 -3.674 -8.447 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.130 -6.161 -6.839 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.797 -6.185 -7.976 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.631 -5.790 -9.827 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.975 -6.428 -11.086 1.00 0.00 C ATOM 1490 C ASN A 97 -4.366 -5.356 -12.106 1.00 0.00 C ATOM 1491 O ASN A 97 -4.418 -5.624 -13.305 1.00 0.00 O ATOM 1492 CB ASN A 97 -5.164 -7.376 -10.917 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.728 -8.835 -11.068 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -4.268 -9.267 -12.112 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.898 -9.566 -9.971 1.00 0.00 N ATOM 0 H ASN A 97 -4.359 -5.834 -9.114 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.108 -6.995 -11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.616 -7.227 -9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.928 -7.142 -11.658 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.638 -10.552 -9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.289 -9.141 -9.130 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.631 -4.164 -11.591 1.00 0.00 N ATOM 1503 CA ASP A 98 -5.016 -3.050 -12.441 1.00 0.00 C ATOM 1504 C ASP A 98 -3.906 -1.997 -12.428 1.00 0.00 C ATOM 1505 O ASP A 98 -4.010 -0.972 -13.100 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.300 -2.390 -11.937 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.418 -2.273 -12.975 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -8.166 -3.264 -13.117 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -7.499 -1.196 -13.602 1.00 0.00 O ATOM 0 H ASP A 98 -4.587 -3.945 -10.596 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.180 -3.435 -13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.673 -2.959 -11.086 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.058 -1.392 -11.572 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.869 -2.286 -11.656 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.742 -1.376 -11.546 1.00 0.00 C ATOM 1516 C ILE A 99 -0.501 -2.033 -12.156 1.00 0.00 C ATOM 1517 O ILE A 99 0.111 -1.482 -13.069 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.551 -0.931 -10.095 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.786 -0.187 -9.583 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.276 -0.101 -9.938 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.213 0.907 -10.564 1.00 0.00 C ATOM 0 H ILE A 99 -2.786 -3.137 -11.101 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.932 -0.464 -12.112 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.432 -1.822 -9.478 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.605 -0.891 -9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.571 0.255 -8.610 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.165 0.202 -8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.586 -0.698 -10.236 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.339 0.785 -10.569 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.093 1.420 -10.176 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.400 1.623 -10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.451 0.458 -11.529 1.00 0.00 H new ATOM 1533 N LEU A 100 -0.168 -3.200 -11.625 1.00 0.00 N ATOM 1534 CA LEU A 100 0.989 -3.937 -12.105 1.00 0.00 C ATOM 1535 C LEU A 100 0.550 -4.904 -13.207 1.00 0.00 C ATOM 1536 O LEU A 100 1.367 -5.339 -14.017 1.00 0.00 O ATOM 1537 CB LEU A 100 1.711 -4.618 -10.941 1.00 0.00 C ATOM 1538 CG LEU A 100 2.475 -3.693 -9.992 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.211 -4.496 -8.918 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.418 -2.771 -10.766 1.00 0.00 C ATOM 0 H LEU A 100 -0.679 -3.653 -10.867 1.00 0.00 H new ATOM 0 HA LEU A 100 1.717 -3.257 -12.548 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.976 -5.175 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.412 -5.345 -11.350 1.00 0.00 H new ATOM 0 HG LEU A 100 1.753 -3.057 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.746 -3.814 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.491 -5.074 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.921 -5.173 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.949 -2.124 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.137 -3.371 -11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.841 -2.160 -11.460 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.739 -5.212 -13.201 1.00 0.00 N ATOM 1553 CA GLY A 101 -1.296 -6.120 -14.189 1.00 0.00 C ATOM 1554 C GLY A 101 -1.372 -7.547 -13.642 1.00 0.00 C ATOM 1555 O GLY A 101 -1.615 -8.491 -14.393 1.00 0.00 O ATOM 0 H GLY A 101 -1.413 -4.849 -12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.292 -5.784 -14.476 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.682 -6.104 -15.089 1.00 0.00 H new ATOM 1559 N ALA A 102 -1.162 -7.659 -12.339 1.00 0.00 N ATOM 1560 CA ALA A 102 -1.204 -8.955 -11.683 1.00 0.00 C ATOM 1561 C ALA A 102 -1.368 -8.753 -10.175 1.00 0.00 C ATOM 1562 O ALA A 102 -1.653 -7.646 -9.721 1.00 0.00 O ATOM 1563 CB ALA A 102 0.059 -9.745 -12.031 1.00 0.00 C ATOM 0 H ALA A 102 -0.962 -6.874 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.058 -9.535 -12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.027 -10.717 -11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.114 -9.886 -13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.937 -9.195 -11.692 1.00 0.00 H new ATOM 1569 N ASP A 103 -1.182 -9.840 -9.441 1.00 0.00 N ATOM 1570 CA ASP A 103 -1.306 -9.796 -7.995 1.00 0.00 C ATOM 1571 C ASP A 103 0.077 -9.586 -7.375 1.00 0.00 C ATOM 1572 O ASP A 103 1.024 -10.327 -7.628 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.874 -11.108 -7.450 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.545 -11.004 -6.080 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -2.095 -10.144 -5.292 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.493 -11.785 -5.851 1.00 0.00 O ATOM 0 H ASP A 103 -0.946 -10.757 -9.821 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.980 -8.978 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.600 -11.496 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.067 -11.837 -7.388 1.00 0.00 H new ATOM 1581 N CYS A 104 0.171 -8.545 -6.545 1.00 0.00 N ATOM 1582 CA CYS A 104 1.410 -8.207 -5.873 1.00 0.00 C ATOM 1583 C CYS A 104 1.788 -9.321 -4.908 1.00 0.00 C ATOM 1584 O CYS A 104 0.927 -10.137 -4.581 1.00 0.00 O ATOM 1585 CB CYS A 104 1.242 -6.882 -5.133 1.00 0.00 C ATOM 1586 SG CYS A 104 1.321 -5.531 -6.335 1.00 0.00 S ATOM 0 H CYS A 104 -0.607 -7.922 -6.326 1.00 0.00 H new ATOM 0 HA CYS A 104 2.210 -8.098 -6.605 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.289 -6.863 -4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.024 -6.766 -4.383 1.00 0.00 H new ATOM 1591 N SER A 105 3.040 -9.339 -4.477 1.00 0.00 N ATOM 1592 CA SER A 105 3.500 -10.362 -3.554 1.00 0.00 C ATOM 1593 C SER A 105 3.029 -10.036 -2.135 1.00 0.00 C ATOM 1594 O SER A 105 2.860 -8.880 -1.753 1.00 0.00 O ATOM 1595 CB SER A 105 5.024 -10.493 -3.591 1.00 0.00 C ATOM 1596 OG SER A 105 5.480 -11.632 -2.866 1.00 0.00 O ATOM 0 H SER A 105 3.751 -8.661 -4.750 1.00 0.00 H new ATOM 0 HA SER A 105 3.073 -11.317 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.357 -10.565 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.475 -9.593 -3.174 1.00 0.00 H new ATOM 0 HG SER A 105 6.458 -11.681 -2.915 1.00 0.00 H new ATOM 1602 N PRO A 106 2.819 -11.097 -1.352 1.00 0.00 N ATOM 1603 CA PRO A 106 2.375 -11.022 0.023 1.00 0.00 C ATOM 1604 C PRO A 106 3.461 -10.382 0.876 1.00 0.00 C ATOM 1605 O PRO A 106 3.182 -10.018 2.017 1.00 0.00 O ATOM 1606 CB PRO A 106 2.135 -12.472 0.437 1.00 0.00 C ATOM 1607 CG PRO A 106 2.137 -13.293 -0.824 1.00 0.00 C ATOM 1608 CD PRO A 106 3.009 -12.470 -1.769 1.00 0.00 C ATOM 0 HA PRO A 106 1.477 -10.417 0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.913 -12.812 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.184 -12.572 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.550 -14.288 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.130 -13.428 -1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.056 -12.763 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.710 -12.612 -2.807 1.00 0.00 H new ATOM 1616 N SER A 107 4.658 -10.260 0.321 1.00 0.00 N ATOM 1617 CA SER A 107 5.764 -9.665 1.051 1.00 0.00 C ATOM 1618 C SER A 107 5.791 -8.153 0.818 1.00 0.00 C ATOM 1619 O SER A 107 5.993 -7.382 1.755 1.00 0.00 O ATOM 1620 CB SER A 107 7.097 -10.290 0.635 1.00 0.00 C ATOM 1621 OG SER A 107 7.476 -9.912 -0.685 1.00 0.00 O ATOM 0 H SER A 107 4.886 -10.563 -0.626 1.00 0.00 H new ATOM 0 HA SER A 107 5.618 -9.860 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.874 -9.986 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.022 -11.376 0.693 1.00 0.00 H new ATOM 0 HG SER A 107 8.333 -10.330 -0.912 1.00 0.00 H new ATOM 1627 N GLU A 108 5.585 -7.776 -0.435 1.00 0.00 N ATOM 1628 CA GLU A 108 5.584 -6.370 -0.802 1.00 0.00 C ATOM 1629 C GLU A 108 4.348 -5.673 -0.229 1.00 0.00 C ATOM 1630 O GLU A 108 4.210 -4.456 -0.338 1.00 0.00 O ATOM 1631 CB GLU A 108 5.655 -6.199 -2.320 1.00 0.00 C ATOM 1632 CG GLU A 108 4.430 -6.815 -2.999 1.00 0.00 C ATOM 1633 CD GLU A 108 4.403 -6.479 -4.492 1.00 0.00 C ATOM 1634 OE1 GLU A 108 5.037 -7.238 -5.256 1.00 0.00 O ATOM 1635 OE2 GLU A 108 3.749 -5.470 -4.834 1.00 0.00 O ATOM 0 H GLU A 108 5.418 -8.419 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 108 6.472 -5.903 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 108 5.718 -5.139 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.561 -6.670 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.442 -7.897 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.522 -6.445 -2.523 1.00 0.00 H new ATOM 1642 N LYS A 109 3.479 -6.475 0.369 1.00 0.00 N ATOM 1643 CA LYS A 109 2.259 -5.951 0.959 1.00 0.00 C ATOM 1644 C LYS A 109 2.476 -5.731 2.457 1.00 0.00 C ATOM 1645 O LYS A 109 2.477 -4.595 2.928 1.00 0.00 O ATOM 1646 CB LYS A 109 1.074 -6.863 0.637 1.00 0.00 C ATOM 1647 CG LYS A 109 0.704 -6.778 -0.846 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.482 -5.835 -1.062 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.389 -6.344 -2.184 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.796 -7.743 -1.927 1.00 0.00 N ATOM 0 H LYS A 109 3.596 -7.484 0.458 1.00 0.00 H new ATOM 0 HA LYS A 109 2.012 -4.981 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.322 -7.893 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.216 -6.579 1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.562 -6.426 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.456 -7.771 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.054 -5.747 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.118 -4.837 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.273 -5.710 -2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.867 -6.280 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.756 -7.899 -2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.133 -8.390 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.786 -7.925 -0.903 1.00 0.00 H new ATOM 1664 N ALA A 110 2.655 -6.837 3.166 1.00 0.00 N ATOM 1665 CA ALA A 110 2.872 -6.779 4.601 1.00 0.00 C ATOM 1666 C ALA A 110 3.866 -5.660 4.918 1.00 0.00 C ATOM 1667 O ALA A 110 3.839 -5.090 6.008 1.00 0.00 O ATOM 1668 CB ALA A 110 3.352 -8.143 5.100 1.00 0.00 C ATOM 0 H ALA A 110 2.654 -7.778 2.773 1.00 0.00 H new ATOM 0 HA ALA A 110 1.942 -6.550 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.515 -8.100 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.598 -8.898 4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.286 -8.405 4.602 1.00 0.00 H new ATOM 1674 N ASN A 111 4.720 -5.377 3.944 1.00 0.00 N ATOM 1675 CA ASN A 111 5.720 -4.336 4.105 1.00 0.00 C ATOM 1676 C ASN A 111 5.043 -2.967 4.025 1.00 0.00 C ATOM 1677 O ASN A 111 5.182 -2.147 4.931 1.00 0.00 O ATOM 1678 CB ASN A 111 6.774 -4.409 2.998 1.00 0.00 C ATOM 1679 CG ASN A 111 8.087 -3.764 3.447 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.115 -4.410 3.568 1.00 0.00 O ATOM 1681 ND2 ASN A 111 7.995 -2.460 3.687 1.00 0.00 N ATOM 0 H ASN A 111 4.739 -5.851 3.041 1.00 0.00 H new ATOM 0 HA ASN A 111 6.203 -4.479 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 111 6.950 -5.450 2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.404 -3.905 2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.817 -1.938 3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.103 -1.981 3.566 1.00 0.00 H new ATOM 1688 N PHE A 112 4.325 -2.761 2.931 1.00 0.00 N ATOM 1689 CA PHE A 112 3.625 -1.505 2.720 1.00 0.00 C ATOM 1690 C PHE A 112 2.707 -1.183 3.901 1.00 0.00 C ATOM 1691 O PHE A 112 2.691 -0.055 4.389 1.00 0.00 O ATOM 1692 CB PHE A 112 2.775 -1.673 1.459 1.00 0.00 C ATOM 1693 CG PHE A 112 2.039 -0.401 1.031 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.739 0.735 0.772 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.684 -0.408 0.909 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.056 1.915 0.375 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.001 0.772 0.512 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.702 1.908 0.253 1.00 0.00 C ATOM 0 H PHE A 112 4.213 -3.443 2.181 1.00 0.00 H new ATOM 0 HA PHE A 112 4.343 -0.691 2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.417 -2.002 0.642 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.044 -2.464 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.815 0.740 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.128 -1.311 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.612 2.818 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.075 0.767 0.416 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.183 2.805 -0.050 1.00 0.00 H new ATOM 1708 N ILE A 113 1.966 -2.196 4.326 1.00 0.00 N ATOM 1709 CA ILE A 113 1.048 -2.035 5.440 1.00 0.00 C ATOM 1710 C ILE A 113 1.805 -1.464 6.641 1.00 0.00 C ATOM 1711 O ILE A 113 1.285 -0.611 7.358 1.00 0.00 O ATOM 1712 CB ILE A 113 0.329 -3.353 5.737 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.865 -3.549 4.801 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.077 -3.437 7.210 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.796 -4.909 4.102 1.00 0.00 C ATOM 0 H ILE A 113 1.983 -3.131 3.919 1.00 0.00 H new ATOM 0 HA ILE A 113 0.264 -1.321 5.187 1.00 0.00 H new ATOM 0 HB ILE A 113 1.024 -4.171 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.793 -3.474 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.882 -2.754 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.586 -4.383 7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.813 -3.376 7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.747 -2.612 7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.656 -5.023 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.121 -4.971 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.804 -5.703 4.849 1.00 0.00 H new ATOM 1727 N ALA A 114 3.021 -1.957 6.822 1.00 0.00 N ATOM 1728 CA ALA A 114 3.855 -1.506 7.923 1.00 0.00 C ATOM 1729 C ALA A 114 4.180 -0.022 7.737 1.00 0.00 C ATOM 1730 O ALA A 114 3.781 0.837 8.520 1.00 0.00 O ATOM 1731 CB ALA A 114 5.113 -2.373 7.999 1.00 0.00 C ATOM 0 H ALA A 114 3.449 -2.664 6.225 1.00 0.00 H new ATOM 0 HA ALA A 114 3.328 -1.612 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.739 -2.035 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.829 -3.413 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.669 -2.290 7.065 1.00 0.00 H new ATOM 1737 N TYR A 115 4.924 0.262 6.666 1.00 0.00 N ATOM 1738 CA TYR A 115 5.319 1.620 6.350 1.00 0.00 C ATOM 1739 C TYR A 115 4.122 2.550 6.484 1.00 0.00 C ATOM 1740 O TYR A 115 4.295 3.680 6.939 1.00 0.00 O ATOM 1741 CB TYR A 115 5.885 1.667 4.934 1.00 0.00 C ATOM 1742 CG TYR A 115 7.077 2.584 4.791 1.00 0.00 C ATOM 1743 CD1 TYR A 115 6.887 3.937 4.487 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.372 2.080 4.963 1.00 0.00 C ATOM 1745 CE1 TYR A 115 7.992 4.786 4.354 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.476 2.929 4.830 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.286 4.283 4.526 1.00 0.00 C ATOM 1748 OH TYR A 115 10.363 5.110 4.396 1.00 0.00 O ATOM 0 H TYR A 115 5.262 -0.439 6.006 1.00 0.00 H new ATOM 0 HA TYR A 115 6.090 1.950 7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.173 0.660 4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.102 1.993 4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.888 4.326 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.519 1.036 5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.845 5.830 4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.475 2.540 4.962 1.00 0.00 H new ATOM 0 HH TYR A 115 11.187 4.601 4.548 1.00 0.00 H new ATOM 1758 N LEU A 116 2.951 2.070 6.093 1.00 0.00 N ATOM 1759 CA LEU A 116 1.745 2.876 6.179 1.00 0.00 C ATOM 1760 C LEU A 116 1.377 3.081 7.650 1.00 0.00 C ATOM 1761 O LEU A 116 0.909 4.152 8.034 1.00 0.00 O ATOM 1762 CB LEU A 116 0.623 2.253 5.346 1.00 0.00 C ATOM 1763 CG LEU A 116 0.018 3.147 4.261 1.00 0.00 C ATOM 1764 CD1 LEU A 116 1.108 3.923 3.519 1.00 0.00 C ATOM 1765 CD2 LEU A 116 -0.858 2.334 3.306 1.00 0.00 C ATOM 0 H LEU A 116 2.811 1.133 5.716 1.00 0.00 H new ATOM 0 HA LEU A 116 1.917 3.864 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.008 1.350 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.175 1.944 6.021 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.627 3.881 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.651 4.550 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.653 4.550 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.798 3.222 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.276 2.993 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.255 1.563 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.668 1.866 3.865 1.00 0.00 H new ATOM 1777 N LEU A 117 1.602 2.036 8.434 1.00 0.00 N ATOM 1778 CA LEU A 117 1.300 2.088 9.854 1.00 0.00 C ATOM 1779 C LEU A 117 2.552 2.518 10.622 1.00 0.00 C ATOM 1780 O LEU A 117 2.690 2.220 11.808 1.00 0.00 O ATOM 1781 CB LEU A 117 0.717 0.755 10.327 1.00 0.00 C ATOM 1782 CG LEU A 117 1.732 -0.331 10.689 1.00 0.00 C ATOM 1783 CD1 LEU A 117 2.069 -0.290 12.181 1.00 0.00 C ATOM 1784 CD2 LEU A 117 1.240 -1.711 10.250 1.00 0.00 C ATOM 0 H LEU A 117 1.990 1.149 8.112 1.00 0.00 H new ATOM 0 HA LEU A 117 0.531 2.835 10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.091 0.944 11.199 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.065 0.368 9.544 1.00 0.00 H new ATOM 0 HG LEU A 117 2.655 -0.131 10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.792 -1.072 12.412 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.493 0.682 12.432 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.162 -0.451 12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.981 -2.464 10.520 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.296 -1.936 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.092 -1.718 9.170 1.00 0.00 H new ATOM 1796 N THR A 118 3.432 3.212 9.915 1.00 0.00 N ATOM 1797 CA THR A 118 4.667 3.686 10.515 1.00 0.00 C ATOM 1798 C THR A 118 4.781 5.205 10.371 1.00 0.00 C ATOM 1799 O THR A 118 4.497 5.944 11.312 1.00 0.00 O ATOM 1800 CB THR A 118 5.828 2.926 9.871 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.793 1.645 10.496 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.192 3.496 10.265 1.00 0.00 C ATOM 0 H THR A 118 3.314 3.457 8.932 1.00 0.00 H new ATOM 0 HA THR A 118 4.686 3.490 11.587 1.00 0.00 H new ATOM 0 HB THR A 118 5.723 2.954 8.786 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.161 1.066 10.021 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.981 2.920 9.781 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.256 4.537 9.949 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.312 3.437 11.347 1.00 0.00 H new