USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 SER OG : rot -74:sc= 0.867 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.588 USER MOD Set 2.1: A 73 GLN :FLIP amide:sc= -0.406 F(o=-4.2,f=-0.59) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.186 K(o=-0.59,f=-3.3!) USER MOD Set 3.1: A 43 MET CE :methyl 143:sc= -13.7! (180deg=-15.9!) USER MOD Set 3.2: A 46 GLN : amide:sc= 0 K(o=-14,f=-15) USER MOD Set 4.1: A 18 CYS SG : rot -38:sc= -4.45! USER MOD Set 4.2: A 23 MET CE :methyl -106:sc= -17.1! (180deg=-19.5!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 175:sc= -10.3! (180deg=-10.5!) USER MOD Single : A 12 LYS NZ :NH3+ -165:sc=-0.00635 (180deg=-0.178) USER MOD Single : A 17 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.41) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.72) USER MOD Single : A 26 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.6!) USER MOD Single : A 27 SER OG : rot 67:sc= 1.2 USER MOD Single : A 33 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.0011) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.94!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 60:sc= 1.16 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -16:sc= -4.87 USER MOD Single : A 57 THR OG1 : rot 100:sc= 0.233 USER MOD Single : A 58 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 59 GLN : amide:sc= -5.12 K(o=-5.1,f=-10!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 156:sc= -4.11! (180deg=-5.19!) USER MOD Single : A 65 GLN : amide:sc= -2 K(o=-2,f=-2.9!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -51:sc= 0.512 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -99:sc= -2.66 USER MOD Single : A 89 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 68 N TYR A 7 -0.575 3.149 8.143 1.00 0.00 N ATOM 69 CA TYR A 7 0.063 1.925 7.685 1.00 0.00 C ATOM 70 C TYR A 7 -0.645 0.697 8.245 1.00 0.00 C ATOM 71 O TYR A 7 -1.082 -0.178 7.498 1.00 0.00 O ATOM 72 CB TYR A 7 1.532 1.911 8.100 1.00 0.00 C ATOM 73 CG TYR A 7 2.253 3.212 7.828 1.00 0.00 C ATOM 74 CD1 TYR A 7 2.752 3.499 6.563 1.00 0.00 C ATOM 75 CD2 TYR A 7 2.435 4.153 8.834 1.00 0.00 C ATOM 76 CE1 TYR A 7 3.412 4.686 6.309 1.00 0.00 C ATOM 77 CE2 TYR A 7 3.093 5.342 8.587 1.00 0.00 C ATOM 78 CZ TYR A 7 3.580 5.604 7.324 1.00 0.00 C ATOM 79 OH TYR A 7 4.236 6.787 7.074 1.00 0.00 O ATOM 0 HA TYR A 7 -0.004 1.895 6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.598 1.685 9.164 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.042 1.106 7.571 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.622 2.782 5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.056 3.951 9.825 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.794 4.894 5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.225 6.063 9.380 1.00 0.00 H new ATOM 0 HH TYR A 7 4.268 7.323 7.894 1.00 0.00 H new ATOM 89 N GLU A 8 -0.754 0.641 9.569 1.00 0.00 N ATOM 90 CA GLU A 8 -1.408 -0.477 10.242 1.00 0.00 C ATOM 91 C GLU A 8 -2.758 -0.795 9.603 1.00 0.00 C ATOM 92 O GLU A 8 -3.219 -1.936 9.640 1.00 0.00 O ATOM 93 CB GLU A 8 -1.592 -0.166 11.729 1.00 0.00 C ATOM 94 CG GLU A 8 -0.612 -0.903 12.628 1.00 0.00 C ATOM 95 CD GLU A 8 0.284 0.037 13.411 1.00 0.00 C ATOM 96 OE1 GLU A 8 0.654 1.097 12.865 1.00 0.00 O ATOM 97 OE2 GLU A 8 0.615 -0.288 14.571 1.00 0.00 O ATOM 0 H GLU A 8 -0.397 1.359 10.199 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.768 -1.353 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.479 0.907 11.884 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.609 -0.426 12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.166 -1.533 13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.005 -1.565 12.020 1.00 0.00 H new ATOM 104 N LEU A 9 -3.387 0.218 9.014 1.00 0.00 N ATOM 105 CA LEU A 9 -4.680 0.035 8.368 1.00 0.00 C ATOM 106 C LEU A 9 -4.546 -0.859 7.142 1.00 0.00 C ATOM 107 O LEU A 9 -5.102 -1.957 7.101 1.00 0.00 O ATOM 108 CB LEU A 9 -5.279 1.386 7.970 1.00 0.00 C ATOM 109 CG LEU A 9 -5.380 2.408 9.103 1.00 0.00 C ATOM 110 CD1 LEU A 9 -6.067 3.675 8.618 1.00 0.00 C ATOM 111 CD2 LEU A 9 -6.126 1.816 10.290 1.00 0.00 C ATOM 0 H LEU A 9 -3.023 1.170 8.971 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.349 -0.448 9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.675 1.812 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.276 1.218 7.562 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.371 2.666 9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.130 4.391 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.493 4.110 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.071 3.434 8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.188 2.557 11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.131 1.529 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.593 0.937 10.653 1.00 0.00 H new ATOM 123 N PHE A 10 -3.798 -0.392 6.145 1.00 0.00 N ATOM 124 CA PHE A 10 -3.593 -1.166 4.929 1.00 0.00 C ATOM 125 C PHE A 10 -3.013 -2.533 5.265 1.00 0.00 C ATOM 126 O PHE A 10 -3.303 -3.529 4.603 1.00 0.00 O ATOM 127 CB PHE A 10 -2.674 -0.413 3.960 1.00 0.00 C ATOM 128 CG PHE A 10 -1.200 -0.597 4.211 1.00 0.00 C ATOM 129 CD1 PHE A 10 -0.572 -1.794 3.898 1.00 0.00 C ATOM 130 CD2 PHE A 10 -0.445 0.428 4.750 1.00 0.00 C ATOM 131 CE1 PHE A 10 0.781 -1.962 4.123 1.00 0.00 C ATOM 132 CE2 PHE A 10 0.909 0.267 4.978 1.00 0.00 C ATOM 133 CZ PHE A 10 1.523 -0.930 4.664 1.00 0.00 C ATOM 0 H PHE A 10 -3.328 0.513 6.157 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.558 -1.309 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.898 -0.737 2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.907 0.650 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.147 -2.604 3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.919 1.367 4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.258 -2.899 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.486 1.076 5.401 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.581 -1.059 4.841 1.00 0.00 H new ATOM 143 N MET A 11 -2.191 -2.566 6.307 1.00 0.00 N ATOM 144 CA MET A 11 -1.564 -3.803 6.752 1.00 0.00 C ATOM 145 C MET A 11 -2.597 -4.918 6.861 1.00 0.00 C ATOM 146 O MET A 11 -2.562 -5.882 6.099 1.00 0.00 O ATOM 147 CB MET A 11 -0.871 -3.590 8.101 1.00 0.00 C ATOM 148 CG MET A 11 -0.244 -4.850 8.678 1.00 0.00 C ATOM 149 SD MET A 11 1.496 -5.026 8.242 1.00 0.00 S ATOM 150 CE MET A 11 1.457 -4.571 6.511 1.00 0.00 C ATOM 0 H MET A 11 -1.943 -1.746 6.861 1.00 0.00 H new ATOM 0 HA MET A 11 -0.816 -4.096 6.015 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.097 -2.831 7.985 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.597 -3.198 8.813 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.342 -4.835 9.763 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.794 -5.721 8.320 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.474 -4.545 6.119 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.873 -5.304 5.955 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.001 -3.587 6.404 1.00 0.00 H new ATOM 160 N LYS A 12 -3.525 -4.772 7.802 1.00 0.00 N ATOM 161 CA LYS A 12 -4.575 -5.768 7.994 1.00 0.00 C ATOM 162 C LYS A 12 -5.315 -6.024 6.685 1.00 0.00 C ATOM 163 O LYS A 12 -5.884 -7.097 6.478 1.00 0.00 O ATOM 164 CB LYS A 12 -5.562 -5.304 9.067 1.00 0.00 C ATOM 165 CG LYS A 12 -4.892 -4.698 10.290 1.00 0.00 C ATOM 166 CD LYS A 12 -5.632 -5.061 11.568 1.00 0.00 C ATOM 167 CE LYS A 12 -6.984 -4.371 11.644 1.00 0.00 C ATOM 168 NZ LYS A 12 -6.847 -2.897 11.805 1.00 0.00 N ATOM 0 H LYS A 12 -3.572 -3.978 8.441 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.108 -6.697 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.239 -4.569 8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.171 -6.152 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.862 -5.048 10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.854 -3.614 10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.770 -6.141 11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.029 -4.779 12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.553 -4.586 10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.552 -4.776 12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.758 -2.494 12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.124 -2.692 12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.563 -2.474 10.899 1.00 0.00 H new ATOM 182 N SER A 13 -5.300 -5.028 5.805 1.00 0.00 N ATOM 183 CA SER A 13 -5.966 -5.131 4.515 1.00 0.00 C ATOM 184 C SER A 13 -5.213 -6.073 3.577 1.00 0.00 C ATOM 185 O SER A 13 -5.777 -7.051 3.087 1.00 0.00 O ATOM 186 CB SER A 13 -6.094 -3.744 3.879 1.00 0.00 C ATOM 187 OG SER A 13 -7.414 -3.245 4.001 1.00 0.00 O ATOM 0 H SER A 13 -4.831 -4.137 5.965 1.00 0.00 H new ATOM 0 HA SER A 13 -6.961 -5.544 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.397 -3.056 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.818 -3.797 2.826 1.00 0.00 H new ATOM 0 HG SER A 13 -8.003 -3.722 3.379 1.00 0.00 H new ATOM 193 N LEU A 14 -3.938 -5.776 3.328 1.00 0.00 N ATOM 194 CA LEU A 14 -3.122 -6.598 2.448 1.00 0.00 C ATOM 195 C LEU A 14 -3.159 -8.071 2.862 1.00 0.00 C ATOM 196 O LEU A 14 -3.569 -8.930 2.084 1.00 0.00 O ATOM 197 CB LEU A 14 -1.673 -6.108 2.458 1.00 0.00 C ATOM 198 CG LEU A 14 -0.641 -7.082 1.885 1.00 0.00 C ATOM 199 CD1 LEU A 14 -0.182 -8.060 2.950 1.00 0.00 C ATOM 200 CD2 LEU A 14 -1.192 -7.841 0.689 1.00 0.00 C ATOM 0 H LEU A 14 -3.452 -4.972 3.725 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.535 -6.510 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.619 -5.177 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.394 -5.875 3.486 1.00 0.00 H new ATOM 0 HG LEU A 14 0.212 -6.492 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.551 -8.744 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.270 -7.512 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.038 -8.627 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.431 -8.523 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.071 -8.410 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.470 -7.135 -0.093 1.00 0.00 H new ATOM 212 N ILE A 15 -2.690 -8.359 4.080 1.00 0.00 N ATOM 213 CA ILE A 15 -2.638 -9.738 4.576 1.00 0.00 C ATOM 214 C ILE A 15 -3.929 -10.483 4.283 1.00 0.00 C ATOM 215 O ILE A 15 -3.916 -11.530 3.637 1.00 0.00 O ATOM 216 CB ILE A 15 -2.330 -9.833 6.089 1.00 0.00 C ATOM 217 CG1 ILE A 15 -2.463 -8.474 6.780 1.00 0.00 C ATOM 218 CG2 ILE A 15 -0.935 -10.398 6.293 1.00 0.00 C ATOM 219 CD1 ILE A 15 -2.464 -8.561 8.291 1.00 0.00 C ATOM 0 H ILE A 15 -2.343 -7.661 4.737 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.813 -10.205 4.039 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.062 -10.501 6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.642 -7.832 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.386 -7.997 6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.721 -10.463 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.877 -11.392 5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.204 -9.745 5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.561 -7.561 8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.301 -9.176 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.530 -9.009 8.630 1.00 0.00 H new ATOM 231 N GLU A 16 -5.047 -9.934 4.737 1.00 0.00 N ATOM 232 CA GLU A 16 -6.340 -10.544 4.492 1.00 0.00 C ATOM 233 C GLU A 16 -6.467 -10.931 3.019 1.00 0.00 C ATOM 234 O GLU A 16 -7.189 -11.862 2.667 1.00 0.00 O ATOM 235 CB GLU A 16 -7.442 -9.567 4.886 1.00 0.00 C ATOM 236 CG GLU A 16 -8.593 -10.219 5.625 1.00 0.00 C ATOM 237 CD GLU A 16 -9.752 -10.569 4.711 1.00 0.00 C ATOM 238 OE1 GLU A 16 -9.590 -11.478 3.870 1.00 0.00 O ATOM 239 OE2 GLU A 16 -10.820 -9.935 4.837 1.00 0.00 O ATOM 0 H GLU A 16 -5.082 -9.069 5.276 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.436 -11.449 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.015 -8.784 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.825 -9.083 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.237 -11.124 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.944 -9.547 6.409 1.00 0.00 H new ATOM 246 N ASN A 17 -5.743 -10.205 2.170 1.00 0.00 N ATOM 247 CA ASN A 17 -5.744 -10.450 0.737 1.00 0.00 C ATOM 248 C ASN A 17 -4.773 -11.559 0.362 1.00 0.00 C ATOM 249 O ASN A 17 -5.084 -12.411 -0.465 1.00 0.00 O ATOM 250 CB ASN A 17 -5.381 -9.174 0.002 1.00 0.00 C ATOM 251 CG ASN A 17 -5.925 -9.142 -1.413 1.00 0.00 C ATOM 252 OD1 ASN A 17 -7.005 -8.608 -1.663 1.00 0.00 O ATOM 253 ND2 ASN A 17 -5.176 -9.716 -2.347 1.00 0.00 N ATOM 0 H ASN A 17 -5.142 -9.433 2.459 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.745 -10.770 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.767 -8.318 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.296 -9.072 -0.027 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.490 -9.726 -3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.287 -10.147 -2.094 1.00 0.00 H new ATOM 260 N CYS A 18 -3.596 -11.554 0.976 1.00 0.00 N ATOM 261 CA CYS A 18 -2.603 -12.580 0.693 1.00 0.00 C ATOM 262 C CYS A 18 -3.161 -13.949 1.051 1.00 0.00 C ATOM 263 O CYS A 18 -3.038 -14.898 0.280 1.00 0.00 O ATOM 264 CB CYS A 18 -1.292 -12.299 1.447 1.00 0.00 C ATOM 265 SG CYS A 18 -1.325 -12.658 3.220 1.00 0.00 S ATOM 0 H CYS A 18 -3.309 -10.859 1.665 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.375 -12.566 -0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.496 -12.887 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.032 -11.249 1.311 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.479 -12.315 3.711 1.00 0.00 H new ATOM 271 N LYS A 19 -3.786 -14.040 2.219 1.00 0.00 N ATOM 272 CA LYS A 19 -4.369 -15.293 2.678 1.00 0.00 C ATOM 273 C LYS A 19 -5.666 -15.603 1.942 1.00 0.00 C ATOM 274 O LYS A 19 -6.087 -16.759 1.881 1.00 0.00 O ATOM 275 CB LYS A 19 -4.621 -15.240 4.187 1.00 0.00 C ATOM 276 CG LYS A 19 -3.638 -16.069 4.997 1.00 0.00 C ATOM 277 CD LYS A 19 -3.365 -15.442 6.355 1.00 0.00 C ATOM 278 CE LYS A 19 -2.353 -14.312 6.253 1.00 0.00 C ATOM 279 NZ LYS A 19 -0.953 -14.819 6.242 1.00 0.00 N ATOM 0 H LYS A 19 -3.902 -13.260 2.865 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.659 -16.091 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.569 -14.203 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.633 -15.590 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.035 -17.075 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.703 -16.167 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.296 -15.061 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.994 -16.204 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.539 -13.739 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.485 -13.629 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.294 -14.017 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.767 -15.344 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.819 -15.450 5.426 1.00 0.00 H new ATOM 293 N LYS A 20 -6.306 -14.578 1.385 1.00 0.00 N ATOM 294 CA LYS A 20 -7.556 -14.787 0.667 1.00 0.00 C ATOM 295 C LYS A 20 -7.317 -14.974 -0.824 1.00 0.00 C ATOM 296 O LYS A 20 -8.111 -15.615 -1.513 1.00 0.00 O ATOM 297 CB LYS A 20 -8.540 -13.634 0.919 1.00 0.00 C ATOM 298 CG LYS A 20 -8.229 -12.360 0.137 1.00 0.00 C ATOM 299 CD LYS A 20 -9.199 -12.165 -1.017 1.00 0.00 C ATOM 300 CE LYS A 20 -10.433 -11.390 -0.583 1.00 0.00 C ATOM 301 NZ LYS A 20 -10.209 -9.918 -0.628 1.00 0.00 N ATOM 0 H LYS A 20 -5.985 -13.610 1.416 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.002 -15.704 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.546 -13.967 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.543 -13.401 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.279 -11.500 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.210 -12.407 -0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.700 -11.633 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.498 -13.137 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.271 -11.650 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.709 -11.684 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.074 -9.426 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.426 -9.666 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.971 -9.633 -1.599 1.00 0.00 H new ATOM 315 N ARG A 21 -6.211 -14.439 -1.313 1.00 0.00 N ATOM 316 CA ARG A 21 -5.862 -14.578 -2.717 1.00 0.00 C ATOM 317 C ARG A 21 -5.061 -15.861 -2.930 1.00 0.00 C ATOM 318 O ARG A 21 -4.483 -16.077 -3.994 1.00 0.00 O ATOM 319 CB ARG A 21 -5.058 -13.367 -3.187 1.00 0.00 C ATOM 320 CG ARG A 21 -5.147 -13.125 -4.684 1.00 0.00 C ATOM 321 CD ARG A 21 -3.919 -13.654 -5.404 1.00 0.00 C ATOM 322 NE ARG A 21 -4.260 -14.301 -6.669 1.00 0.00 N ATOM 323 CZ ARG A 21 -3.395 -14.493 -7.662 1.00 0.00 C ATOM 324 NH1 ARG A 21 -2.135 -14.093 -7.542 1.00 0.00 N ATOM 325 NH2 ARG A 21 -3.790 -15.089 -8.779 1.00 0.00 N ATOM 0 H ARG A 21 -5.540 -13.905 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.779 -14.633 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.412 -12.480 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.013 -13.505 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.040 -13.609 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.252 -12.057 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.228 -12.833 -5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.401 -14.366 -4.761 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.218 -14.625 -6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.825 -13.635 -6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.477 -14.243 -8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.756 -15.400 -8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.127 -15.236 -9.540 1.00 0.00 H new ATOM 339 N ASN A 22 -5.035 -16.708 -1.898 1.00 0.00 N ATOM 340 CA ASN A 22 -4.319 -17.970 -1.938 1.00 0.00 C ATOM 341 C ASN A 22 -2.822 -17.745 -1.910 1.00 0.00 C ATOM 342 O ASN A 22 -2.083 -18.199 -2.783 1.00 0.00 O ATOM 343 CB ASN A 22 -4.730 -18.782 -3.157 1.00 0.00 C ATOM 344 CG ASN A 22 -3.964 -20.085 -3.286 1.00 0.00 C ATOM 345 OD1 ASN A 22 -4.186 -21.027 -2.525 1.00 0.00 O ATOM 346 ND2 ASN A 22 -3.056 -20.144 -4.252 1.00 0.00 N ATOM 0 H ASN A 22 -5.512 -16.531 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.584 -18.541 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.797 -18.998 -3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.573 -18.184 -4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.509 -20.994 -4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.905 -19.339 -4.860 1.00 0.00 H new ATOM 353 N MET A 23 -2.390 -17.053 -0.871 1.00 0.00 N ATOM 354 CA MET A 23 -0.978 -16.763 -0.667 1.00 0.00 C ATOM 355 C MET A 23 -0.263 -16.346 -1.951 1.00 0.00 C ATOM 356 O MET A 23 0.595 -17.070 -2.457 1.00 0.00 O ATOM 357 CB MET A 23 -0.286 -17.984 -0.082 1.00 0.00 C ATOM 358 CG MET A 23 -0.531 -18.199 1.403 1.00 0.00 C ATOM 359 SD MET A 23 0.104 -16.852 2.413 1.00 0.00 S ATOM 360 CE MET A 23 -1.168 -15.632 2.130 1.00 0.00 C ATOM 0 H MET A 23 -3.003 -16.677 -0.147 1.00 0.00 H new ATOM 0 HA MET A 23 -0.924 -15.920 0.022 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.620 -18.869 -0.624 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.787 -17.893 -0.250 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.601 -18.306 1.579 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.062 -19.133 1.713 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.787 -14.857 1.465 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.035 -16.109 1.672 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.460 -15.184 3.080 1.00 0.00 H new ATOM 370 N PRO A 24 -0.576 -15.154 -2.474 1.00 0.00 N ATOM 371 CA PRO A 24 0.071 -14.626 -3.678 1.00 0.00 C ATOM 372 C PRO A 24 1.473 -14.105 -3.380 1.00 0.00 C ATOM 373 O PRO A 24 1.982 -13.221 -4.070 1.00 0.00 O ATOM 374 CB PRO A 24 -0.841 -13.471 -4.076 1.00 0.00 C ATOM 375 CG PRO A 24 -1.402 -12.989 -2.782 1.00 0.00 C ATOM 376 CD PRO A 24 -1.564 -14.215 -1.921 1.00 0.00 C ATOM 0 HA PRO A 24 0.194 -15.383 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.287 -12.684 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.628 -13.800 -4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.735 -12.267 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.358 -12.488 -2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.368 -13.997 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.576 -14.616 -1.979 1.00 0.00 H new ATOM 384 N LEU A 25 2.080 -14.650 -2.333 1.00 0.00 N ATOM 385 CA LEU A 25 3.410 -14.248 -1.906 1.00 0.00 C ATOM 386 C LEU A 25 3.820 -15.074 -0.686 1.00 0.00 C ATOM 387 O LEU A 25 3.073 -15.168 0.288 1.00 0.00 O ATOM 388 CB LEU A 25 3.409 -12.737 -1.609 1.00 0.00 C ATOM 389 CG LEU A 25 4.270 -12.258 -0.433 1.00 0.00 C ATOM 390 CD1 LEU A 25 5.395 -11.362 -0.928 1.00 0.00 C ATOM 391 CD2 LEU A 25 3.409 -11.521 0.585 1.00 0.00 C ATOM 0 H LEU A 25 1.663 -15.382 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 25 4.141 -14.434 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.741 -12.215 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.380 -12.429 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 25 4.712 -13.128 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.996 -11.031 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.023 -11.918 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.973 -10.494 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.032 -11.186 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.943 -10.658 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.635 -12.191 0.960 1.00 0.00 H new ATOM 403 N GLN A 26 5.002 -15.681 -0.747 1.00 0.00 N ATOM 404 CA GLN A 26 5.493 -16.506 0.350 1.00 0.00 C ATOM 405 C GLN A 26 5.680 -15.664 1.600 1.00 0.00 C ATOM 406 O GLN A 26 5.447 -16.121 2.719 1.00 0.00 O ATOM 407 CB GLN A 26 6.813 -17.178 -0.038 1.00 0.00 C ATOM 408 CG GLN A 26 6.723 -18.694 -0.120 1.00 0.00 C ATOM 409 CD GLN A 26 7.928 -19.383 0.489 1.00 0.00 C ATOM 410 OE1 GLN A 26 8.892 -18.733 0.893 1.00 0.00 O ATOM 411 NE2 GLN A 26 7.879 -20.709 0.558 1.00 0.00 N ATOM 0 H GLN A 26 5.636 -15.617 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 26 4.755 -17.281 0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.139 -16.789 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.577 -16.907 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.821 -19.029 0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.627 -18.993 -1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.060 -21.208 0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.661 -21.228 0.958 1.00 0.00 H new ATOM 420 N SER A 27 6.101 -14.427 1.392 1.00 0.00 N ATOM 421 CA SER A 27 6.323 -13.497 2.491 1.00 0.00 C ATOM 422 C SER A 27 6.767 -12.142 1.959 1.00 0.00 C ATOM 423 O SER A 27 7.759 -12.049 1.236 1.00 0.00 O ATOM 424 CB SER A 27 7.373 -14.050 3.455 1.00 0.00 C ATOM 425 OG SER A 27 6.765 -14.767 4.516 1.00 0.00 O ATOM 0 H SER A 27 6.297 -14.041 0.468 1.00 0.00 H new ATOM 0 HA SER A 27 5.384 -13.372 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.058 -14.704 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.967 -13.231 3.859 1.00 0.00 H new ATOM 0 HG SER A 27 6.348 -15.581 4.164 1.00 0.00 H new ATOM 431 N ILE A 28 6.024 -11.093 2.315 1.00 0.00 N ATOM 432 CA ILE A 28 6.335 -9.738 1.872 1.00 0.00 C ATOM 433 C ILE A 28 7.845 -9.493 1.840 1.00 0.00 C ATOM 434 O ILE A 28 8.545 -9.774 2.812 1.00 0.00 O ATOM 435 CB ILE A 28 5.666 -8.698 2.787 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.169 -8.990 2.902 1.00 0.00 C ATOM 437 CG2 ILE A 28 5.895 -7.292 2.256 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.788 -9.714 4.172 1.00 0.00 C ATOM 0 H ILE A 28 5.199 -11.159 2.912 1.00 0.00 H new ATOM 0 HA ILE A 28 5.944 -9.631 0.860 1.00 0.00 H new ATOM 0 HB ILE A 28 6.115 -8.764 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.619 -8.050 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.858 -9.588 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.414 -6.571 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.965 -7.089 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.470 -7.207 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.712 -9.887 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.309 -10.670 4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.068 -9.108 5.034 1.00 0.00 H new ATOM 450 N PRO A 29 8.373 -8.983 0.711 1.00 0.00 N ATOM 451 CA PRO A 29 9.806 -8.725 0.552 1.00 0.00 C ATOM 452 C PRO A 29 10.274 -7.453 1.247 1.00 0.00 C ATOM 453 O PRO A 29 11.305 -6.891 0.879 1.00 0.00 O ATOM 454 CB PRO A 29 9.989 -8.584 -0.970 1.00 0.00 C ATOM 455 CG PRO A 29 8.656 -8.877 -1.581 1.00 0.00 C ATOM 456 CD PRO A 29 7.636 -8.638 -0.509 1.00 0.00 C ATOM 0 HA PRO A 29 10.394 -9.524 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.324 -7.580 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.746 -9.277 -1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.473 -8.233 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.610 -9.906 -1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.294 -7.603 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.754 -9.264 -0.641 1.00 0.00 H new ATOM 464 N GLU A 30 9.515 -7.007 2.248 1.00 0.00 N ATOM 465 CA GLU A 30 9.843 -5.794 3.005 1.00 0.00 C ATOM 466 C GLU A 30 10.785 -4.888 2.221 1.00 0.00 C ATOM 467 O GLU A 30 11.965 -4.759 2.549 1.00 0.00 O ATOM 468 CB GLU A 30 10.464 -6.157 4.355 1.00 0.00 C ATOM 469 CG GLU A 30 9.526 -6.930 5.269 1.00 0.00 C ATOM 470 CD GLU A 30 10.129 -8.233 5.757 1.00 0.00 C ATOM 471 OE1 GLU A 30 10.188 -9.195 4.963 1.00 0.00 O ATOM 472 OE2 GLU A 30 10.542 -8.291 6.935 1.00 0.00 O ATOM 0 H GLU A 30 8.661 -7.471 2.557 1.00 0.00 H new ATOM 0 HA GLU A 30 8.915 -5.249 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.362 -6.750 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.777 -5.243 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.268 -6.310 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.598 -7.140 4.737 1.00 0.00 H new ATOM 479 N ILE A 31 10.249 -4.279 1.176 1.00 0.00 N ATOM 480 CA ILE A 31 11.027 -3.395 0.320 1.00 0.00 C ATOM 481 C ILE A 31 10.845 -1.943 0.746 1.00 0.00 C ATOM 482 O ILE A 31 9.902 -1.272 0.329 1.00 0.00 O ATOM 483 CB ILE A 31 10.644 -3.555 -1.176 1.00 0.00 C ATOM 484 CG1 ILE A 31 9.609 -4.672 -1.365 1.00 0.00 C ATOM 485 CG2 ILE A 31 11.886 -3.840 -2.015 1.00 0.00 C ATOM 486 CD1 ILE A 31 8.177 -4.201 -1.225 1.00 0.00 C ATOM 0 H ILE A 31 9.273 -4.381 0.898 1.00 0.00 H new ATOM 0 HA ILE A 31 12.074 -3.677 0.432 1.00 0.00 H new ATOM 0 HB ILE A 31 10.198 -2.618 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.742 -5.116 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.797 -5.458 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.601 -3.950 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 31 12.590 -3.014 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.356 -4.761 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.501 -5.043 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.027 -3.784 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.971 -3.436 -1.974 1.00 0.00 H new ATOM 498 N GLY A 32 11.756 -1.472 1.590 1.00 0.00 N ATOM 499 CA GLY A 32 11.688 -0.107 2.079 1.00 0.00 C ATOM 500 C GLY A 32 12.527 0.104 3.322 1.00 0.00 C ATOM 501 O GLY A 32 13.570 0.756 3.273 1.00 0.00 O ATOM 0 H GLY A 32 12.544 -2.014 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.025 0.573 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.651 0.147 2.297 1.00 0.00 H new ATOM 505 N ASN A 33 12.071 -0.450 4.437 1.00 0.00 N ATOM 506 CA ASN A 33 12.786 -0.323 5.702 1.00 0.00 C ATOM 507 C ASN A 33 12.120 -1.151 6.799 1.00 0.00 C ATOM 508 O ASN A 33 12.579 -2.245 7.129 1.00 0.00 O ATOM 509 CB ASN A 33 12.859 1.148 6.123 1.00 0.00 C ATOM 510 CG ASN A 33 14.281 1.675 6.139 1.00 0.00 C ATOM 511 OD1 ASN A 33 14.604 2.645 5.454 1.00 0.00 O ATOM 512 ND2 ASN A 33 15.140 1.035 6.925 1.00 0.00 N ATOM 0 H ASN A 33 11.209 -0.992 4.493 1.00 0.00 H new ATOM 0 HA ASN A 33 13.797 -0.704 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.259 1.749 5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.421 1.261 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 33 16.111 1.344 6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.829 0.235 7.476 1.00 0.00 H new ATOM 519 N ARG A 34 11.042 -0.619 7.361 1.00 0.00 N ATOM 520 CA ARG A 34 10.315 -1.304 8.425 1.00 0.00 C ATOM 521 C ARG A 34 9.517 -2.482 7.877 1.00 0.00 C ATOM 522 O ARG A 34 9.625 -2.826 6.700 1.00 0.00 O ATOM 523 CB ARG A 34 9.378 -0.327 9.139 1.00 0.00 C ATOM 524 CG ARG A 34 8.261 0.204 8.253 1.00 0.00 C ATOM 525 CD ARG A 34 6.888 -0.212 8.762 1.00 0.00 C ATOM 526 NE ARG A 34 6.018 0.940 8.990 1.00 0.00 N ATOM 527 CZ ARG A 34 4.926 0.905 9.749 1.00 0.00 C ATOM 528 NH1 ARG A 34 4.565 -0.220 10.354 1.00 0.00 N ATOM 529 NH2 ARG A 34 4.193 1.999 9.905 1.00 0.00 N ATOM 0 H ARG A 34 10.651 0.286 7.098 1.00 0.00 H new ATOM 0 HA ARG A 34 11.045 -1.688 9.137 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.939 -0.824 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.961 0.513 9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.318 1.292 8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.398 -0.164 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.421 -0.882 8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.000 -0.772 9.691 1.00 0.00 H new ATOM 0 HE ARG A 34 6.262 1.823 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.126 -1.064 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.727 -0.240 10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.467 2.866 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.356 1.973 10.487 1.00 0.00 H new ATOM 543 N LYS A 35 8.715 -3.099 8.741 1.00 0.00 N ATOM 544 CA LYS A 35 7.898 -4.240 8.346 1.00 0.00 C ATOM 545 C LYS A 35 6.876 -3.840 7.287 1.00 0.00 C ATOM 546 O LYS A 35 5.933 -3.101 7.567 1.00 0.00 O ATOM 547 CB LYS A 35 7.183 -4.831 9.563 1.00 0.00 C ATOM 548 CG LYS A 35 6.991 -6.337 9.483 1.00 0.00 C ATOM 549 CD LYS A 35 5.977 -6.826 10.505 1.00 0.00 C ATOM 550 CE LYS A 35 5.084 -7.915 9.930 1.00 0.00 C ATOM 551 NZ LYS A 35 4.946 -9.069 10.860 1.00 0.00 N ATOM 0 H LYS A 35 8.614 -2.827 9.719 1.00 0.00 H new ATOM 0 HA LYS A 35 8.559 -4.995 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.754 -4.593 10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.209 -4.354 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.659 -6.610 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.946 -6.836 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.499 -7.208 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.363 -5.989 10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.099 -7.501 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.497 -8.260 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.330 -9.789 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.883 -9.480 11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.528 -8.745 11.756 1.00 0.00 H new ATOM 565 N ILE A 36 7.069 -4.345 6.073 1.00 0.00 N ATOM 566 CA ILE A 36 6.172 -4.058 4.965 1.00 0.00 C ATOM 567 C ILE A 36 6.040 -2.557 4.712 1.00 0.00 C ATOM 568 O ILE A 36 6.272 -1.735 5.598 1.00 0.00 O ATOM 569 CB ILE A 36 4.777 -4.655 5.217 1.00 0.00 C ATOM 570 CG1 ILE A 36 4.872 -6.169 5.395 1.00 0.00 C ATOM 571 CG2 ILE A 36 3.835 -4.316 4.073 1.00 0.00 C ATOM 572 CD1 ILE A 36 3.701 -6.761 6.144 1.00 0.00 C ATOM 0 H ILE A 36 7.846 -4.960 5.833 1.00 0.00 H new ATOM 0 HA ILE A 36 6.610 -4.520 4.080 1.00 0.00 H new ATOM 0 HB ILE A 36 4.377 -4.220 6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.941 -6.639 4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.792 -6.407 5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.853 -4.747 4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.745 -3.233 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.231 -4.724 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.834 -7.839 6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.644 -6.318 7.138 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.779 -6.553 5.601 1.00 0.00 H new ATOM 584 N ASN A 37 5.659 -2.220 3.487 1.00 0.00 N ATOM 585 CA ASN A 37 5.478 -0.832 3.077 1.00 0.00 C ATOM 586 C ASN A 37 5.022 -0.777 1.624 1.00 0.00 C ATOM 587 O ASN A 37 5.395 0.127 0.874 1.00 0.00 O ATOM 588 CB ASN A 37 6.781 -0.047 3.251 1.00 0.00 C ATOM 589 CG ASN A 37 6.551 1.335 3.830 1.00 0.00 C ATOM 590 OD1 ASN A 37 5.682 1.528 4.680 1.00 0.00 O ATOM 591 ND2 ASN A 37 7.330 2.307 3.370 1.00 0.00 N ATOM 0 H ASN A 37 5.467 -2.899 2.750 1.00 0.00 H new ATOM 0 HA ASN A 37 4.715 -0.377 3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.453 -0.604 3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.278 0.045 2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.220 3.258 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.038 2.103 2.665 1.00 0.00 H new ATOM 598 N LEU A 38 4.218 -1.766 1.236 1.00 0.00 N ATOM 599 CA LEU A 38 3.708 -1.863 -0.128 1.00 0.00 C ATOM 600 C LEU A 38 2.659 -0.794 -0.417 1.00 0.00 C ATOM 601 O LEU A 38 2.238 -0.631 -1.561 1.00 0.00 O ATOM 602 CB LEU A 38 3.109 -3.251 -0.394 1.00 0.00 C ATOM 603 CG LEU A 38 3.577 -4.370 0.539 1.00 0.00 C ATOM 604 CD1 LEU A 38 2.943 -5.691 0.144 1.00 0.00 C ATOM 605 CD2 LEU A 38 5.099 -4.482 0.532 1.00 0.00 C ATOM 0 H LEU A 38 3.905 -2.515 1.853 1.00 0.00 H new ATOM 0 HA LEU A 38 4.556 -1.704 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.024 -3.177 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.344 -3.537 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 38 3.260 -4.124 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.287 -6.476 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.858 -5.607 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.228 -5.940 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.408 -5.284 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.443 -4.701 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.535 -3.541 0.867 1.00 0.00 H new ATOM 617 N PHE A 39 2.230 -0.071 0.613 1.00 0.00 N ATOM 618 CA PHE A 39 1.223 0.964 0.430 1.00 0.00 C ATOM 619 C PHE A 39 1.862 2.325 0.145 1.00 0.00 C ATOM 620 O PHE A 39 1.325 3.113 -0.630 1.00 0.00 O ATOM 621 CB PHE A 39 0.297 1.038 1.647 1.00 0.00 C ATOM 622 CG PHE A 39 -1.119 0.616 1.349 1.00 0.00 C ATOM 623 CD1 PHE A 39 -1.392 -0.632 0.796 1.00 0.00 C ATOM 624 CD2 PHE A 39 -2.179 1.466 1.622 1.00 0.00 C ATOM 625 CE1 PHE A 39 -2.696 -1.017 0.525 1.00 0.00 C ATOM 626 CE2 PHE A 39 -3.480 1.085 1.352 1.00 0.00 C ATOM 627 CZ PHE A 39 -3.738 -0.155 0.804 1.00 0.00 C ATOM 0 H PHE A 39 2.560 -0.182 1.572 1.00 0.00 H new ATOM 0 HA PHE A 39 0.625 0.695 -0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.698 0.405 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.291 2.059 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.579 -1.308 0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.986 2.438 2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.896 -1.988 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.296 1.759 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.755 -0.451 0.593 1.00 0.00 H new ATOM 637 N TYR A 40 3.014 2.596 0.758 1.00 0.00 N ATOM 638 CA TYR A 40 3.711 3.866 0.540 1.00 0.00 C ATOM 639 C TYR A 40 4.047 4.037 -0.941 1.00 0.00 C ATOM 640 O TYR A 40 3.399 4.812 -1.661 1.00 0.00 O ATOM 641 CB TYR A 40 4.987 3.928 1.384 1.00 0.00 C ATOM 642 CG TYR A 40 5.467 5.337 1.652 1.00 0.00 C ATOM 643 CD1 TYR A 40 5.798 6.189 0.606 1.00 0.00 C ATOM 644 CD2 TYR A 40 5.590 5.814 2.951 1.00 0.00 C ATOM 645 CE1 TYR A 40 6.237 7.477 0.846 1.00 0.00 C ATOM 646 CE2 TYR A 40 6.028 7.101 3.200 1.00 0.00 C ATOM 647 CZ TYR A 40 6.351 7.928 2.144 1.00 0.00 C ATOM 648 OH TYR A 40 6.788 9.210 2.387 1.00 0.00 O ATOM 0 H TYR A 40 3.482 1.960 1.404 1.00 0.00 H new ATOM 0 HA TYR A 40 3.053 4.680 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.808 3.427 2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.776 3.375 0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.711 5.839 -0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.339 5.169 3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.489 8.127 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.117 7.457 4.216 1.00 0.00 H new ATOM 0 HH TYR A 40 6.811 9.370 3.354 1.00 0.00 H new ATOM 658 N LEU A 41 5.041 3.284 -1.412 1.00 0.00 N ATOM 659 CA LEU A 41 5.420 3.336 -2.821 1.00 0.00 C ATOM 660 C LEU A 41 4.168 3.223 -3.670 1.00 0.00 C ATOM 661 O LEU A 41 4.079 3.774 -4.766 1.00 0.00 O ATOM 662 CB LEU A 41 6.365 2.195 -3.172 1.00 0.00 C ATOM 663 CG LEU A 41 5.704 0.817 -3.204 1.00 0.00 C ATOM 664 CD1 LEU A 41 6.634 -0.199 -3.842 1.00 0.00 C ATOM 665 CD2 LEU A 41 5.340 0.388 -1.794 1.00 0.00 C ATOM 0 H LEU A 41 5.592 2.639 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 41 5.930 4.280 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.810 2.394 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.179 2.178 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 41 4.794 0.874 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.150 -1.176 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.864 0.109 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.557 -0.261 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.869 -0.595 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.242 0.341 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.647 1.110 -1.362 1.00 0.00 H new ATOM 677 N TYR A 42 3.190 2.507 -3.135 1.00 0.00 N ATOM 678 CA TYR A 42 1.937 2.338 -3.818 1.00 0.00 C ATOM 679 C TYR A 42 1.260 3.702 -3.941 1.00 0.00 C ATOM 680 O TYR A 42 0.844 4.103 -5.020 1.00 0.00 O ATOM 681 CB TYR A 42 1.060 1.317 -3.076 1.00 0.00 C ATOM 682 CG TYR A 42 -0.437 1.578 -3.168 1.00 0.00 C ATOM 683 CD1 TYR A 42 -0.971 2.163 -4.299 1.00 0.00 C ATOM 684 CD2 TYR A 42 -1.307 1.255 -2.132 1.00 0.00 C ATOM 685 CE1 TYR A 42 -2.307 2.430 -4.416 1.00 0.00 C ATOM 686 CE2 TYR A 42 -2.663 1.513 -2.238 1.00 0.00 C ATOM 687 CZ TYR A 42 -3.158 2.104 -3.383 1.00 0.00 C ATOM 688 OH TYR A 42 -4.503 2.370 -3.493 1.00 0.00 O ATOM 0 H TYR A 42 3.249 2.038 -2.231 1.00 0.00 H new ATOM 0 HA TYR A 42 2.099 1.943 -4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.267 0.324 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.349 1.306 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.313 2.418 -5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.920 0.797 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.692 2.893 -5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.330 1.253 -1.429 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.868 1.893 -4.267 1.00 0.00 H new ATOM 698 N MET A 43 1.178 4.437 -2.840 1.00 0.00 N ATOM 699 CA MET A 43 0.576 5.763 -2.872 1.00 0.00 C ATOM 700 C MET A 43 1.061 6.530 -4.095 1.00 0.00 C ATOM 701 O MET A 43 0.348 7.375 -4.636 1.00 0.00 O ATOM 702 CB MET A 43 0.900 6.528 -1.589 1.00 0.00 C ATOM 703 CG MET A 43 0.159 6.019 -0.359 1.00 0.00 C ATOM 704 SD MET A 43 -1.603 5.748 -0.652 1.00 0.00 S ATOM 705 CE MET A 43 -1.563 4.189 -1.538 1.00 0.00 C ATOM 0 H MET A 43 1.516 4.142 -1.924 1.00 0.00 H new ATOM 0 HA MET A 43 -0.507 5.655 -2.939 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.973 6.469 -1.404 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.659 7.581 -1.736 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.614 5.085 -0.029 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.280 6.736 0.453 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.415 3.579 -1.239 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.610 4.379 -2.610 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.639 3.661 -1.303 1.00 0.00 H new ATOM 715 N LEU A 44 2.275 6.214 -4.536 1.00 0.00 N ATOM 716 CA LEU A 44 2.843 6.865 -5.710 1.00 0.00 C ATOM 717 C LEU A 44 2.315 6.256 -7.009 1.00 0.00 C ATOM 718 O LEU A 44 2.099 6.972 -7.984 1.00 0.00 O ATOM 719 CB LEU A 44 4.365 6.785 -5.712 1.00 0.00 C ATOM 720 CG LEU A 44 5.029 6.460 -4.376 1.00 0.00 C ATOM 721 CD1 LEU A 44 6.529 6.668 -4.474 1.00 0.00 C ATOM 722 CD2 LEU A 44 4.441 7.304 -3.252 1.00 0.00 C ATOM 0 H LEU A 44 2.880 5.517 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 44 2.536 7.910 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.666 6.028 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.757 7.739 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 44 4.835 5.413 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.992 6.433 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.937 6.014 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.736 7.706 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.932 7.052 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.597 8.360 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.373 7.104 -3.168 1.00 0.00 H new ATOM 734 N VAL A 45 2.103 4.936 -7.031 1.00 0.00 N ATOM 735 CA VAL A 45 1.596 4.286 -8.243 1.00 0.00 C ATOM 736 C VAL A 45 0.280 4.926 -8.647 1.00 0.00 C ATOM 737 O VAL A 45 -0.108 4.896 -9.813 1.00 0.00 O ATOM 738 CB VAL A 45 1.397 2.760 -8.082 1.00 0.00 C ATOM 739 CG1 VAL A 45 0.617 2.452 -6.845 1.00 0.00 C ATOM 740 CG2 VAL A 45 0.690 2.173 -9.285 1.00 0.00 C ATOM 0 H VAL A 45 2.270 4.310 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 45 2.351 4.427 -9.016 1.00 0.00 H new ATOM 0 HB VAL A 45 2.386 2.309 -8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.490 1.373 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.153 2.829 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.362 2.929 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.564 1.099 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.288 2.642 -9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.284 2.354 -10.181 1.00 0.00 H new ATOM 750 N GLN A 46 -0.389 5.531 -7.669 1.00 0.00 N ATOM 751 CA GLN A 46 -1.650 6.216 -7.919 1.00 0.00 C ATOM 752 C GLN A 46 -1.495 7.140 -9.121 1.00 0.00 C ATOM 753 O GLN A 46 -2.447 7.383 -9.862 1.00 0.00 O ATOM 754 CB GLN A 46 -2.079 7.019 -6.689 1.00 0.00 C ATOM 755 CG GLN A 46 -2.453 6.154 -5.497 1.00 0.00 C ATOM 756 CD GLN A 46 -3.234 6.917 -4.445 1.00 0.00 C ATOM 757 OE1 GLN A 46 -3.359 8.140 -4.513 1.00 0.00 O ATOM 758 NE2 GLN A 46 -3.765 6.196 -3.464 1.00 0.00 N ATOM 0 H GLN A 46 -0.078 5.560 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.421 5.475 -8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.268 7.688 -6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.931 7.646 -6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.045 5.306 -5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.546 5.749 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.636 5.184 -3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.302 6.654 -2.727 1.00 0.00 H new ATOM 767 N LYS A 47 -0.269 7.630 -9.318 1.00 0.00 N ATOM 768 CA LYS A 47 0.039 8.502 -10.441 1.00 0.00 C ATOM 769 C LYS A 47 -0.424 7.838 -11.733 1.00 0.00 C ATOM 770 O LYS A 47 -0.871 8.506 -12.666 1.00 0.00 O ATOM 771 CB LYS A 47 1.550 8.819 -10.459 1.00 0.00 C ATOM 772 CG LYS A 47 2.232 8.738 -11.822 1.00 0.00 C ATOM 773 CD LYS A 47 1.573 9.655 -12.843 1.00 0.00 C ATOM 774 CE LYS A 47 2.457 10.846 -13.181 1.00 0.00 C ATOM 775 NZ LYS A 47 2.022 12.080 -12.470 1.00 0.00 N ATOM 0 H LYS A 47 0.525 7.434 -8.709 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.490 9.450 -10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.696 9.823 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.054 8.131 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.283 9.007 -11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.200 7.710 -12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.357 9.093 -13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.619 10.009 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.489 10.619 -12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.436 11.020 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.650 12.868 -12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.046 12.312 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.067 11.923 -11.443 1.00 0.00 H new ATOM 789 N PHE A 48 -0.348 6.512 -11.764 1.00 0.00 N ATOM 790 CA PHE A 48 -0.789 5.761 -12.920 1.00 0.00 C ATOM 791 C PHE A 48 -2.121 5.087 -12.634 1.00 0.00 C ATOM 792 O PHE A 48 -3.026 5.094 -13.469 1.00 0.00 O ATOM 793 CB PHE A 48 0.258 4.733 -13.345 1.00 0.00 C ATOM 794 CG PHE A 48 0.550 4.777 -14.822 1.00 0.00 C ATOM 795 CD1 PHE A 48 -0.417 5.193 -15.728 1.00 0.00 C ATOM 796 CD2 PHE A 48 1.795 4.420 -15.303 1.00 0.00 C ATOM 797 CE1 PHE A 48 -0.144 5.249 -17.081 1.00 0.00 C ATOM 798 CE2 PHE A 48 2.076 4.476 -16.655 1.00 0.00 C ATOM 799 CZ PHE A 48 1.106 4.891 -17.545 1.00 0.00 C ATOM 0 H PHE A 48 0.015 5.941 -11.000 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.922 6.458 -13.747 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.180 4.909 -12.791 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.089 3.735 -13.077 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.396 5.477 -15.370 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.559 4.093 -14.613 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.907 5.572 -17.774 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.055 4.195 -17.015 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.324 4.936 -18.602 1.00 0.00 H new ATOM 809 N GLY A 49 -2.234 4.499 -11.448 1.00 0.00 N ATOM 810 CA GLY A 49 -3.454 3.822 -11.071 1.00 0.00 C ATOM 811 C GLY A 49 -3.437 2.382 -11.509 1.00 0.00 C ATOM 812 O GLY A 49 -3.938 1.500 -10.812 1.00 0.00 O ATOM 0 H GLY A 49 -1.499 4.481 -10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.582 3.874 -9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.308 4.331 -11.518 1.00 0.00 H new ATOM 816 N GLY A 50 -2.833 2.144 -12.664 1.00 0.00 N ATOM 817 CA GLY A 50 -2.731 0.803 -13.175 1.00 0.00 C ATOM 818 C GLY A 50 -1.361 0.227 -12.921 1.00 0.00 C ATOM 819 O GLY A 50 -0.423 0.477 -13.679 1.00 0.00 O ATOM 0 H GLY A 50 -2.412 2.862 -13.254 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.486 0.173 -12.705 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.936 0.802 -14.245 1.00 0.00 H new ATOM 823 N ALA A 51 -1.240 -0.525 -11.836 1.00 0.00 N ATOM 824 CA ALA A 51 0.028 -1.127 -11.451 1.00 0.00 C ATOM 825 C ALA A 51 0.780 -1.702 -12.646 1.00 0.00 C ATOM 826 O ALA A 51 1.901 -1.293 -12.939 1.00 0.00 O ATOM 827 CB ALA A 51 -0.200 -2.192 -10.407 1.00 0.00 C ATOM 0 H ALA A 51 -2.012 -0.734 -11.202 1.00 0.00 H new ATOM 0 HA ALA A 51 0.652 -0.338 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.755 -2.636 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.666 -1.746 -9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.854 -2.964 -10.812 1.00 0.00 H new ATOM 833 N ASP A 52 0.153 -2.651 -13.331 1.00 0.00 N ATOM 834 CA ASP A 52 0.761 -3.286 -14.496 1.00 0.00 C ATOM 835 C ASP A 52 1.106 -2.266 -15.577 1.00 0.00 C ATOM 836 O ASP A 52 1.878 -2.560 -16.489 1.00 0.00 O ATOM 837 CB ASP A 52 -0.179 -4.350 -15.065 1.00 0.00 C ATOM 838 CG ASP A 52 0.557 -5.606 -15.490 1.00 0.00 C ATOM 839 OD1 ASP A 52 1.029 -6.346 -14.602 1.00 0.00 O ATOM 840 OD2 ASP A 52 0.661 -5.848 -16.711 1.00 0.00 O ATOM 0 H ASP A 52 -0.778 -2.999 -13.100 1.00 0.00 H new ATOM 0 HA ASP A 52 1.689 -3.756 -14.171 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.928 -4.607 -14.316 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.713 -3.938 -15.921 1.00 0.00 H new ATOM 845 N GLN A 53 0.556 -1.061 -15.464 1.00 0.00 N ATOM 846 CA GLN A 53 0.836 -0.010 -16.418 1.00 0.00 C ATOM 847 C GLN A 53 1.997 0.814 -15.913 1.00 0.00 C ATOM 848 O GLN A 53 2.777 1.375 -16.682 1.00 0.00 O ATOM 849 CB GLN A 53 -0.398 0.870 -16.618 1.00 0.00 C ATOM 850 CG GLN A 53 -0.275 1.836 -17.780 1.00 0.00 C ATOM 851 CD GLN A 53 -1.544 1.922 -18.605 1.00 0.00 C ATOM 852 OE1 GLN A 53 -2.383 2.795 -18.386 1.00 0.00 O ATOM 853 NE2 GLN A 53 -1.692 1.012 -19.561 1.00 0.00 N ATOM 0 H GLN A 53 -0.086 -0.794 -14.718 1.00 0.00 H new ATOM 0 HA GLN A 53 1.095 -0.450 -17.381 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.267 0.231 -16.778 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.582 1.436 -15.705 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.026 2.827 -17.399 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.550 1.524 -18.421 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.971 0.305 -19.709 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.526 1.020 -20.148 1.00 0.00 H new ATOM 862 N VAL A 54 2.081 0.886 -14.593 1.00 0.00 N ATOM 863 CA VAL A 54 3.112 1.642 -13.931 1.00 0.00 C ATOM 864 C VAL A 54 4.352 0.808 -13.645 1.00 0.00 C ATOM 865 O VAL A 54 5.412 1.344 -13.334 1.00 0.00 O ATOM 866 CB VAL A 54 2.573 2.257 -12.628 1.00 0.00 C ATOM 867 CG1 VAL A 54 2.377 1.250 -11.511 1.00 0.00 C ATOM 868 CG2 VAL A 54 3.482 3.350 -12.173 1.00 0.00 C ATOM 0 H VAL A 54 1.433 0.419 -13.959 1.00 0.00 H new ATOM 0 HA VAL A 54 3.410 2.439 -14.612 1.00 0.00 H new ATOM 0 HB VAL A 54 1.584 2.652 -12.860 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.995 1.758 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.664 0.489 -11.828 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.331 0.778 -11.275 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.097 3.783 -11.250 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.478 2.945 -11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.536 4.122 -12.941 1.00 0.00 H new ATOM 878 N THR A 55 4.207 -0.500 -13.744 1.00 0.00 N ATOM 879 CA THR A 55 5.312 -1.414 -13.480 1.00 0.00 C ATOM 880 C THR A 55 6.505 -1.170 -14.395 1.00 0.00 C ATOM 881 O THR A 55 7.631 -1.556 -14.083 1.00 0.00 O ATOM 882 CB THR A 55 4.870 -2.861 -13.625 1.00 0.00 C ATOM 883 OG1 THR A 55 3.533 -3.036 -13.193 1.00 0.00 O ATOM 884 CG2 THR A 55 5.748 -3.799 -12.835 1.00 0.00 C ATOM 0 H THR A 55 3.334 -0.958 -14.006 1.00 0.00 H new ATOM 0 HA THR A 55 5.623 -1.221 -12.453 1.00 0.00 H new ATOM 0 HB THR A 55 4.952 -3.098 -14.686 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.258 -2.263 -12.658 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.397 -4.823 -12.966 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.776 -3.719 -13.188 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.706 -3.534 -11.779 1.00 0.00 H new ATOM 892 N ARG A 56 6.247 -0.559 -15.533 1.00 0.00 N ATOM 893 CA ARG A 56 7.298 -0.290 -16.512 1.00 0.00 C ATOM 894 C ARG A 56 7.229 1.140 -17.044 1.00 0.00 C ATOM 895 O ARG A 56 7.428 1.375 -18.236 1.00 0.00 O ATOM 896 CB ARG A 56 7.185 -1.275 -17.675 1.00 0.00 C ATOM 897 CG ARG A 56 5.901 -1.118 -18.476 1.00 0.00 C ATOM 898 CD ARG A 56 5.019 -2.355 -18.377 1.00 0.00 C ATOM 899 NE ARG A 56 4.561 -2.808 -19.688 1.00 0.00 N ATOM 900 CZ ARG A 56 3.708 -3.814 -19.868 1.00 0.00 C ATOM 901 NH1 ARG A 56 3.219 -4.472 -18.825 1.00 0.00 N ATOM 902 NH2 ARG A 56 3.344 -4.163 -21.094 1.00 0.00 N ATOM 0 H ARG A 56 5.320 -0.236 -15.810 1.00 0.00 H new ATOM 0 HA ARG A 56 8.257 -0.413 -16.009 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.038 -1.140 -18.340 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.241 -2.292 -17.287 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.351 -0.249 -18.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.145 -0.928 -19.521 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.573 -3.157 -17.890 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.156 -2.136 -17.748 1.00 0.00 H new ATOM 0 HE ARG A 56 4.915 -2.325 -20.514 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.496 -4.208 -17.880 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.566 -5.242 -18.968 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.718 -3.661 -21.899 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.690 -4.934 -21.232 1.00 0.00 H new ATOM 916 N THR A 57 6.943 2.090 -16.164 1.00 0.00 N ATOM 917 CA THR A 57 6.847 3.492 -16.568 1.00 0.00 C ATOM 918 C THR A 57 7.830 4.370 -15.796 1.00 0.00 C ATOM 919 O THR A 57 8.695 3.873 -15.075 1.00 0.00 O ATOM 920 CB THR A 57 5.427 4.000 -16.338 1.00 0.00 C ATOM 921 OG1 THR A 57 5.225 5.247 -16.989 1.00 0.00 O ATOM 922 CG2 THR A 57 5.094 4.173 -14.869 1.00 0.00 C ATOM 0 H THR A 57 6.774 1.921 -15.172 1.00 0.00 H new ATOM 0 HA THR A 57 7.099 3.550 -17.627 1.00 0.00 H new ATOM 0 HB THR A 57 4.768 3.238 -16.755 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.752 5.102 -17.835 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.071 4.536 -14.768 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.191 3.215 -14.359 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.780 4.892 -14.423 1.00 0.00 H new ATOM 930 N GLN A 58 7.664 5.684 -15.940 1.00 0.00 N ATOM 931 CA GLN A 58 8.508 6.646 -15.243 1.00 0.00 C ATOM 932 C GLN A 58 8.031 6.795 -13.804 1.00 0.00 C ATOM 933 O GLN A 58 8.833 6.937 -12.881 1.00 0.00 O ATOM 934 CB GLN A 58 8.477 8.001 -15.955 1.00 0.00 C ATOM 935 CG GLN A 58 9.635 8.208 -16.918 1.00 0.00 C ATOM 936 CD GLN A 58 9.708 9.627 -17.447 1.00 0.00 C ATOM 937 OE1 GLN A 58 9.749 9.849 -18.657 1.00 0.00 O ATOM 938 NE2 GLN A 58 9.727 10.596 -16.540 1.00 0.00 N ATOM 0 H GLN A 58 6.950 6.105 -16.535 1.00 0.00 H new ATOM 0 HA GLN A 58 9.536 6.283 -15.244 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.539 8.093 -16.502 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.490 8.795 -15.208 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.570 7.964 -16.414 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.534 7.517 -17.755 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.691 10.366 -15.547 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.777 11.571 -16.836 1.00 0.00 H new ATOM 947 N GLN A 59 6.712 6.737 -13.623 1.00 0.00 N ATOM 948 CA GLN A 59 6.107 6.838 -12.303 1.00 0.00 C ATOM 949 C GLN A 59 6.626 5.728 -11.389 1.00 0.00 C ATOM 950 O GLN A 59 6.463 5.780 -10.171 1.00 0.00 O ATOM 951 CB GLN A 59 4.581 6.751 -12.411 1.00 0.00 C ATOM 952 CG GLN A 59 4.021 7.283 -13.727 1.00 0.00 C ATOM 953 CD GLN A 59 4.505 8.684 -14.043 1.00 0.00 C ATOM 954 OE1 GLN A 59 5.238 9.291 -13.262 1.00 0.00 O ATOM 955 NE2 GLN A 59 4.096 9.205 -15.194 1.00 0.00 N ATOM 0 H GLN A 59 6.041 6.620 -14.382 1.00 0.00 H new ATOM 0 HA GLN A 59 6.379 7.802 -11.874 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.277 5.711 -12.293 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.136 7.309 -11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.308 6.612 -14.537 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.932 7.281 -13.681 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.489 8.665 -15.811 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.389 10.145 -15.461 1.00 0.00 H new ATOM 964 N TRP A 60 7.249 4.717 -11.982 1.00 0.00 N ATOM 965 CA TRP A 60 7.786 3.609 -11.214 1.00 0.00 C ATOM 966 C TRP A 60 9.150 3.954 -10.664 1.00 0.00 C ATOM 967 O TRP A 60 9.482 3.601 -9.532 1.00 0.00 O ATOM 968 CB TRP A 60 7.868 2.357 -12.073 1.00 0.00 C ATOM 969 CG TRP A 60 7.182 1.180 -11.464 1.00 0.00 C ATOM 970 CD1 TRP A 60 7.466 -0.124 -11.703 1.00 0.00 C ATOM 971 CD2 TRP A 60 6.097 1.192 -10.525 1.00 0.00 C ATOM 972 NE1 TRP A 60 6.625 -0.931 -10.986 1.00 0.00 N ATOM 973 CE2 TRP A 60 5.776 -0.148 -10.249 1.00 0.00 C ATOM 974 CE3 TRP A 60 5.364 2.201 -9.891 1.00 0.00 C ATOM 975 CZ2 TRP A 60 4.756 -0.505 -9.368 1.00 0.00 C ATOM 976 CZ3 TRP A 60 4.359 1.849 -9.020 1.00 0.00 C ATOM 977 CH2 TRP A 60 4.061 0.506 -8.763 1.00 0.00 C ATOM 0 H TRP A 60 7.393 4.645 -12.989 1.00 0.00 H new ATOM 0 HA TRP A 60 7.114 3.416 -10.378 1.00 0.00 H new ATOM 0 HB2 TRP A 60 7.425 2.563 -13.047 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.916 2.110 -12.245 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.244 -0.475 -12.364 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.629 -1.951 -10.998 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.584 3.241 -10.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.523 -1.541 -9.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.790 2.623 -8.526 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.266 0.263 -8.073 1.00 0.00 H new ATOM 988 N SER A 61 9.938 4.661 -11.457 1.00 0.00 N ATOM 989 CA SER A 61 11.258 5.063 -11.021 1.00 0.00 C ATOM 990 C SER A 61 11.154 5.792 -9.684 1.00 0.00 C ATOM 991 O SER A 61 12.094 5.789 -8.900 1.00 0.00 O ATOM 992 CB SER A 61 11.920 5.962 -12.065 1.00 0.00 C ATOM 993 OG SER A 61 13.321 5.752 -12.105 1.00 0.00 O ATOM 0 H SER A 61 9.687 4.965 -12.398 1.00 0.00 H new ATOM 0 HA SER A 61 11.876 4.173 -10.899 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.491 5.761 -13.047 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.712 7.007 -11.834 1.00 0.00 H new ATOM 0 HG SER A 61 13.720 6.338 -12.782 1.00 0.00 H new ATOM 999 N MET A 62 9.986 6.392 -9.417 1.00 0.00 N ATOM 1000 CA MET A 62 9.764 7.093 -8.158 1.00 0.00 C ATOM 1001 C MET A 62 9.279 6.103 -7.110 1.00 0.00 C ATOM 1002 O MET A 62 9.721 6.138 -5.965 1.00 0.00 O ATOM 1003 CB MET A 62 8.764 8.243 -8.328 1.00 0.00 C ATOM 1004 CG MET A 62 7.407 7.812 -8.852 1.00 0.00 C ATOM 1005 SD MET A 62 6.104 9.006 -8.493 1.00 0.00 S ATOM 1006 CE MET A 62 4.682 8.178 -9.204 1.00 0.00 C ATOM 0 H MET A 62 9.190 6.403 -10.054 1.00 0.00 H new ATOM 0 HA MET A 62 10.706 7.532 -7.830 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.630 8.738 -7.366 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.187 8.980 -9.010 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.470 7.664 -9.930 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.142 6.850 -8.413 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.773 8.537 -8.721 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.634 8.390 -10.272 1.00 0.00 H new ATOM 0 HE3 MET A 62 4.773 7.103 -9.052 1.00 0.00 H new ATOM 1016 N VAL A 63 8.404 5.185 -7.526 1.00 0.00 N ATOM 1017 CA VAL A 63 7.904 4.145 -6.634 1.00 0.00 C ATOM 1018 C VAL A 63 9.106 3.325 -6.171 1.00 0.00 C ATOM 1019 O VAL A 63 9.611 3.500 -5.054 1.00 0.00 O ATOM 1020 CB VAL A 63 6.848 3.269 -7.372 1.00 0.00 C ATOM 1021 CG1 VAL A 63 6.903 1.802 -6.976 1.00 0.00 C ATOM 1022 CG2 VAL A 63 5.457 3.816 -7.130 1.00 0.00 C ATOM 0 H VAL A 63 8.029 5.143 -8.474 1.00 0.00 H new ATOM 0 HA VAL A 63 7.402 4.574 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 63 7.091 3.318 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.142 1.248 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.888 1.398 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.719 1.707 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.727 3.196 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.244 3.808 -6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.398 4.838 -7.504 1.00 0.00 H new ATOM 1032 N ALA A 64 9.580 2.465 -7.064 1.00 0.00 N ATOM 1033 CA ALA A 64 10.762 1.640 -6.801 1.00 0.00 C ATOM 1034 C ALA A 64 11.852 2.410 -6.036 1.00 0.00 C ATOM 1035 O ALA A 64 12.376 1.919 -5.039 1.00 0.00 O ATOM 1036 CB ALA A 64 11.338 1.141 -8.119 1.00 0.00 C ATOM 0 H ALA A 64 9.164 2.317 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 64 10.444 0.804 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 64 12.217 0.527 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.589 0.545 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.621 1.992 -8.738 1.00 0.00 H new ATOM 1042 N GLN A 65 12.210 3.605 -6.509 1.00 0.00 N ATOM 1043 CA GLN A 65 13.258 4.388 -5.848 1.00 0.00 C ATOM 1044 C GLN A 65 12.809 4.921 -4.489 1.00 0.00 C ATOM 1045 O GLN A 65 13.619 5.050 -3.572 1.00 0.00 O ATOM 1046 CB GLN A 65 13.727 5.546 -6.738 1.00 0.00 C ATOM 1047 CG GLN A 65 12.875 6.803 -6.629 1.00 0.00 C ATOM 1048 CD GLN A 65 13.316 7.711 -5.498 1.00 0.00 C ATOM 1049 OE1 GLN A 65 14.485 7.718 -5.113 1.00 0.00 O ATOM 1050 NE2 GLN A 65 12.380 8.484 -4.961 1.00 0.00 N ATOM 0 H GLN A 65 11.799 4.046 -7.332 1.00 0.00 H new ATOM 0 HA GLN A 65 14.095 3.710 -5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.756 5.795 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.731 5.213 -7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.922 7.352 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.834 6.519 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.423 8.445 -5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.618 9.117 -4.197 1.00 0.00 H new ATOM 1059 N ARG A 66 11.522 5.236 -4.359 1.00 0.00 N ATOM 1060 CA ARG A 66 10.995 5.759 -3.101 1.00 0.00 C ATOM 1061 C ARG A 66 11.450 4.909 -1.930 1.00 0.00 C ATOM 1062 O ARG A 66 12.129 5.387 -1.021 1.00 0.00 O ATOM 1063 CB ARG A 66 9.469 5.802 -3.124 1.00 0.00 C ATOM 1064 CG ARG A 66 8.907 7.149 -2.698 1.00 0.00 C ATOM 1065 CD ARG A 66 9.127 8.207 -3.768 1.00 0.00 C ATOM 1066 NE ARG A 66 8.361 9.421 -3.502 1.00 0.00 N ATOM 1067 CZ ARG A 66 8.493 10.548 -4.198 1.00 0.00 C ATOM 1068 NH1 ARG A 66 9.361 10.619 -5.201 1.00 0.00 N ATOM 1069 NH2 ARG A 66 7.756 11.607 -3.892 1.00 0.00 N ATOM 0 H ARG A 66 10.830 5.139 -5.102 1.00 0.00 H new ATOM 0 HA ARG A 66 11.380 6.772 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.119 5.570 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.079 5.027 -2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.841 7.052 -2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.381 7.465 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.188 8.452 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.842 7.804 -4.740 1.00 0.00 H new ATOM 0 HE ARG A 66 7.685 9.405 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.930 9.807 -5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.458 11.485 -5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.088 11.558 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.857 12.470 -4.426 1.00 0.00 H new ATOM 1083 N LEU A 67 11.070 3.643 -1.964 1.00 0.00 N ATOM 1084 CA LEU A 67 11.440 2.717 -0.904 1.00 0.00 C ATOM 1085 C LEU A 67 12.923 2.352 -0.994 1.00 0.00 C ATOM 1086 O LEU A 67 13.498 1.822 -0.043 1.00 0.00 O ATOM 1087 CB LEU A 67 10.580 1.456 -0.984 1.00 0.00 C ATOM 1088 CG LEU A 67 11.030 0.445 -2.035 1.00 0.00 C ATOM 1089 CD1 LEU A 67 12.128 -0.445 -1.476 1.00 0.00 C ATOM 1090 CD2 LEU A 67 9.853 -0.385 -2.525 1.00 0.00 C ATOM 0 H LEU A 67 10.508 3.233 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 67 11.266 3.205 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.580 0.970 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.551 1.747 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 67 11.432 0.990 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.439 -1.161 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.981 0.168 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.753 -0.982 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.198 -1.099 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.413 -0.923 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.104 0.272 -2.968 1.00 0.00 H new ATOM 1102 N GLN A 68 13.531 2.634 -2.149 1.00 0.00 N ATOM 1103 CA GLN A 68 14.944 2.336 -2.383 1.00 0.00 C ATOM 1104 C GLN A 68 15.134 0.873 -2.776 1.00 0.00 C ATOM 1105 O GLN A 68 15.918 0.149 -2.162 1.00 0.00 O ATOM 1106 CB GLN A 68 15.787 2.663 -1.145 1.00 0.00 C ATOM 1107 CG GLN A 68 17.133 3.288 -1.473 1.00 0.00 C ATOM 1108 CD GLN A 68 17.913 3.677 -0.232 1.00 0.00 C ATOM 1109 OE1 GLN A 68 19.000 3.158 0.020 1.00 0.00 O ATOM 1110 NE2 GLN A 68 17.360 4.595 0.552 1.00 0.00 N ATOM 0 H GLN A 68 13.061 3.072 -2.942 1.00 0.00 H new ATOM 0 HA GLN A 68 15.282 2.964 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.227 3.343 -0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.950 1.748 -0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.722 2.585 -2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.978 4.172 -2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.457 4.999 0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.838 4.896 1.401 1.00 0.00 H new ATOM 1119 N ILE A 69 14.411 0.445 -3.809 1.00 0.00 N ATOM 1120 CA ILE A 69 14.501 -0.930 -4.288 1.00 0.00 C ATOM 1121 C ILE A 69 15.164 -0.990 -5.663 1.00 0.00 C ATOM 1122 O ILE A 69 15.877 -1.943 -5.977 1.00 0.00 O ATOM 1123 CB ILE A 69 13.109 -1.603 -4.351 1.00 0.00 C ATOM 1124 CG1 ILE A 69 13.192 -2.968 -5.039 1.00 0.00 C ATOM 1125 CG2 ILE A 69 12.109 -0.709 -5.070 1.00 0.00 C ATOM 1126 CD1 ILE A 69 14.263 -3.874 -4.470 1.00 0.00 C ATOM 0 H ILE A 69 13.758 1.031 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 69 15.116 -1.477 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 69 12.765 -1.755 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.226 -3.466 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.383 -2.818 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.138 -1.202 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.018 0.237 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.454 -0.521 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.261 -4.822 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.237 -3.398 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.063 -4.056 -3.414 1.00 0.00 H new ATOM 1138 N SER A 70 14.928 0.033 -6.479 1.00 0.00 N ATOM 1139 CA SER A 70 15.506 0.094 -7.819 1.00 0.00 C ATOM 1140 C SER A 70 15.196 -1.176 -8.607 1.00 0.00 C ATOM 1141 O SER A 70 15.987 -1.610 -9.445 1.00 0.00 O ATOM 1142 CB SER A 70 17.020 0.297 -7.736 1.00 0.00 C ATOM 1143 OG SER A 70 17.567 0.591 -9.009 1.00 0.00 O ATOM 0 H SER A 70 14.341 0.831 -6.237 1.00 0.00 H new ATOM 0 HA SER A 70 15.059 0.941 -8.340 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.243 1.110 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.489 -0.601 -7.334 1.00 0.00 H new ATOM 0 HG SER A 70 17.262 -0.077 -9.658 1.00 0.00 H new ATOM 1149 N ASP A 71 14.039 -1.767 -8.329 1.00 0.00 N ATOM 1150 CA ASP A 71 13.617 -2.989 -9.005 1.00 0.00 C ATOM 1151 C ASP A 71 12.156 -2.881 -9.438 1.00 0.00 C ATOM 1152 O ASP A 71 11.304 -3.612 -8.941 1.00 0.00 O ATOM 1153 CB ASP A 71 13.806 -4.192 -8.074 1.00 0.00 C ATOM 1154 CG ASP A 71 14.465 -5.366 -8.772 1.00 0.00 C ATOM 1155 OD1 ASP A 71 13.974 -5.769 -9.848 1.00 0.00 O ATOM 1156 OD2 ASP A 71 15.472 -5.882 -8.244 1.00 0.00 O ATOM 0 H ASP A 71 13.375 -1.418 -7.638 1.00 0.00 H new ATOM 0 HA ASP A 71 14.231 -3.129 -9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.413 -3.894 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.836 -4.502 -7.684 1.00 0.00 H new ATOM 1161 N TYR A 72 11.879 -1.952 -10.361 1.00 0.00 N ATOM 1162 CA TYR A 72 10.523 -1.707 -10.871 1.00 0.00 C ATOM 1163 C TYR A 72 9.688 -2.981 -10.975 1.00 0.00 C ATOM 1164 O TYR A 72 8.463 -2.956 -10.807 1.00 0.00 O ATOM 1165 CB TYR A 72 10.596 -1.028 -12.237 1.00 0.00 C ATOM 1166 CG TYR A 72 11.786 -1.448 -13.071 1.00 0.00 C ATOM 1167 CD1 TYR A 72 11.797 -2.673 -13.727 1.00 0.00 C ATOM 1168 CD2 TYR A 72 12.896 -0.623 -13.202 1.00 0.00 C ATOM 1169 CE1 TYR A 72 12.880 -3.064 -14.491 1.00 0.00 C ATOM 1170 CE2 TYR A 72 13.983 -1.007 -13.965 1.00 0.00 C ATOM 1171 CZ TYR A 72 13.970 -2.228 -14.607 1.00 0.00 C ATOM 1172 OH TYR A 72 15.050 -2.613 -15.367 1.00 0.00 O ATOM 0 H TYR A 72 12.589 -1.348 -10.776 1.00 0.00 H new ATOM 0 HA TYR A 72 10.027 -1.056 -10.151 1.00 0.00 H new ATOM 0 HB2 TYR A 72 9.683 -1.248 -12.790 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.629 0.052 -12.093 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.945 -3.330 -13.638 1.00 0.00 H new ATOM 0 HD2 TYR A 72 12.910 0.333 -12.700 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.873 -4.019 -14.995 1.00 0.00 H new ATOM 0 HE2 TYR A 72 14.838 -0.354 -14.058 1.00 0.00 H new ATOM 0 HH TYR A 72 15.732 -1.910 -15.346 1.00 0.00 H new ATOM 1182 N GLN A 73 10.345 -4.091 -11.256 1.00 0.00 N ATOM 1183 CA GLN A 73 9.655 -5.355 -11.384 1.00 0.00 C ATOM 1184 C GLN A 73 9.133 -5.825 -10.023 1.00 0.00 C ATOM 1185 O GLN A 73 8.000 -6.308 -9.904 1.00 0.00 O ATOM 1186 CB GLN A 73 10.607 -6.369 -12.018 1.00 0.00 C ATOM 1187 CG GLN A 73 11.273 -7.318 -11.039 1.00 0.00 C ATOM 1188 CD GLN A 73 10.483 -8.601 -10.858 1.00 0.00 C ATOM 1189 OE1 GLN A 73 9.769 -8.701 -9.743 1.00 0.00 O flip ATOM 1190 NE2 GLN A 73 10.514 -9.490 -11.710 1.00 0.00 N flip ATOM 0 H GLN A 73 11.354 -4.140 -11.399 1.00 0.00 H new ATOM 0 HA GLN A 73 8.784 -5.245 -12.029 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.054 -6.956 -12.751 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.382 -5.828 -12.561 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.276 -7.557 -11.393 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.385 -6.823 -10.074 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.077 -9.370 -12.552 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.977 -10.346 -11.573 1.00 0.00 H new ATOM 1199 N GLN A 74 9.946 -5.640 -8.987 1.00 0.00 N ATOM 1200 CA GLN A 74 9.550 -6.011 -7.650 1.00 0.00 C ATOM 1201 C GLN A 74 8.427 -5.107 -7.214 1.00 0.00 C ATOM 1202 O GLN A 74 7.580 -5.489 -6.413 1.00 0.00 O ATOM 1203 CB GLN A 74 10.736 -5.894 -6.693 1.00 0.00 C ATOM 1204 CG GLN A 74 10.810 -7.012 -5.671 1.00 0.00 C ATOM 1205 CD GLN A 74 11.358 -8.301 -6.252 1.00 0.00 C ATOM 1206 OE1 GLN A 74 10.826 -8.832 -7.227 1.00 0.00 O ATOM 1207 NE2 GLN A 74 12.427 -8.813 -5.653 1.00 0.00 N ATOM 0 H GLN A 74 10.880 -5.235 -9.057 1.00 0.00 H new ATOM 0 HA GLN A 74 9.212 -7.047 -7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.659 -5.883 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.676 -4.940 -6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.440 -6.697 -4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.815 -7.195 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 74 12.836 -8.340 -4.847 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.839 -9.680 -5.999 1.00 0.00 H new ATOM 1216 N LEU A 75 8.428 -3.896 -7.763 1.00 0.00 N ATOM 1217 CA LEU A 75 7.422 -2.924 -7.450 1.00 0.00 C ATOM 1218 C LEU A 75 6.041 -3.445 -7.708 1.00 0.00 C ATOM 1219 O LEU A 75 5.314 -3.736 -6.776 1.00 0.00 O ATOM 1220 CB LEU A 75 7.675 -1.663 -8.224 1.00 0.00 C ATOM 1221 CG LEU A 75 8.776 -0.844 -7.616 1.00 0.00 C ATOM 1222 CD1 LEU A 75 8.385 -0.481 -6.205 1.00 0.00 C ATOM 1223 CD2 LEU A 75 10.077 -1.617 -7.611 1.00 0.00 C ATOM 0 H LEU A 75 9.128 -3.576 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 75 7.482 -2.705 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.935 -1.914 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.761 -1.071 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 75 8.923 0.060 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.176 0.115 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.460 0.095 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.236 -1.391 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.862 -1.005 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.955 -2.531 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.352 -1.873 -8.634 1.00 0.00 H new ATOM 1235 N GLU A 76 5.645 -3.592 -8.953 1.00 0.00 N ATOM 1236 CA GLU A 76 4.308 -4.112 -9.161 1.00 0.00 C ATOM 1237 C GLU A 76 4.155 -5.466 -8.477 1.00 0.00 C ATOM 1238 O GLU A 76 3.042 -5.904 -8.212 1.00 0.00 O ATOM 1239 CB GLU A 76 3.889 -4.204 -10.611 1.00 0.00 C ATOM 1240 CG GLU A 76 2.394 -4.434 -10.718 1.00 0.00 C ATOM 1241 CD GLU A 76 1.953 -4.932 -12.078 1.00 0.00 C ATOM 1242 OE1 GLU A 76 2.826 -5.329 -12.878 1.00 0.00 O ATOM 1243 OE2 GLU A 76 0.732 -4.937 -12.339 1.00 0.00 O ATOM 0 H GLU A 76 6.187 -3.376 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 76 3.635 -3.384 -8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.160 -3.286 -11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.424 -5.018 -11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.091 -5.156 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.875 -3.502 -10.496 1.00 0.00 H new ATOM 1250 N SER A 77 5.271 -6.102 -8.111 1.00 0.00 N ATOM 1251 CA SER A 77 5.184 -7.351 -7.381 1.00 0.00 C ATOM 1252 C SER A 77 4.572 -7.018 -6.028 1.00 0.00 C ATOM 1253 O SER A 77 3.929 -7.839 -5.375 1.00 0.00 O ATOM 1254 CB SER A 77 6.567 -7.987 -7.212 1.00 0.00 C ATOM 1255 OG SER A 77 6.554 -9.350 -7.603 1.00 0.00 O ATOM 0 H SER A 77 6.218 -5.777 -8.306 1.00 0.00 H new ATOM 0 HA SER A 77 4.574 -8.075 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.297 -7.441 -7.810 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.883 -7.907 -6.172 1.00 0.00 H new ATOM 0 HG SER A 77 7.449 -9.732 -7.487 1.00 0.00 H new ATOM 1261 N ILE A 78 4.765 -5.761 -5.654 1.00 0.00 N ATOM 1262 CA ILE A 78 4.248 -5.207 -4.430 1.00 0.00 C ATOM 1263 C ILE A 78 2.754 -4.976 -4.547 1.00 0.00 C ATOM 1264 O ILE A 78 1.955 -5.433 -3.727 1.00 0.00 O ATOM 1265 CB ILE A 78 4.924 -3.830 -4.110 1.00 0.00 C ATOM 1266 CG1 ILE A 78 4.195 -2.643 -4.790 1.00 0.00 C ATOM 1267 CG2 ILE A 78 6.384 -3.812 -4.511 1.00 0.00 C ATOM 1268 CD1 ILE A 78 3.975 -1.469 -3.876 1.00 0.00 C ATOM 0 H ILE A 78 5.297 -5.092 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 78 4.463 -5.919 -3.633 1.00 0.00 H new ATOM 0 HB ILE A 78 4.850 -3.710 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.776 -2.317 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.231 -2.986 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.815 -2.840 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.920 -4.590 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.469 -3.993 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.460 -0.677 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.368 -1.779 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.937 -1.099 -3.520 1.00 0.00 H new ATOM 1280 N TYR A 79 2.415 -4.220 -5.580 1.00 0.00 N ATOM 1281 CA TYR A 79 1.063 -3.827 -5.856 1.00 0.00 C ATOM 1282 C TYR A 79 0.273 -4.991 -6.378 1.00 0.00 C ATOM 1283 O TYR A 79 -0.772 -5.352 -5.844 1.00 0.00 O ATOM 1284 CB TYR A 79 1.084 -2.686 -6.877 1.00 0.00 C ATOM 1285 CG TYR A 79 -0.266 -2.061 -7.160 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -1.298 -2.788 -7.742 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -0.499 -0.729 -6.855 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -2.523 -2.199 -8.008 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -1.718 -0.134 -7.119 1.00 0.00 C ATOM 1290 CZ TYR A 79 -2.726 -0.873 -7.695 1.00 0.00 C ATOM 1291 OH TYR A 79 -3.941 -0.285 -7.960 1.00 0.00 O ATOM 0 H TYR A 79 3.091 -3.862 -6.255 1.00 0.00 H new ATOM 0 HA TYR A 79 0.583 -3.487 -4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.760 -1.910 -6.519 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.498 -3.062 -7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.142 -3.827 -7.990 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.288 -0.144 -6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.316 -2.777 -8.459 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.879 0.906 -6.875 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.884 0.221 -8.798 1.00 0.00 H new ATOM 1301 N PHE A 80 0.788 -5.555 -7.443 1.00 0.00 N ATOM 1302 CA PHE A 80 0.134 -6.671 -8.105 1.00 0.00 C ATOM 1303 C PHE A 80 0.298 -8.009 -7.390 1.00 0.00 C ATOM 1304 O PHE A 80 -0.680 -8.751 -7.241 1.00 0.00 O ATOM 1305 CB PHE A 80 0.651 -6.803 -9.548 1.00 0.00 C ATOM 1306 CG PHE A 80 0.307 -8.099 -10.248 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -0.861 -8.789 -9.960 1.00 0.00 C ATOM 1308 CD2 PHE A 80 1.166 -8.621 -11.203 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -1.164 -9.970 -10.609 1.00 0.00 C ATOM 1310 CE2 PHE A 80 0.867 -9.802 -11.855 1.00 0.00 C ATOM 1311 CZ PHE A 80 -0.299 -10.478 -11.558 1.00 0.00 C ATOM 0 H PHE A 80 1.663 -5.261 -7.877 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.931 -6.439 -8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.252 -5.976 -10.135 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.735 -6.693 -9.538 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.542 -8.398 -9.219 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.081 -8.098 -11.440 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.077 -10.496 -10.374 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.546 -10.196 -12.597 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.534 -11.401 -12.066 1.00 0.00 H new ATOM 1321 N ARG A 81 1.527 -8.360 -7.016 1.00 0.00 N ATOM 1322 CA ARG A 81 1.760 -9.681 -6.434 1.00 0.00 C ATOM 1323 C ARG A 81 1.386 -9.832 -4.967 1.00 0.00 C ATOM 1324 O ARG A 81 1.096 -10.947 -4.534 1.00 0.00 O ATOM 1325 CB ARG A 81 3.201 -10.121 -6.678 1.00 0.00 C ATOM 1326 CG ARG A 81 3.385 -10.854 -7.998 1.00 0.00 C ATOM 1327 CD ARG A 81 2.854 -10.045 -9.179 1.00 0.00 C ATOM 1328 NE ARG A 81 3.909 -9.266 -9.823 1.00 0.00 N ATOM 1329 CZ ARG A 81 4.947 -9.808 -10.458 1.00 0.00 C ATOM 1330 NH1 ARG A 81 5.070 -11.127 -10.538 1.00 0.00 N ATOM 1331 NH2 ARG A 81 5.864 -9.028 -11.015 1.00 0.00 N ATOM 0 H ARG A 81 2.354 -7.769 -7.101 1.00 0.00 H new ATOM 0 HA ARG A 81 1.069 -10.343 -6.955 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.850 -9.245 -6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.520 -10.769 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.443 -11.067 -8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.870 -11.814 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.404 -10.719 -9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.066 -9.375 -8.835 1.00 0.00 H new ATOM 0 HE ARG A 81 3.847 -8.249 -9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.368 -11.731 -10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.867 -11.536 -11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.774 -8.014 -10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.659 -9.443 -11.501 1.00 0.00 H new ATOM 1345 N ILE A 82 1.382 -8.762 -4.185 1.00 0.00 N ATOM 1346 CA ILE A 82 1.024 -8.913 -2.783 1.00 0.00 C ATOM 1347 C ILE A 82 -0.411 -8.474 -2.516 1.00 0.00 C ATOM 1348 O ILE A 82 -1.080 -9.041 -1.654 1.00 0.00 O ATOM 1349 CB ILE A 82 2.006 -8.174 -1.853 1.00 0.00 C ATOM 1350 CG1 ILE A 82 3.386 -8.817 -1.960 1.00 0.00 C ATOM 1351 CG2 ILE A 82 1.521 -8.222 -0.410 1.00 0.00 C ATOM 1352 CD1 ILE A 82 4.486 -8.004 -1.311 1.00 0.00 C ATOM 0 H ILE A 82 1.613 -7.814 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 82 1.095 -9.977 -2.557 1.00 0.00 H new ATOM 0 HB ILE A 82 2.064 -7.130 -2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.354 -9.804 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.628 -8.965 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.229 -7.695 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.543 -7.746 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.444 -9.260 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.438 -8.522 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.545 -7.026 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.268 -7.878 -0.251 1.00 0.00 H new ATOM 1364 N LEU A 83 -0.896 -7.480 -3.255 1.00 0.00 N ATOM 1365 CA LEU A 83 -2.261 -7.014 -3.059 1.00 0.00 C ATOM 1366 C LEU A 83 -2.766 -6.232 -4.262 1.00 0.00 C ATOM 1367 O LEU A 83 -3.137 -5.068 -4.126 1.00 0.00 O ATOM 1368 CB LEU A 83 -2.349 -6.131 -1.817 1.00 0.00 C ATOM 1369 CG LEU A 83 -1.379 -4.950 -1.780 1.00 0.00 C ATOM 1370 CD1 LEU A 83 -1.924 -3.864 -0.876 1.00 0.00 C ATOM 1371 CD2 LEU A 83 0.003 -5.379 -1.308 1.00 0.00 C ATOM 0 H LEU A 83 -0.374 -6.991 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.887 -7.897 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.366 -5.746 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.173 -6.751 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.280 -4.563 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.228 -3.025 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.888 -3.525 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.049 -4.259 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.667 -4.515 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.069 -5.798 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.402 -6.132 -1.988 1.00 0.00 H new ATOM 1383 N LEU A 84 -2.791 -6.847 -5.443 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.261 -6.134 -6.617 1.00 0.00 C ATOM 1385 C LEU A 84 -4.673 -5.549 -6.365 1.00 0.00 C ATOM 1386 O LEU A 84 -4.826 -4.344 -6.163 1.00 0.00 O ATOM 1387 CB LEU A 84 -3.206 -7.052 -7.864 1.00 0.00 C ATOM 1388 CG LEU A 84 -3.766 -6.453 -9.154 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -4.125 -5.011 -8.921 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -2.773 -6.578 -10.299 1.00 0.00 C ATOM 0 H LEU A 84 -2.499 -7.811 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.601 -5.290 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.168 -7.336 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.754 -7.968 -7.643 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.661 -7.008 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.525 -4.582 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.876 -4.946 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.235 -4.459 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.202 -6.143 -11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.854 -6.051 -10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.550 -7.631 -10.474 1.00 0.00 H new ATOM 1402 N PRO A 85 -5.704 -6.401 -6.360 1.00 0.00 N ATOM 1403 CA PRO A 85 -7.107 -6.039 -6.123 1.00 0.00 C ATOM 1404 C PRO A 85 -7.298 -4.982 -5.036 1.00 0.00 C ATOM 1405 O PRO A 85 -8.200 -4.153 -5.127 1.00 0.00 O ATOM 1406 CB PRO A 85 -7.721 -7.384 -5.663 1.00 0.00 C ATOM 1407 CG PRO A 85 -6.557 -8.323 -5.561 1.00 0.00 C ATOM 1408 CD PRO A 85 -5.596 -7.816 -6.574 1.00 0.00 C ATOM 0 HA PRO A 85 -7.561 -5.596 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.229 -7.279 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.460 -7.746 -6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.124 -8.315 -4.561 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.854 -9.351 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.584 -8.184 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.874 -8.103 -7.588 1.00 0.00 H new ATOM 1416 N TYR A 86 -6.467 -5.019 -4.002 1.00 0.00 N ATOM 1417 CA TYR A 86 -6.585 -4.058 -2.910 1.00 0.00 C ATOM 1418 C TYR A 86 -6.236 -2.647 -3.368 1.00 0.00 C ATOM 1419 O TYR A 86 -7.118 -1.843 -3.660 1.00 0.00 O ATOM 1420 CB TYR A 86 -5.717 -4.479 -1.723 1.00 0.00 C ATOM 1421 CG TYR A 86 -6.517 -4.641 -0.452 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -7.042 -3.534 0.195 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -6.764 -5.895 0.089 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -7.789 -3.663 1.345 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -7.510 -6.037 1.244 1.00 0.00 C ATOM 1426 CZ TYR A 86 -8.021 -4.917 1.868 1.00 0.00 C ATOM 1427 OH TYR A 86 -8.768 -5.054 3.016 1.00 0.00 O ATOM 0 H TYR A 86 -5.711 -5.696 -3.895 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.626 -4.049 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.218 -5.419 -1.957 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.937 -3.735 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.862 -2.550 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.368 -6.773 -0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.190 -2.787 1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.692 -7.019 1.656 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.837 -6.003 3.250 1.00 0.00 H new ATOM 1437 N GLU A 87 -4.951 -2.352 -3.425 1.00 0.00 N ATOM 1438 CA GLU A 87 -4.472 -1.031 -3.840 1.00 0.00 C ATOM 1439 C GLU A 87 -5.285 -0.466 -5.001 1.00 0.00 C ATOM 1440 O GLU A 87 -5.469 0.746 -5.112 1.00 0.00 O ATOM 1441 CB GLU A 87 -3.002 -1.112 -4.258 1.00 0.00 C ATOM 1442 CG GLU A 87 -2.252 -2.265 -3.625 1.00 0.00 C ATOM 1443 CD GLU A 87 -0.754 -2.032 -3.569 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -0.281 -1.069 -4.206 1.00 0.00 O ATOM 1445 OE2 GLU A 87 -0.055 -2.807 -2.886 1.00 0.00 O ATOM 0 H GLU A 87 -4.208 -3.010 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.587 -0.365 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.946 -1.206 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.506 -0.178 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.628 -2.426 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.453 -3.176 -4.189 1.00 0.00 H new ATOM 1452 N ARG A 88 -5.745 -1.347 -5.877 1.00 0.00 N ATOM 1453 CA ARG A 88 -6.509 -0.932 -7.043 1.00 0.00 C ATOM 1454 C ARG A 88 -8.013 -0.902 -6.791 1.00 0.00 C ATOM 1455 O ARG A 88 -8.666 0.118 -7.007 1.00 0.00 O ATOM 1456 CB ARG A 88 -6.210 -1.860 -8.221 1.00 0.00 C ATOM 1457 CG ARG A 88 -6.511 -1.240 -9.575 1.00 0.00 C ATOM 1458 CD ARG A 88 -8.007 -1.101 -9.804 1.00 0.00 C ATOM 1459 NE ARG A 88 -8.324 -0.817 -11.202 1.00 0.00 N ATOM 1460 CZ ARG A 88 -8.246 -1.720 -12.178 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -7.864 -2.963 -11.913 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -8.553 -1.379 -13.422 1.00 0.00 N ATOM 0 H ARG A 88 -5.602 -2.354 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.199 0.087 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.159 -2.148 -8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -6.795 -2.773 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.039 -0.260 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.077 -1.856 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.507 -2.020 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.397 -0.301 -9.174 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.622 0.128 -11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.628 -3.231 -10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.806 -3.650 -12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.849 -0.425 -13.631 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.493 -2.070 -14.170 1.00 0.00 H new ATOM 1476 N HIS A 89 -8.570 -2.043 -6.400 1.00 0.00 N ATOM 1477 CA HIS A 89 -10.011 -2.152 -6.202 1.00 0.00 C ATOM 1478 C HIS A 89 -10.494 -1.828 -4.782 1.00 0.00 C ATOM 1479 O HIS A 89 -11.698 -1.875 -4.528 1.00 0.00 O ATOM 1480 CB HIS A 89 -10.486 -3.551 -6.605 1.00 0.00 C ATOM 1481 CG HIS A 89 -11.357 -3.556 -7.824 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -11.493 -4.653 -8.649 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -12.136 -2.587 -8.359 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -12.318 -4.358 -9.639 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -12.722 -3.111 -9.485 1.00 0.00 N ATOM 0 H HIS A 89 -8.050 -2.901 -6.215 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.453 -1.388 -6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.617 -4.183 -6.786 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.035 -3.994 -5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.271 -1.588 -7.972 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -12.611 -5.024 -10.437 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.366 -2.616 -10.103 1.00 0.00 H new