USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.291 K(o=0.82,f=-3.6) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -172:sc= 0.534 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 151:sc= 1.68 (180deg=1.07) USER MOD Set 2.2: A 10 TYR OH : rot 104:sc= 0.436 USER MOD Set 3.1: A 5 HIS :FLIP no HD1:sc= -1.06 F(o=-1.8!,f=-1.1) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -40:sc= 0.195 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= 0.255 (180deg=0.195) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.209 (180deg=-0.907) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0677 K(o=-0.068,f=-3!) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.266 (180deg=-1.45!) USER MOD Single : A 44 THR OG1 : rot -75:sc= 0.445 USER MOD Single : A 46 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-5.3) USER MOD Single : A 50 SER OG : rot -98:sc= 1.31 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 141:sc= 0.823 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.994) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.23) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.780 9.830 -4.384 1.00 0.00 N ATOM 36 CA LYS A 4 8.660 10.594 -3.920 1.00 0.00 C ATOM 37 C LYS A 4 8.960 11.191 -2.562 1.00 0.00 C ATOM 38 O LYS A 4 10.110 11.151 -2.104 1.00 0.00 O ATOM 39 CB LYS A 4 7.462 9.647 -3.849 1.00 0.00 C ATOM 40 CG LYS A 4 7.794 8.271 -3.274 1.00 0.00 C ATOM 41 CD LYS A 4 8.060 8.274 -1.777 1.00 0.00 C ATOM 42 CE LYS A 4 8.126 6.869 -1.214 1.00 0.00 C ATOM 43 NZ LYS A 4 9.032 5.966 -1.960 1.00 0.00 N ATOM 0 HA LYS A 4 8.446 11.421 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.684 10.106 -3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.050 9.522 -4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.968 7.592 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.670 7.876 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.998 8.791 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.274 8.832 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.453 6.919 -0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.123 6.441 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.414 5.246 -1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.504 5.500 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.815 6.517 -2.365 1.00 0.00 H new ATOM 57 N HIS A 5 7.951 11.730 -1.928 1.00 0.00 N ATOM 58 CA HIS A 5 8.104 12.245 -0.586 1.00 0.00 C ATOM 59 C HIS A 5 7.102 11.579 0.372 1.00 0.00 C ATOM 60 O HIS A 5 7.394 11.408 1.538 1.00 0.00 O ATOM 61 CB HIS A 5 7.985 13.795 -0.545 1.00 0.00 C ATOM 62 CG HIS A 5 6.635 14.342 -0.919 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.600 14.706 -0.134 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 6.211 14.524 -2.209 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 4.535 15.103 -0.935 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.960 14.969 -2.177 1.00 0.00 N flip ATOM 0 H HIS A 5 7.013 11.825 -2.317 1.00 0.00 H new ATOM 0 HA HIS A 5 9.110 11.995 -0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.232 14.136 0.460 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.731 14.219 -1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.794 14.338 -3.099 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.565 15.448 -0.609 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.401 15.180 -3.004 1.00 0.00 H new ATOM 74 N SER A 6 5.933 11.177 -0.131 1.00 0.00 N ATOM 75 CA SER A 6 4.919 10.605 0.734 1.00 0.00 C ATOM 76 C SER A 6 3.970 9.728 -0.060 1.00 0.00 C ATOM 77 O SER A 6 4.136 9.566 -1.280 1.00 0.00 O ATOM 78 CB SER A 6 4.113 11.737 1.357 1.00 0.00 C ATOM 79 OG SER A 6 3.429 12.472 0.341 1.00 0.00 O ATOM 0 H SER A 6 5.675 11.238 -1.116 1.00 0.00 H new ATOM 0 HA SER A 6 5.410 10.003 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.394 11.332 2.070 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.775 12.401 1.914 1.00 0.00 H new ATOM 0 HG SER A 6 2.913 13.196 0.753 1.00 0.00 H new ATOM 85 N ILE A 7 2.955 9.207 0.636 1.00 0.00 N ATOM 86 CA ILE A 7 1.899 8.406 0.040 1.00 0.00 C ATOM 87 C ILE A 7 1.056 9.268 -0.912 1.00 0.00 C ATOM 88 O ILE A 7 0.628 8.807 -1.958 1.00 0.00 O ATOM 89 CB ILE A 7 0.966 7.781 1.144 1.00 0.00 C ATOM 90 CG1 ILE A 7 -0.122 6.901 0.514 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.323 8.866 2.005 1.00 0.00 C ATOM 92 CD1 ILE A 7 -1.073 6.281 1.522 1.00 0.00 C ATOM 0 H ILE A 7 2.849 9.336 1.642 1.00 0.00 H new ATOM 0 HA ILE A 7 2.369 7.595 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 7 1.593 7.158 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.697 7.501 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.355 6.105 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.315 8.403 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.101 9.448 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.277 9.522 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.812 5.674 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.511 5.653 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.579 7.070 2.078 1.00 0.00 H new ATOM 104 N SER A 8 0.900 10.547 -0.573 1.00 0.00 N ATOM 105 CA SER A 8 0.058 11.418 -1.343 1.00 0.00 C ATOM 106 C SER A 8 0.796 11.905 -2.593 1.00 0.00 C ATOM 107 O SER A 8 0.244 12.627 -3.419 1.00 0.00 O ATOM 108 CB SER A 8 -0.473 12.587 -0.473 1.00 0.00 C ATOM 109 OG SER A 8 -1.485 13.344 -1.143 1.00 0.00 O ATOM 0 H SER A 8 1.350 10.988 0.229 1.00 0.00 H new ATOM 0 HA SER A 8 -0.815 10.859 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.876 12.190 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.354 13.245 -0.208 1.00 0.00 H new ATOM 0 HG SER A 8 -1.244 13.448 -2.087 1.00 0.00 H new ATOM 115 N ASP A 9 2.061 11.522 -2.737 1.00 0.00 N ATOM 116 CA ASP A 9 2.764 11.833 -3.974 1.00 0.00 C ATOM 117 C ASP A 9 2.492 10.730 -5.000 1.00 0.00 C ATOM 118 O ASP A 9 2.735 10.883 -6.199 1.00 0.00 O ATOM 119 CB ASP A 9 4.262 12.034 -3.766 1.00 0.00 C ATOM 120 CG ASP A 9 4.944 12.569 -5.020 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.534 13.651 -5.524 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.873 11.920 -5.527 1.00 0.00 O ATOM 0 H ASP A 9 2.604 11.014 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 9 2.383 12.783 -4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.424 12.728 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.719 11.087 -3.480 1.00 0.00 H new ATOM 127 N TYR A 10 1.966 9.632 -4.523 1.00 0.00 N ATOM 128 CA TYR A 10 1.566 8.540 -5.371 1.00 0.00 C ATOM 129 C TYR A 10 0.151 8.763 -5.789 1.00 0.00 C ATOM 130 O TYR A 10 -0.661 9.214 -4.990 1.00 0.00 O ATOM 131 CB TYR A 10 1.633 7.194 -4.633 1.00 0.00 C ATOM 132 CG TYR A 10 3.012 6.654 -4.402 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.832 7.162 -3.416 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.497 5.618 -5.187 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.075 6.668 -3.223 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.757 5.112 -4.994 1.00 0.00 C ATOM 137 CZ TYR A 10 5.545 5.642 -4.010 1.00 0.00 C ATOM 138 OH TYR A 10 6.818 5.154 -3.812 1.00 0.00 O ATOM 0 H TYR A 10 1.802 9.470 -3.529 1.00 0.00 H new ATOM 0 HA TYR A 10 2.243 8.505 -6.224 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.138 7.303 -3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.064 6.459 -5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.476 7.966 -2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.872 5.203 -5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.703 7.081 -2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.122 4.305 -5.612 1.00 0.00 H new ATOM 0 HH TYR A 10 6.770 4.293 -3.347 1.00 0.00 H new ATOM 148 N THR A 11 -0.148 8.498 -7.024 1.00 0.00 N ATOM 149 CA THR A 11 -1.507 8.522 -7.458 1.00 0.00 C ATOM 150 C THR A 11 -2.141 7.236 -6.958 1.00 0.00 C ATOM 151 O THR A 11 -1.405 6.335 -6.495 1.00 0.00 O ATOM 152 CB THR A 11 -1.587 8.595 -8.995 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.769 7.563 -9.564 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.125 9.950 -9.503 1.00 0.00 C ATOM 0 H THR A 11 0.532 8.263 -7.747 1.00 0.00 H new ATOM 0 HA THR A 11 -2.025 9.398 -7.067 1.00 0.00 H new ATOM 0 HB THR A 11 -2.626 8.455 -9.294 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.820 7.607 -10.542 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.192 9.973 -10.591 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.759 10.731 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.092 10.119 -9.200 1.00 0.00 H new ATOM 162 N GLU A 12 -3.448 7.103 -7.040 1.00 0.00 N ATOM 163 CA GLU A 12 -4.077 5.885 -6.575 1.00 0.00 C ATOM 164 C GLU A 12 -3.560 4.721 -7.407 1.00 0.00 C ATOM 165 O GLU A 12 -3.330 3.653 -6.898 1.00 0.00 O ATOM 166 CB GLU A 12 -5.602 5.958 -6.645 1.00 0.00 C ATOM 167 CG GLU A 12 -6.289 4.772 -5.976 1.00 0.00 C ATOM 168 CD GLU A 12 -7.776 4.807 -6.117 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.415 5.705 -5.547 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.346 3.932 -6.822 1.00 0.00 O ATOM 0 H GLU A 12 -4.084 7.806 -7.416 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.820 5.743 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.938 6.880 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.910 6.007 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.910 3.847 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.030 4.758 -4.917 1.00 0.00 H new ATOM 177 N ALA A 13 -3.312 4.983 -8.680 1.00 0.00 N ATOM 178 CA ALA A 13 -2.768 3.986 -9.586 1.00 0.00 C ATOM 179 C ALA A 13 -1.339 3.600 -9.198 1.00 0.00 C ATOM 180 O ALA A 13 -1.044 2.417 -9.087 1.00 0.00 O ATOM 181 CB ALA A 13 -2.813 4.479 -11.023 1.00 0.00 C ATOM 0 H ALA A 13 -3.482 5.891 -9.113 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.391 3.095 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.400 3.716 -11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.846 4.683 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.225 5.392 -11.113 1.00 0.00 H new ATOM 187 N GLU A 14 -0.465 4.595 -8.968 1.00 0.00 N ATOM 188 CA GLU A 14 0.934 4.318 -8.579 1.00 0.00 C ATOM 189 C GLU A 14 1.016 3.640 -7.235 1.00 0.00 C ATOM 190 O GLU A 14 1.894 2.806 -6.997 1.00 0.00 O ATOM 191 CB GLU A 14 1.795 5.580 -8.579 1.00 0.00 C ATOM 192 CG GLU A 14 2.091 6.124 -9.953 1.00 0.00 C ATOM 193 CD GLU A 14 2.822 5.123 -10.806 1.00 0.00 C ATOM 194 OE1 GLU A 14 4.056 4.920 -10.609 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.199 4.533 -11.687 1.00 0.00 O ATOM 0 H GLU A 14 -0.695 5.586 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 14 1.329 3.640 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.291 6.351 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.737 5.364 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.158 6.405 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.689 7.031 -9.864 1.00 0.00 H new ATOM 202 N PHE A 15 0.113 3.979 -6.365 1.00 0.00 N ATOM 203 CA PHE A 15 0.057 3.356 -5.077 1.00 0.00 C ATOM 204 C PHE A 15 -0.516 1.982 -5.218 1.00 0.00 C ATOM 205 O PHE A 15 -0.131 1.086 -4.540 1.00 0.00 O ATOM 206 CB PHE A 15 -0.762 4.178 -4.112 1.00 0.00 C ATOM 207 CG PHE A 15 -0.746 3.638 -2.732 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.236 4.027 -1.853 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.718 2.743 -2.306 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.255 3.544 -0.579 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.701 2.259 -1.032 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.715 2.663 -0.167 1.00 0.00 C ATOM 0 H PHE A 15 -0.601 4.690 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 15 1.067 3.287 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.382 5.200 -4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.792 4.224 -4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.999 4.721 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.493 2.428 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.031 3.853 0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.459 1.562 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.702 2.286 0.845 1.00 0.00 H new ATOM 222 N LEU A 16 -1.405 1.816 -6.117 1.00 0.00 N ATOM 223 CA LEU A 16 -1.986 0.522 -6.342 1.00 0.00 C ATOM 224 C LEU A 16 -0.961 -0.386 -7.015 1.00 0.00 C ATOM 225 O LEU A 16 -1.035 -1.609 -6.959 1.00 0.00 O ATOM 226 CB LEU A 16 -3.303 0.693 -7.098 1.00 0.00 C ATOM 227 CG LEU A 16 -4.135 -0.517 -7.285 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.588 -0.144 -7.283 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.831 -1.165 -8.572 1.00 0.00 C ATOM 0 H LEU A 16 -1.759 2.557 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.243 0.021 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.901 1.437 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.077 1.104 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.916 -1.203 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.194 -1.040 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.842 0.323 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.785 0.556 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.454 -2.052 -8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.034 -0.469 -9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.780 -1.454 -8.595 1.00 0.00 H new ATOM 241 N GLU A 17 -0.011 0.231 -7.608 1.00 0.00 N ATOM 242 CA GLU A 17 1.134 -0.453 -8.100 1.00 0.00 C ATOM 243 C GLU A 17 2.084 -0.823 -6.952 1.00 0.00 C ATOM 244 O GLU A 17 2.865 -1.710 -7.119 1.00 0.00 O ATOM 245 CB GLU A 17 1.881 0.347 -9.171 1.00 0.00 C ATOM 246 CG GLU A 17 1.132 0.504 -10.481 1.00 0.00 C ATOM 247 CD GLU A 17 0.817 -0.824 -11.130 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.767 -1.519 -11.571 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.392 -1.184 -11.237 1.00 0.00 O ATOM 0 H GLU A 17 -0.001 1.238 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 17 0.773 -1.367 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.105 1.338 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.835 -0.140 -9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.204 1.047 -10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.727 1.108 -11.166 1.00 0.00 H new ATOM 256 N PHE A 18 1.987 -0.134 -5.770 1.00 0.00 N ATOM 257 CA PHE A 18 2.885 -0.418 -4.594 1.00 0.00 C ATOM 258 C PHE A 18 2.761 -1.860 -4.249 1.00 0.00 C ATOM 259 O PHE A 18 3.727 -2.593 -4.166 1.00 0.00 O ATOM 260 CB PHE A 18 2.543 0.474 -3.288 1.00 0.00 C ATOM 261 CG PHE A 18 1.748 -0.208 -2.087 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.351 -0.260 -2.058 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.420 -0.787 -1.010 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.335 -0.869 -1.000 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.727 -1.388 0.043 1.00 0.00 C ATOM 266 CZ PHE A 18 0.358 -1.426 0.041 1.00 0.00 C ATOM 0 H PHE A 18 1.309 0.610 -5.605 1.00 0.00 H new ATOM 0 HA PHE A 18 3.901 -0.156 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.484 0.852 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.966 1.338 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.211 0.179 -2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.500 -0.770 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.415 -0.899 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.274 -1.826 0.865 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.173 -1.893 0.857 1.00 0.00 H new ATOM 276 N VAL A 19 1.547 -2.256 -4.141 1.00 0.00 N ATOM 277 CA VAL A 19 1.196 -3.558 -3.693 1.00 0.00 C ATOM 278 C VAL A 19 1.500 -4.620 -4.750 1.00 0.00 C ATOM 279 O VAL A 19 1.974 -5.715 -4.431 1.00 0.00 O ATOM 280 CB VAL A 19 -0.280 -3.573 -3.222 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.229 -3.179 -4.323 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.662 -4.876 -2.560 1.00 0.00 C ATOM 0 H VAL A 19 0.744 -1.669 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 19 1.815 -3.817 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.370 -2.808 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.252 -3.203 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.992 -2.171 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.131 -3.877 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.706 -4.834 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.526 -5.696 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.030 -5.040 -1.687 1.00 0.00 H new ATOM 292 N LYS A 20 1.271 -4.279 -6.002 1.00 0.00 N ATOM 293 CA LYS A 20 1.583 -5.181 -7.087 1.00 0.00 C ATOM 294 C LYS A 20 3.091 -5.348 -7.171 1.00 0.00 C ATOM 295 O LYS A 20 3.609 -6.449 -7.358 1.00 0.00 O ATOM 296 CB LYS A 20 1.083 -4.633 -8.401 1.00 0.00 C ATOM 297 CG LYS A 20 -0.405 -4.479 -8.463 1.00 0.00 C ATOM 298 CD LYS A 20 -0.810 -4.010 -9.815 1.00 0.00 C ATOM 299 CE LYS A 20 -2.290 -3.812 -9.960 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.627 -3.327 -11.316 1.00 0.00 N ATOM 0 H LYS A 20 0.871 -3.386 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 20 1.098 -6.138 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.547 -3.663 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.405 -5.294 -9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.887 -5.430 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.737 -3.767 -7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.302 -3.070 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.473 -4.733 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.807 -4.752 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.640 -3.096 -9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.611 -2.989 -11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.990 -2.547 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.518 -4.103 -11.999 1.00 0.00 H new ATOM 314 N LYS A 21 3.781 -4.230 -6.982 1.00 0.00 N ATOM 315 CA LYS A 21 5.221 -4.149 -7.015 1.00 0.00 C ATOM 316 C LYS A 21 5.796 -5.026 -5.934 1.00 0.00 C ATOM 317 O LYS A 21 6.759 -5.710 -6.149 1.00 0.00 O ATOM 318 CB LYS A 21 5.664 -2.702 -6.807 1.00 0.00 C ATOM 319 CG LYS A 21 7.108 -2.441 -7.119 1.00 0.00 C ATOM 320 CD LYS A 21 7.447 -0.976 -6.950 1.00 0.00 C ATOM 321 CE LYS A 21 8.798 -0.670 -7.555 1.00 0.00 C ATOM 322 NZ LYS A 21 8.801 -0.939 -9.009 1.00 0.00 N ATOM 0 H LYS A 21 3.333 -3.333 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 21 5.582 -4.491 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.048 -2.054 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.473 -2.423 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.739 -3.041 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.324 -2.752 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.682 -0.363 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.450 -0.717 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.053 0.374 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.564 -1.274 -7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.519 -0.345 -9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.021 -1.942 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.865 -0.720 -9.405 1.00 0.00 H new ATOM 336 N ILE A 22 5.170 -5.004 -4.779 1.00 0.00 N ATOM 337 CA ILE A 22 5.560 -5.850 -3.665 1.00 0.00 C ATOM 338 C ILE A 22 5.367 -7.325 -4.007 1.00 0.00 C ATOM 339 O ILE A 22 6.224 -8.151 -3.728 1.00 0.00 O ATOM 340 CB ILE A 22 4.767 -5.495 -2.386 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.124 -4.075 -1.947 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.045 -6.505 -1.269 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.366 -3.569 -0.764 1.00 0.00 C ATOM 0 H ILE A 22 4.373 -4.398 -4.581 1.00 0.00 H new ATOM 0 HA ILE A 22 6.618 -5.670 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 22 3.700 -5.541 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.189 -4.039 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.954 -3.399 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.475 -6.232 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.749 -7.501 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.109 -6.502 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.690 -2.555 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.300 -3.566 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.554 -4.216 0.093 1.00 0.00 H new ATOM 355 N CYS A 23 4.268 -7.638 -4.650 1.00 0.00 N ATOM 356 CA CYS A 23 3.949 -9.013 -5.010 1.00 0.00 C ATOM 357 C CYS A 23 4.972 -9.568 -6.028 1.00 0.00 C ATOM 358 O CYS A 23 5.254 -10.767 -6.056 1.00 0.00 O ATOM 359 CB CYS A 23 2.515 -9.091 -5.558 1.00 0.00 C ATOM 360 SG CYS A 23 1.901 -10.765 -5.876 1.00 0.00 S ATOM 0 H CYS A 23 3.568 -6.956 -4.941 1.00 0.00 H new ATOM 0 HA CYS A 23 4.010 -9.635 -4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.845 -8.604 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.466 -8.521 -6.486 1.00 0.00 H new ATOM 0 HG CYS A 23 0.685 -10.702 -6.332 1.00 0.00 H new ATOM 366 N ARG A 24 5.525 -8.688 -6.844 1.00 0.00 N ATOM 367 CA ARG A 24 6.533 -9.063 -7.828 1.00 0.00 C ATOM 368 C ARG A 24 7.940 -8.734 -7.320 1.00 0.00 C ATOM 369 O ARG A 24 8.914 -8.889 -8.038 1.00 0.00 O ATOM 370 CB ARG A 24 6.286 -8.327 -9.137 1.00 0.00 C ATOM 371 CG ARG A 24 6.465 -6.846 -9.015 1.00 0.00 C ATOM 372 CD ARG A 24 6.063 -6.130 -10.251 1.00 0.00 C ATOM 373 NE ARG A 24 6.912 -6.439 -11.406 1.00 0.00 N ATOM 374 CZ ARG A 24 6.849 -5.809 -12.589 1.00 0.00 C ATOM 375 NH1 ARG A 24 6.016 -4.782 -12.765 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.632 -6.197 -13.591 1.00 0.00 N ATOM 0 H ARG A 24 5.291 -7.695 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 24 6.460 -10.138 -7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.968 -8.709 -9.897 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.274 -8.538 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.875 -6.478 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.509 -6.625 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.031 -6.385 -10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.092 -5.056 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 24 7.599 -7.186 -11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.421 -4.470 -11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.974 -4.308 -13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.280 -6.973 -13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.584 -5.718 -14.490 1.00 0.00 H new ATOM 390 N ALA A 25 8.046 -8.305 -6.075 1.00 0.00 N ATOM 391 CA ALA A 25 9.311 -7.798 -5.527 1.00 0.00 C ATOM 392 C ALA A 25 10.206 -8.889 -4.982 1.00 0.00 C ATOM 393 O ALA A 25 11.132 -8.594 -4.222 1.00 0.00 O ATOM 394 CB ALA A 25 9.054 -6.783 -4.434 1.00 0.00 C ATOM 0 H ALA A 25 7.270 -8.294 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 25 9.830 -7.331 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.005 -6.421 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.487 -5.946 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.485 -7.250 -3.630 1.00 0.00 H new ATOM 400 N GLU A 26 9.977 -10.118 -5.408 1.00 0.00 N ATOM 401 CA GLU A 26 10.750 -11.261 -4.935 1.00 0.00 C ATOM 402 C GLU A 26 12.260 -11.068 -5.158 1.00 0.00 C ATOM 403 O GLU A 26 13.072 -11.502 -4.328 1.00 0.00 O ATOM 404 CB GLU A 26 10.245 -12.547 -5.569 1.00 0.00 C ATOM 405 CG GLU A 26 10.212 -12.525 -7.081 1.00 0.00 C ATOM 406 CD GLU A 26 9.692 -13.804 -7.631 1.00 0.00 C ATOM 407 OE1 GLU A 26 10.474 -14.757 -7.764 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.485 -13.892 -7.913 1.00 0.00 O ATOM 0 H GLU A 26 9.255 -10.355 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 26 10.605 -11.338 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.879 -13.372 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.240 -12.751 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.586 -11.700 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.216 -12.343 -7.466 1.00 0.00 H new ATOM 415 N GLY A 27 12.599 -10.434 -6.294 1.00 0.00 N ATOM 416 CA GLY A 27 13.953 -10.019 -6.633 1.00 0.00 C ATOM 417 C GLY A 27 15.021 -11.035 -6.361 1.00 0.00 C ATOM 418 O GLY A 27 15.252 -11.951 -7.162 1.00 0.00 O ATOM 0 H GLY A 27 11.916 -10.195 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.982 -9.760 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.187 -9.112 -6.076 1.00 0.00 H new ATOM 422 N ALA A 28 15.688 -10.857 -5.251 1.00 0.00 N ATOM 423 CA ALA A 28 16.758 -11.730 -4.848 1.00 0.00 C ATOM 424 C ALA A 28 16.437 -12.423 -3.537 1.00 0.00 C ATOM 425 O ALA A 28 16.539 -13.647 -3.431 1.00 0.00 O ATOM 426 CB ALA A 28 18.051 -10.949 -4.718 1.00 0.00 C ATOM 0 H ALA A 28 15.502 -10.097 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 28 16.876 -12.494 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.853 -11.621 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.302 -10.498 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.929 -10.166 -3.970 1.00 0.00 H new ATOM 432 N THR A 29 16.049 -11.653 -2.545 1.00 0.00 N ATOM 433 CA THR A 29 15.803 -12.175 -1.226 1.00 0.00 C ATOM 434 C THR A 29 14.483 -11.649 -0.664 1.00 0.00 C ATOM 435 O THR A 29 13.873 -10.745 -1.241 1.00 0.00 O ATOM 436 CB THR A 29 16.970 -11.795 -0.282 1.00 0.00 C ATOM 437 OG1 THR A 29 17.217 -10.380 -0.361 1.00 0.00 O ATOM 438 CG2 THR A 29 18.242 -12.547 -0.648 1.00 0.00 C ATOM 0 H THR A 29 15.896 -10.648 -2.633 1.00 0.00 H new ATOM 0 HA THR A 29 15.734 -13.261 -1.296 1.00 0.00 H new ATOM 0 HB THR A 29 16.685 -12.069 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.049 -10.166 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.043 -12.259 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 29 18.066 -13.620 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.528 -12.301 -1.671 1.00 0.00 H new ATOM 446 N GLU A 30 14.078 -12.197 0.462 1.00 0.00 N ATOM 447 CA GLU A 30 12.838 -11.842 1.146 1.00 0.00 C ATOM 448 C GLU A 30 12.904 -10.425 1.701 1.00 0.00 C ATOM 449 O GLU A 30 11.896 -9.704 1.748 1.00 0.00 O ATOM 450 CB GLU A 30 12.610 -12.853 2.264 1.00 0.00 C ATOM 451 CG GLU A 30 11.466 -12.553 3.199 1.00 0.00 C ATOM 452 CD GLU A 30 11.413 -13.534 4.324 1.00 0.00 C ATOM 453 OE1 GLU A 30 12.205 -13.404 5.286 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.592 -14.470 4.275 1.00 0.00 O ATOM 0 H GLU A 30 14.611 -12.921 0.945 1.00 0.00 H new ATOM 0 HA GLU A 30 12.006 -11.869 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.439 -13.831 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.525 -12.928 2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.575 -11.544 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.526 -12.578 2.647 1.00 0.00 H new ATOM 461 N GLU A 31 14.088 -10.009 2.100 1.00 0.00 N ATOM 462 CA GLU A 31 14.264 -8.682 2.624 1.00 0.00 C ATOM 463 C GLU A 31 14.105 -7.662 1.515 1.00 0.00 C ATOM 464 O GLU A 31 13.798 -6.510 1.768 1.00 0.00 O ATOM 465 CB GLU A 31 15.620 -8.495 3.294 1.00 0.00 C ATOM 466 CG GLU A 31 16.803 -8.604 2.361 1.00 0.00 C ATOM 467 CD GLU A 31 18.048 -8.080 2.986 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.243 -6.841 2.975 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.858 -8.876 3.504 1.00 0.00 O ATOM 0 H GLU A 31 14.937 -10.573 2.069 1.00 0.00 H new ATOM 0 HA GLU A 31 13.497 -8.535 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.642 -7.517 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.726 -9.239 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.949 -9.647 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.596 -8.052 1.445 1.00 0.00 H new ATOM 476 N ASP A 32 14.296 -8.108 0.283 1.00 0.00 N ATOM 477 CA ASP A 32 14.195 -7.244 -0.883 1.00 0.00 C ATOM 478 C ASP A 32 12.723 -6.943 -1.140 1.00 0.00 C ATOM 479 O ASP A 32 12.372 -5.864 -1.621 1.00 0.00 O ATOM 480 CB ASP A 32 14.904 -7.896 -2.094 1.00 0.00 C ATOM 481 CG ASP A 32 15.049 -7.002 -3.317 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.252 -5.779 -3.176 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.068 -7.526 -4.454 1.00 0.00 O ATOM 0 H ASP A 32 14.525 -9.077 0.063 1.00 0.00 H new ATOM 0 HA ASP A 32 14.703 -6.295 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.896 -8.222 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.351 -8.790 -2.381 1.00 0.00 H new ATOM 488 N ASP A 33 11.862 -7.890 -0.755 1.00 0.00 N ATOM 489 CA ASP A 33 10.409 -7.674 -0.794 1.00 0.00 C ATOM 490 C ASP A 33 10.064 -6.746 0.339 1.00 0.00 C ATOM 491 O ASP A 33 9.516 -5.651 0.155 1.00 0.00 O ATOM 492 CB ASP A 33 9.587 -8.957 -0.508 1.00 0.00 C ATOM 493 CG ASP A 33 9.849 -10.155 -1.368 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.722 -10.956 -1.015 1.00 0.00 O ATOM 495 OD2 ASP A 33 9.103 -10.393 -2.329 1.00 0.00 O ATOM 0 H ASP A 33 12.142 -8.810 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 33 10.172 -7.304 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.761 -9.243 0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.530 -8.705 -0.596 1.00 0.00 H new ATOM 500 N ASN A 34 10.438 -7.206 1.523 1.00 0.00 N ATOM 501 CA ASN A 34 10.125 -6.582 2.796 1.00 0.00 C ATOM 502 C ASN A 34 10.537 -5.127 2.883 1.00 0.00 C ATOM 503 O ASN A 34 9.774 -4.306 3.382 1.00 0.00 O ATOM 504 CB ASN A 34 10.725 -7.399 3.939 1.00 0.00 C ATOM 505 CG ASN A 34 10.526 -6.794 5.309 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.515 -7.026 5.956 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.505 -6.073 5.785 1.00 0.00 N ATOM 0 H ASN A 34 10.990 -8.058 1.626 1.00 0.00 H new ATOM 0 HA ASN A 34 9.039 -6.577 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.284 -8.396 3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.793 -7.521 3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.441 -5.683 6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.334 -5.900 5.217 1.00 0.00 H new ATOM 514 N LYS A 35 11.712 -4.784 2.378 1.00 0.00 N ATOM 515 CA LYS A 35 12.165 -3.406 2.467 1.00 0.00 C ATOM 516 C LYS A 35 11.310 -2.456 1.629 1.00 0.00 C ATOM 517 O LYS A 35 11.283 -1.257 1.891 1.00 0.00 O ATOM 518 CB LYS A 35 13.668 -3.244 2.205 1.00 0.00 C ATOM 519 CG LYS A 35 14.153 -3.634 0.830 1.00 0.00 C ATOM 520 CD LYS A 35 15.677 -3.507 0.712 1.00 0.00 C ATOM 521 CE LYS A 35 16.483 -4.659 1.360 1.00 0.00 C ATOM 522 NZ LYS A 35 16.417 -4.726 2.846 1.00 0.00 N ATOM 0 H LYS A 35 12.356 -5.424 1.913 1.00 0.00 H new ATOM 0 HA LYS A 35 12.020 -3.112 3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.935 -2.202 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.210 -3.839 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.855 -4.660 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.676 -3.001 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.941 -3.449 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.984 -2.567 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.124 -5.605 0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.527 -4.561 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.264 -5.207 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.372 -3.763 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.568 -5.255 3.132 1.00 0.00 H new ATOM 536 N LEU A 36 10.594 -2.980 0.629 1.00 0.00 N ATOM 537 CA LEU A 36 9.633 -2.138 -0.065 1.00 0.00 C ATOM 538 C LEU A 36 8.416 -1.982 0.820 1.00 0.00 C ATOM 539 O LEU A 36 7.963 -0.878 1.073 1.00 0.00 O ATOM 540 CB LEU A 36 9.209 -2.698 -1.432 1.00 0.00 C ATOM 541 CG LEU A 36 10.296 -2.810 -2.497 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.704 -3.330 -3.789 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.963 -1.464 -2.733 1.00 0.00 C ATOM 0 H LEU A 36 10.660 -3.942 0.297 1.00 0.00 H new ATOM 0 HA LEU A 36 10.112 -1.179 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.783 -3.689 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.412 -2.067 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 36 11.053 -3.510 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.487 -3.407 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.267 -4.314 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.931 -2.645 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.734 -1.569 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.218 -0.742 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.416 -1.115 -1.805 1.00 0.00 H new ATOM 555 N VAL A 37 7.947 -3.107 1.348 1.00 0.00 N ATOM 556 CA VAL A 37 6.759 -3.155 2.213 1.00 0.00 C ATOM 557 C VAL A 37 6.869 -2.147 3.357 1.00 0.00 C ATOM 558 O VAL A 37 5.941 -1.377 3.618 1.00 0.00 O ATOM 559 CB VAL A 37 6.559 -4.565 2.842 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.268 -4.613 3.634 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.578 -5.655 1.789 1.00 0.00 C ATOM 0 H VAL A 37 8.377 -4.019 1.192 1.00 0.00 H new ATOM 0 HA VAL A 37 5.909 -2.913 1.575 1.00 0.00 H new ATOM 0 HB VAL A 37 7.394 -4.747 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.143 -5.606 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.303 -3.871 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.428 -4.397 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.435 -6.625 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.776 -5.482 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.537 -5.643 1.271 1.00 0.00 H new ATOM 571 N ARG A 38 8.022 -2.129 3.985 1.00 0.00 N ATOM 572 CA ARG A 38 8.252 -1.294 5.148 1.00 0.00 C ATOM 573 C ARG A 38 8.205 0.195 4.811 1.00 0.00 C ATOM 574 O ARG A 38 7.696 0.986 5.609 1.00 0.00 O ATOM 575 CB ARG A 38 9.578 -1.641 5.840 1.00 0.00 C ATOM 576 CG ARG A 38 9.715 -3.099 6.266 1.00 0.00 C ATOM 577 CD ARG A 38 8.512 -3.551 7.059 1.00 0.00 C ATOM 578 NE ARG A 38 8.665 -4.879 7.659 1.00 0.00 N ATOM 579 CZ ARG A 38 7.693 -5.546 8.304 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.460 -5.051 8.378 1.00 0.00 N ATOM 581 NH2 ARG A 38 7.961 -6.724 8.851 1.00 0.00 N ATOM 0 H ARG A 38 8.827 -2.690 3.707 1.00 0.00 H new ATOM 0 HA ARG A 38 7.436 -1.503 5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.399 -1.396 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.689 -1.008 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.830 -3.729 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.617 -3.222 6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.316 -2.826 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.639 -3.556 6.406 1.00 0.00 H new ATOM 0 HE ARG A 38 9.576 -5.330 7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.243 -4.155 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.732 -5.568 8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.899 -7.117 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.229 -7.237 9.342 1.00 0.00 H new ATOM 595 N GLU A 39 8.699 0.591 3.631 1.00 0.00 N ATOM 596 CA GLU A 39 8.658 2.005 3.288 1.00 0.00 C ATOM 597 C GLU A 39 7.224 2.402 3.019 1.00 0.00 C ATOM 598 O GLU A 39 6.789 3.492 3.375 1.00 0.00 O ATOM 599 CB GLU A 39 9.561 2.393 2.092 1.00 0.00 C ATOM 600 CG GLU A 39 9.052 1.997 0.709 1.00 0.00 C ATOM 601 CD GLU A 39 9.907 2.558 -0.389 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.796 3.775 -0.688 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.720 1.823 -0.962 1.00 0.00 O ATOM 0 H GLU A 39 9.113 -0.022 2.929 1.00 0.00 H new ATOM 0 HA GLU A 39 9.060 2.552 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.706 3.473 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.540 1.938 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.028 0.910 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.028 2.349 0.586 1.00 0.00 H new ATOM 610 N PHE A 40 6.475 1.485 2.443 1.00 0.00 N ATOM 611 CA PHE A 40 5.099 1.727 2.149 1.00 0.00 C ATOM 612 C PHE A 40 4.266 1.793 3.418 1.00 0.00 C ATOM 613 O PHE A 40 3.385 2.643 3.527 1.00 0.00 O ATOM 614 CB PHE A 40 4.557 0.748 1.112 1.00 0.00 C ATOM 615 CG PHE A 40 5.135 0.974 -0.275 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.849 2.135 -0.973 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.949 0.032 -0.876 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.366 2.351 -2.237 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.471 0.240 -2.140 1.00 0.00 C ATOM 620 CZ PHE A 40 6.179 1.400 -2.821 1.00 0.00 C ATOM 0 H PHE A 40 6.810 0.561 2.171 1.00 0.00 H new ATOM 0 HA PHE A 40 5.022 2.711 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.779 -0.270 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.472 0.839 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.213 2.883 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.181 -0.882 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.134 3.263 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.107 -0.507 -2.592 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.584 1.566 -3.808 1.00 0.00 H new ATOM 630 N GLU A 41 4.561 0.926 4.393 1.00 0.00 N ATOM 631 CA GLU A 41 3.952 1.013 5.722 1.00 0.00 C ATOM 632 C GLU A 41 4.247 2.365 6.361 1.00 0.00 C ATOM 633 O GLU A 41 3.394 2.952 7.017 1.00 0.00 O ATOM 634 CB GLU A 41 4.462 -0.088 6.646 1.00 0.00 C ATOM 635 CG GLU A 41 3.874 -1.463 6.407 1.00 0.00 C ATOM 636 CD GLU A 41 4.441 -2.493 7.338 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.644 -2.757 7.285 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.691 -3.038 8.191 1.00 0.00 O ATOM 0 H GLU A 41 5.220 0.155 4.285 1.00 0.00 H new ATOM 0 HA GLU A 41 2.877 0.893 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.545 -0.152 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.256 0.202 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.792 -1.420 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.064 -1.763 5.377 1.00 0.00 H new ATOM 645 N ARG A 42 5.446 2.864 6.133 1.00 0.00 N ATOM 646 CA ARG A 42 5.868 4.131 6.701 1.00 0.00 C ATOM 647 C ARG A 42 5.087 5.290 6.057 1.00 0.00 C ATOM 648 O ARG A 42 4.729 6.264 6.723 1.00 0.00 O ATOM 649 CB ARG A 42 7.371 4.316 6.486 1.00 0.00 C ATOM 650 CG ARG A 42 8.057 5.175 7.533 1.00 0.00 C ATOM 651 CD ARG A 42 7.955 4.517 8.905 1.00 0.00 C ATOM 652 NE ARG A 42 8.443 3.124 8.876 1.00 0.00 N ATOM 653 CZ ARG A 42 7.896 2.090 9.537 1.00 0.00 C ATOM 654 NH1 ARG A 42 6.812 2.262 10.297 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.432 0.887 9.416 1.00 0.00 N ATOM 0 H ARG A 42 6.151 2.408 5.554 1.00 0.00 H new ATOM 0 HA ARG A 42 5.660 4.130 7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.846 3.335 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.532 4.763 5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.104 5.318 7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.598 6.163 7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.534 5.091 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.918 4.533 9.241 1.00 0.00 H new ATOM 0 HE ARG A 42 9.266 2.930 8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.389 3.187 10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.406 1.469 10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.252 0.751 8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.025 0.095 9.913 1.00 0.00 H new ATOM 669 N LEU A 43 4.828 5.164 4.764 1.00 0.00 N ATOM 670 CA LEU A 43 4.067 6.164 4.018 1.00 0.00 C ATOM 671 C LEU A 43 2.611 6.127 4.425 1.00 0.00 C ATOM 672 O LEU A 43 2.007 7.155 4.725 1.00 0.00 O ATOM 673 CB LEU A 43 4.135 5.890 2.518 1.00 0.00 C ATOM 674 CG LEU A 43 5.516 5.827 1.899 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.401 5.434 0.450 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.226 7.165 2.032 1.00 0.00 C ATOM 0 H LEU A 43 5.136 4.371 4.202 1.00 0.00 H new ATOM 0 HA LEU A 43 4.503 7.138 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.631 4.944 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.567 6.666 2.004 1.00 0.00 H new ATOM 0 HG LEU A 43 6.107 5.078 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.395 5.389 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.925 4.456 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.799 6.172 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.216 7.098 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.647 7.936 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.324 7.421 3.087 1.00 0.00 H new ATOM 688 N THR A 44 2.067 4.934 4.434 1.00 0.00 N ATOM 689 CA THR A 44 0.675 4.713 4.713 1.00 0.00 C ATOM 690 C THR A 44 0.325 5.006 6.140 1.00 0.00 C ATOM 691 O THR A 44 -0.837 5.343 6.431 1.00 0.00 O ATOM 692 CB THR A 44 0.272 3.266 4.406 1.00 0.00 C ATOM 693 OG1 THR A 44 1.154 2.363 5.070 1.00 0.00 O ATOM 694 CG2 THR A 44 0.303 2.990 2.937 1.00 0.00 C ATOM 0 H THR A 44 2.590 4.079 4.244 1.00 0.00 H new ATOM 0 HA THR A 44 0.129 5.401 4.067 1.00 0.00 H new ATOM 0 HB THR A 44 -0.748 3.123 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.016 2.345 4.603 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.012 1.955 2.755 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.391 3.657 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.311 3.156 2.557 1.00 0.00 H new ATOM 702 N GLU A 45 1.319 4.855 7.042 1.00 0.00 N ATOM 703 CA GLU A 45 1.119 4.987 8.453 1.00 0.00 C ATOM 704 C GLU A 45 0.129 3.885 8.864 1.00 0.00 C ATOM 705 O GLU A 45 -0.552 3.950 9.892 1.00 0.00 O ATOM 706 CB GLU A 45 0.627 6.415 8.764 1.00 0.00 C ATOM 707 CG GLU A 45 0.519 6.740 10.217 1.00 0.00 C ATOM 708 CD GLU A 45 0.268 8.201 10.457 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.812 8.705 10.104 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.166 8.887 11.008 1.00 0.00 O ATOM 0 H GLU A 45 2.281 4.637 6.782 1.00 0.00 H new ATOM 0 HA GLU A 45 2.036 4.857 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.307 7.128 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.350 6.556 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.290 6.157 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.438 6.444 10.723 1.00 0.00 H new ATOM 717 N HIS A 46 0.118 2.827 8.058 1.00 0.00 N ATOM 718 CA HIS A 46 -0.822 1.789 8.225 1.00 0.00 C ATOM 719 C HIS A 46 -0.236 0.699 9.129 1.00 0.00 C ATOM 720 O HIS A 46 0.802 0.127 8.835 1.00 0.00 O ATOM 721 CB HIS A 46 -1.312 1.225 6.862 1.00 0.00 C ATOM 722 CG HIS A 46 -2.537 0.385 7.008 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.550 -0.790 7.694 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.822 0.660 6.720 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.808 -1.168 7.847 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.627 -0.332 7.261 1.00 0.00 N ATOM 0 H HIS A 46 0.767 2.691 7.283 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.707 2.197 8.714 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.519 2.051 6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.518 0.631 6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.170 1.514 6.159 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.119 -2.051 8.385 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.644 -0.396 7.212 1.00 0.00 H new ATOM 734 N PRO A 47 -0.957 0.386 10.208 1.00 0.00 N ATOM 735 CA PRO A 47 -0.535 -0.542 11.260 1.00 0.00 C ATOM 736 C PRO A 47 -0.208 -1.905 10.761 1.00 0.00 C ATOM 737 O PRO A 47 0.832 -2.472 11.063 1.00 0.00 O ATOM 738 CB PRO A 47 -1.774 -0.640 12.139 1.00 0.00 C ATOM 739 CG PRO A 47 -2.878 0.004 11.423 1.00 0.00 C ATOM 740 CD PRO A 47 -2.270 0.930 10.479 1.00 0.00 C ATOM 0 HA PRO A 47 0.371 -0.185 11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.012 -1.683 12.351 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.603 -0.151 13.098 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.488 -0.735 10.904 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.535 0.530 12.115 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.861 1.007 9.566 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.202 1.933 10.900 1.00 0.00 H new ATOM 748 N ASP A 48 -1.090 -2.409 9.980 1.00 0.00 N ATOM 749 CA ASP A 48 -1.003 -3.720 9.502 1.00 0.00 C ATOM 750 C ASP A 48 -0.702 -3.666 8.052 1.00 0.00 C ATOM 751 O ASP A 48 -1.087 -4.537 7.303 1.00 0.00 O ATOM 752 CB ASP A 48 -2.310 -4.458 9.754 1.00 0.00 C ATOM 753 CG ASP A 48 -2.582 -4.699 11.210 1.00 0.00 C ATOM 754 OD1 ASP A 48 -1.680 -5.177 11.932 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.698 -4.402 11.670 1.00 0.00 O ATOM 0 H ASP A 48 -1.911 -1.900 9.652 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.211 -4.260 10.022 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.132 -3.883 9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.286 -5.415 9.232 1.00 0.00 H new ATOM 760 N GLY A 49 0.011 -2.611 7.661 1.00 0.00 N ATOM 761 CA GLY A 49 0.413 -2.414 6.237 1.00 0.00 C ATOM 762 C GLY A 49 1.102 -3.592 5.633 1.00 0.00 C ATOM 763 O GLY A 49 0.999 -3.824 4.439 1.00 0.00 O ATOM 0 H GLY A 49 0.328 -1.875 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.475 -2.184 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.072 -1.548 6.172 1.00 0.00 H new ATOM 767 N SER A 50 1.755 -4.348 6.438 1.00 0.00 N ATOM 768 CA SER A 50 2.382 -5.543 5.959 1.00 0.00 C ATOM 769 C SER A 50 1.361 -6.683 5.872 1.00 0.00 C ATOM 770 O SER A 50 1.223 -7.324 4.829 1.00 0.00 O ATOM 771 CB SER A 50 3.596 -5.881 6.814 1.00 0.00 C ATOM 772 OG SER A 50 3.325 -5.649 8.194 1.00 0.00 O ATOM 0 H SER A 50 1.874 -4.168 7.435 1.00 0.00 H new ATOM 0 HA SER A 50 2.752 -5.385 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.873 -6.925 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.447 -5.277 6.500 1.00 0.00 H new ATOM 0 HG SER A 50 3.686 -4.776 8.456 1.00 0.00 H new ATOM 778 N ASP A 51 0.595 -6.870 6.948 1.00 0.00 N ATOM 779 CA ASP A 51 -0.454 -7.911 7.031 1.00 0.00 C ATOM 780 C ASP A 51 -1.475 -7.775 5.921 1.00 0.00 C ATOM 781 O ASP A 51 -1.982 -8.766 5.456 1.00 0.00 O ATOM 782 CB ASP A 51 -1.200 -7.873 8.365 1.00 0.00 C ATOM 783 CG ASP A 51 -0.376 -8.257 9.562 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.576 -7.543 9.898 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.713 -9.252 10.240 1.00 0.00 O ATOM 0 H ASP A 51 0.678 -6.306 7.794 1.00 0.00 H new ATOM 0 HA ASP A 51 0.072 -8.861 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.590 -6.867 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.059 -8.542 8.304 1.00 0.00 H new ATOM 790 N LEU A 52 -1.758 -6.538 5.497 1.00 0.00 N ATOM 791 CA LEU A 52 -2.728 -6.255 4.408 1.00 0.00 C ATOM 792 C LEU A 52 -2.375 -7.012 3.157 1.00 0.00 C ATOM 793 O LEU A 52 -3.235 -7.529 2.457 1.00 0.00 O ATOM 794 CB LEU A 52 -2.725 -4.766 4.033 1.00 0.00 C ATOM 795 CG LEU A 52 -3.132 -3.763 5.091 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.052 -2.381 4.494 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.540 -4.046 5.603 1.00 0.00 C ATOM 0 H LEU A 52 -1.328 -5.701 5.891 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.705 -6.558 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.720 -4.509 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.388 -4.636 3.178 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.457 -3.840 5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.342 -1.644 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.031 -2.184 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.725 -2.314 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.806 -3.310 6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.247 -3.986 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.575 -5.045 6.038 1.00 0.00 H new ATOM 809 N ILE A 53 -1.093 -7.098 2.921 1.00 0.00 N ATOM 810 CA ILE A 53 -0.554 -7.676 1.711 1.00 0.00 C ATOM 811 C ILE A 53 -0.654 -9.176 1.767 1.00 0.00 C ATOM 812 O ILE A 53 -0.848 -9.860 0.758 1.00 0.00 O ATOM 813 CB ILE A 53 0.920 -7.243 1.565 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.982 -5.718 1.497 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.595 -7.886 0.347 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.368 -5.164 1.551 1.00 0.00 C ATOM 0 H ILE A 53 -0.381 -6.765 3.571 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.123 -7.326 0.850 1.00 0.00 H new ATOM 0 HB ILE A 53 1.475 -7.592 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.504 -5.386 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.404 -5.304 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.631 -7.551 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.570 -8.971 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.065 -7.593 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.327 -4.076 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.844 -5.464 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.946 -5.547 0.710 1.00 0.00 H new ATOM 828 N TYR A 54 -0.573 -9.667 2.948 1.00 0.00 N ATOM 829 CA TYR A 54 -0.540 -11.057 3.172 1.00 0.00 C ATOM 830 C TYR A 54 -1.915 -11.651 3.436 1.00 0.00 C ATOM 831 O TYR A 54 -2.262 -12.687 2.867 1.00 0.00 O ATOM 832 CB TYR A 54 0.435 -11.361 4.288 1.00 0.00 C ATOM 833 CG TYR A 54 1.863 -11.022 3.937 1.00 0.00 C ATOM 834 CD1 TYR A 54 2.540 -11.731 2.955 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.529 -9.992 4.576 1.00 0.00 C ATOM 836 CE1 TYR A 54 3.841 -11.417 2.623 1.00 0.00 C ATOM 837 CE2 TYR A 54 3.828 -9.671 4.251 1.00 0.00 C ATOM 838 CZ TYR A 54 4.479 -10.387 3.273 1.00 0.00 C ATOM 839 OH TYR A 54 5.787 -10.074 2.950 1.00 0.00 O ATOM 0 H TYR A 54 -0.527 -9.103 3.797 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.196 -11.538 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.144 -10.803 5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.371 -12.420 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.041 -12.540 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.021 -9.429 5.345 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.356 -11.977 1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.332 -8.863 4.760 1.00 0.00 H new ATOM 0 HH TYR A 54 6.089 -9.321 3.500 1.00 0.00 H new ATOM 849 N TYR A 55 -2.701 -11.006 4.266 1.00 0.00 N ATOM 850 CA TYR A 55 -3.996 -11.534 4.652 1.00 0.00 C ATOM 851 C TYR A 55 -5.082 -10.470 4.541 1.00 0.00 C ATOM 852 O TYR A 55 -5.317 -9.721 5.490 1.00 0.00 O ATOM 853 CB TYR A 55 -3.960 -12.060 6.101 1.00 0.00 C ATOM 854 CG TYR A 55 -2.827 -13.008 6.381 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.907 -14.338 6.021 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.662 -12.559 6.990 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.859 -15.199 6.255 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.612 -13.413 7.230 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.715 -14.729 6.859 1.00 0.00 C ATOM 860 OH TYR A 55 0.337 -15.580 7.081 1.00 0.00 O ATOM 0 H TYR A 55 -2.467 -10.109 4.691 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.227 -12.352 3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.887 -11.212 6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.903 -12.563 6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.805 -14.708 5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.580 -11.522 7.280 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.934 -16.237 5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.287 -13.050 7.707 1.00 0.00 H new ATOM 0 HH TYR A 55 1.067 -15.091 7.514 1.00 0.00 H new ATOM 870 N PRO A 56 -5.703 -10.329 3.365 1.00 0.00 N ATOM 871 CA PRO A 56 -6.849 -9.438 3.182 1.00 0.00 C ATOM 872 C PRO A 56 -8.038 -9.956 4.004 1.00 0.00 C ATOM 873 O PRO A 56 -8.570 -11.024 3.699 1.00 0.00 O ATOM 874 CB PRO A 56 -7.149 -9.532 1.676 1.00 0.00 C ATOM 875 CG PRO A 56 -5.907 -10.095 1.074 1.00 0.00 C ATOM 876 CD PRO A 56 -5.315 -10.986 2.115 1.00 0.00 C ATOM 0 HA PRO A 56 -6.660 -8.414 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.008 -10.174 1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.383 -8.553 1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.132 -10.652 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.212 -9.302 0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.710 -12.000 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.232 -11.059 2.016 1.00 0.00 H new ATOM 884 N ARG A 57 -8.415 -9.172 5.031 1.00 0.00 N ATOM 885 CA ARG A 57 -9.415 -9.500 6.092 1.00 0.00 C ATOM 886 C ARG A 57 -10.370 -10.701 5.874 1.00 0.00 C ATOM 887 O ARG A 57 -9.942 -11.859 5.867 1.00 0.00 O ATOM 888 CB ARG A 57 -10.183 -8.257 6.567 1.00 0.00 C ATOM 889 CG ARG A 57 -9.340 -7.252 7.353 1.00 0.00 C ATOM 890 CD ARG A 57 -10.190 -6.131 7.935 1.00 0.00 C ATOM 891 NE ARG A 57 -10.714 -5.242 6.904 1.00 0.00 N ATOM 892 CZ ARG A 57 -11.977 -4.806 6.797 1.00 0.00 C ATOM 893 NH1 ARG A 57 -12.901 -5.162 7.688 1.00 0.00 N ATOM 894 NH2 ARG A 57 -12.301 -3.991 5.806 1.00 0.00 N ATOM 0 H ARG A 57 -8.016 -8.242 5.160 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.762 -9.870 6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.608 -7.754 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.018 -8.578 7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.818 -7.768 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.578 -6.828 6.700 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.019 -6.561 8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.592 -5.554 8.640 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.055 -4.921 6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.651 -5.774 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.858 -4.822 7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.592 -3.700 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.259 -3.654 5.716 1.00 0.00 H new ATOM 908 N ASP A 58 -11.642 -10.427 5.765 1.00 0.00 N ATOM 909 CA ASP A 58 -12.650 -11.482 5.640 1.00 0.00 C ATOM 910 C ASP A 58 -13.460 -11.366 4.364 1.00 0.00 C ATOM 911 O ASP A 58 -13.498 -12.279 3.549 1.00 0.00 O ATOM 912 CB ASP A 58 -13.566 -11.479 6.863 1.00 0.00 C ATOM 913 CG ASP A 58 -14.687 -12.487 6.776 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.461 -13.681 7.068 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.820 -12.093 6.423 1.00 0.00 O ATOM 0 H ASP A 58 -12.021 -9.480 5.759 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.120 -12.433 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.971 -11.684 7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.992 -10.483 6.986 1.00 0.00 H new ATOM 920 N ASP A 59 -14.112 -10.236 4.194 1.00 0.00 N ATOM 921 CA ASP A 59 -14.966 -10.001 3.012 1.00 0.00 C ATOM 922 C ASP A 59 -14.198 -9.197 1.999 1.00 0.00 C ATOM 923 O ASP A 59 -14.659 -8.933 0.887 1.00 0.00 O ATOM 924 CB ASP A 59 -16.284 -9.280 3.379 1.00 0.00 C ATOM 925 CG ASP A 59 -16.094 -7.856 3.869 1.00 0.00 C ATOM 926 OD1 ASP A 59 -15.698 -7.662 5.028 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.341 -6.907 3.108 1.00 0.00 O ATOM 0 H ASP A 59 -14.078 -9.456 4.850 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.238 -10.970 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.935 -9.269 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.797 -9.853 4.151 1.00 0.00 H new ATOM 932 N ARG A 60 -13.009 -8.843 2.394 1.00 0.00 N ATOM 933 CA ARG A 60 -12.112 -8.110 1.599 1.00 0.00 C ATOM 934 C ARG A 60 -11.479 -9.032 0.579 1.00 0.00 C ATOM 935 O ARG A 60 -11.009 -10.128 0.910 1.00 0.00 O ATOM 936 CB ARG A 60 -11.079 -7.497 2.507 1.00 0.00 C ATOM 937 CG ARG A 60 -9.917 -6.843 1.830 1.00 0.00 C ATOM 938 CD ARG A 60 -10.344 -5.692 0.922 1.00 0.00 C ATOM 939 NE ARG A 60 -10.869 -4.557 1.671 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.664 -3.604 1.202 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.213 -3.704 -0.001 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.907 -2.564 1.956 1.00 0.00 N ATOM 0 H ARG A 60 -12.639 -9.074 3.316 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.623 -7.315 1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.571 -6.756 3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.698 -8.275 3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.224 -6.469 2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.378 -7.585 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.491 -5.367 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.103 -6.046 0.225 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.599 -4.489 2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.026 -4.522 -0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.822 -2.962 -0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.488 -2.498 2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.515 -1.819 1.616 1.00 0.00 H new ATOM 956 N GLU A 61 -11.470 -8.567 -0.618 1.00 0.00 N ATOM 957 CA GLU A 61 -10.979 -9.303 -1.763 1.00 0.00 C ATOM 958 C GLU A 61 -9.462 -9.409 -1.724 1.00 0.00 C ATOM 959 O GLU A 61 -8.770 -8.497 -1.244 1.00 0.00 O ATOM 960 CB GLU A 61 -11.427 -8.605 -3.053 1.00 0.00 C ATOM 961 CG GLU A 61 -11.042 -9.317 -4.334 1.00 0.00 C ATOM 962 CD GLU A 61 -11.637 -10.688 -4.434 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.006 -11.656 -3.960 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.727 -10.828 -5.007 1.00 0.00 O ATOM 0 H GLU A 61 -11.812 -7.635 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.392 -10.312 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.511 -8.492 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.002 -7.601 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.366 -8.721 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.956 -9.391 -4.391 1.00 0.00 H new ATOM 971 N ASP A 62 -8.961 -10.500 -2.235 1.00 0.00 N ATOM 972 CA ASP A 62 -7.546 -10.756 -2.276 1.00 0.00 C ATOM 973 C ASP A 62 -7.018 -10.272 -3.608 1.00 0.00 C ATOM 974 O ASP A 62 -6.864 -11.055 -4.545 1.00 0.00 O ATOM 975 CB ASP A 62 -7.264 -12.265 -2.119 1.00 0.00 C ATOM 976 CG ASP A 62 -5.803 -12.625 -1.870 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.946 -12.483 -2.776 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.500 -13.109 -0.749 1.00 0.00 O ATOM 0 H ASP A 62 -9.529 -11.245 -2.639 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.053 -10.232 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.863 -12.647 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.601 -12.778 -3.020 1.00 0.00 H new ATOM 983 N SER A 63 -6.880 -8.980 -3.749 1.00 0.00 N ATOM 984 CA SER A 63 -6.330 -8.439 -4.946 1.00 0.00 C ATOM 985 C SER A 63 -5.476 -7.252 -4.588 1.00 0.00 C ATOM 986 O SER A 63 -5.689 -6.652 -3.527 1.00 0.00 O ATOM 987 CB SER A 63 -7.465 -8.020 -5.890 1.00 0.00 C ATOM 988 OG SER A 63 -8.319 -7.070 -5.272 1.00 0.00 O ATOM 0 H SER A 63 -7.143 -8.290 -3.046 1.00 0.00 H new ATOM 0 HA SER A 63 -5.718 -9.185 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.046 -7.597 -6.803 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.042 -8.897 -6.181 1.00 0.00 H new ATOM 0 HG SER A 63 -8.586 -6.394 -5.929 1.00 0.00 H new ATOM 994 N PRO A 64 -4.470 -6.906 -5.426 1.00 0.00 N ATOM 995 CA PRO A 64 -3.666 -5.697 -5.240 1.00 0.00 C ATOM 996 C PRO A 64 -4.584 -4.469 -5.062 1.00 0.00 C ATOM 997 O PRO A 64 -4.340 -3.610 -4.229 1.00 0.00 O ATOM 998 CB PRO A 64 -2.867 -5.624 -6.570 1.00 0.00 C ATOM 999 CG PRO A 64 -2.704 -7.044 -6.950 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.000 -7.705 -6.585 1.00 0.00 C ATOM 0 HA PRO A 64 -3.026 -5.714 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.407 -5.063 -7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.904 -5.131 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.498 -7.144 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.868 -7.499 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.713 -7.678 -7.409 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.858 -8.753 -6.321 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.679 -4.460 -5.801 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.646 -3.382 -5.751 1.00 0.00 C ATOM 1010 C GLU A 65 -7.434 -3.412 -4.438 1.00 0.00 C ATOM 1011 O GLU A 65 -7.638 -2.376 -3.799 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.598 -3.479 -6.929 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.901 -3.536 -8.270 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.858 -3.430 -9.402 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.283 -2.305 -9.720 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.208 -4.459 -10.011 1.00 0.00 O ATOM 0 H GLU A 65 -5.922 -5.204 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.104 -2.438 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.217 -4.369 -6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.269 -2.620 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.173 -2.727 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.347 -4.471 -8.351 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.854 -4.607 -4.037 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.600 -4.782 -2.809 1.00 0.00 C ATOM 1025 C GLY A 66 -7.796 -4.386 -1.600 1.00 0.00 C ATOM 1026 O GLY A 66 -8.329 -3.825 -0.647 1.00 0.00 O ATOM 0 H GLY A 66 -7.686 -5.471 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.511 -4.185 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.906 -5.824 -2.716 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.514 -4.665 -1.650 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.604 -4.273 -0.594 1.00 0.00 C ATOM 1032 C ILE A 67 -5.527 -2.758 -0.511 1.00 0.00 C ATOM 1033 O ILE A 67 -5.675 -2.199 0.559 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.201 -4.885 -0.801 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.285 -6.410 -0.690 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.195 -4.322 0.211 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.993 -7.107 -0.996 1.00 0.00 C ATOM 0 H ILE A 67 -6.072 -5.168 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.990 -4.658 0.350 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.848 -4.618 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.601 -6.675 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.054 -6.774 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.217 -4.772 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.124 -3.241 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.529 -4.553 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.128 -8.184 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.685 -6.872 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.225 -6.772 -0.299 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.362 -2.105 -1.658 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.315 -0.634 -1.733 1.00 0.00 C ATOM 1051 C VAL A 68 -6.589 -0.024 -1.160 1.00 0.00 C ATOM 1052 O VAL A 68 -6.559 1.020 -0.491 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.092 -0.161 -3.195 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.198 1.356 -3.327 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.735 -0.593 -3.626 1.00 0.00 C ATOM 0 H VAL A 68 -5.257 -2.570 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.471 -0.292 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.867 -0.603 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.035 1.643 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.190 1.680 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.445 1.830 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.559 -0.270 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.986 -0.147 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.664 -1.679 -3.571 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.686 -0.717 -1.364 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.969 -0.294 -0.878 1.00 0.00 C ATOM 1067 C LYS A 69 -8.969 -0.238 0.650 1.00 0.00 C ATOM 1068 O LYS A 69 -9.589 0.628 1.229 1.00 0.00 O ATOM 1069 CB LYS A 69 -10.018 -1.254 -1.338 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.380 -0.644 -1.381 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.819 -0.393 -2.814 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.934 0.638 -3.525 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.427 0.926 -4.892 1.00 0.00 N ATOM 0 H LYS A 69 -7.707 -1.598 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.181 0.701 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.758 -1.622 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.032 -2.117 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.094 -1.304 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.380 0.295 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.795 -1.331 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.852 -0.046 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.909 1.560 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.911 0.266 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.806 1.627 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.427 0.050 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.395 1.304 -4.840 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.244 -1.155 1.280 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.097 -1.171 2.737 1.00 0.00 C ATOM 1089 C GLU A 70 -7.391 0.075 3.209 1.00 0.00 C ATOM 1090 O GLU A 70 -7.846 0.718 4.146 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.334 -2.403 3.214 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.135 -3.675 3.219 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.189 -3.665 4.296 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.899 -4.078 5.401 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.338 -3.248 4.047 1.00 0.00 O ATOM 0 H GLU A 70 -7.743 -1.905 0.803 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.100 -1.205 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.461 -2.542 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.966 -2.217 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.609 -3.810 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.469 -4.524 3.370 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.287 0.431 2.536 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.556 1.646 2.868 1.00 0.00 C ATOM 1104 C ILE A 71 -6.493 2.841 2.753 1.00 0.00 C ATOM 1105 O ILE A 71 -6.511 3.715 3.626 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.291 1.897 1.959 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.184 0.852 2.155 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.693 3.269 2.223 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.465 -0.529 1.675 1.00 0.00 C ATOM 0 H ILE A 71 -5.889 -0.106 1.765 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.190 1.519 3.887 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.656 1.824 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.287 1.210 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.952 0.800 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.823 3.416 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.436 4.037 2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.391 3.339 3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.603 -1.166 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.337 -0.925 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.661 -0.509 0.603 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.288 2.853 1.689 1.00 0.00 N ATOM 1122 CA LYS A 72 -8.227 3.891 1.460 1.00 0.00 C ATOM 1123 C LYS A 72 -9.274 3.943 2.529 1.00 0.00 C ATOM 1124 O LYS A 72 -9.373 4.920 3.230 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.915 3.711 0.126 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.017 3.821 -1.040 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.783 3.971 -2.350 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.613 5.241 -2.354 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.249 5.493 -3.652 1.00 0.00 N ATOM 0 H LYS A 72 -7.282 2.129 0.970 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.664 4.824 1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.397 2.733 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.704 4.457 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.357 4.678 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.383 2.936 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.082 3.988 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.432 3.108 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.381 5.171 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.977 6.087 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.069 6.120 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.565 5.946 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.565 4.592 -4.065 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.998 2.860 2.696 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.114 2.832 3.603 1.00 0.00 C ATOM 1145 C GLU A 73 -10.709 3.075 5.056 1.00 0.00 C ATOM 1146 O GLU A 73 -11.468 3.655 5.816 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.985 1.579 3.401 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.576 1.514 1.982 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.719 0.531 1.804 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.891 0.904 2.056 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.494 -0.599 1.364 1.00 0.00 O ATOM 0 H GLU A 73 -9.828 1.980 2.208 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.749 3.681 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.386 0.687 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.794 1.577 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.926 2.508 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.780 1.251 1.285 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.521 2.664 5.416 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.980 2.937 6.735 1.00 0.00 C ATOM 1160 C TRP A 74 -8.544 4.428 6.845 1.00 0.00 C ATOM 1161 O TRP A 74 -9.119 5.188 7.631 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.816 1.980 7.014 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.199 2.052 8.384 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.644 1.460 9.523 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.993 2.718 8.730 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.775 1.710 10.554 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.754 2.484 10.090 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.103 3.487 8.011 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.641 2.990 10.743 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.999 4.007 8.634 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.768 3.752 9.996 1.00 0.00 C ATOM 0 H TRP A 74 -8.897 2.131 4.810 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.748 2.770 7.490 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.166 0.961 6.851 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.035 2.170 6.278 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.550 0.878 9.605 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.876 1.372 11.511 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.275 3.679 6.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.465 2.796 11.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.303 4.616 8.075 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.887 4.162 10.468 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.595 4.868 5.991 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.059 6.250 6.055 1.00 0.00 C ATOM 1184 C ARG A 75 -8.114 7.301 5.809 1.00 0.00 C ATOM 1185 O ARG A 75 -8.152 8.327 6.502 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.853 6.463 5.117 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.584 5.809 5.629 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.370 6.099 4.783 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.212 7.527 4.453 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.179 8.313 4.832 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.258 7.878 5.667 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.095 9.537 4.371 1.00 0.00 N ATOM 0 H ARG A 75 -7.185 4.294 5.254 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.709 6.372 7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.090 6.062 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.680 7.532 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.396 6.149 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.735 4.730 5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.480 5.755 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.436 5.525 3.858 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.945 7.959 3.890 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.315 6.931 6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.487 8.488 5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.806 9.891 3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.319 10.136 4.652 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.991 7.040 4.882 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.032 7.975 4.537 1.00 0.00 C ATOM 1208 C ALA A 76 -11.105 8.041 5.637 1.00 0.00 C ATOM 1209 O ALA A 76 -11.814 9.032 5.755 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.633 7.641 3.167 1.00 0.00 C ATOM 0 H ALA A 76 -9.007 6.175 4.342 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.589 8.968 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.416 8.360 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.853 7.688 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.057 6.637 3.191 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.188 6.994 6.468 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.155 6.957 7.563 1.00 0.00 C ATOM 1218 C ALA A 77 -11.581 7.682 8.737 1.00 0.00 C ATOM 1219 O ALA A 77 -12.285 8.335 9.496 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.508 5.531 7.959 1.00 0.00 C ATOM 0 H ALA A 77 -10.597 6.165 6.400 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.074 7.439 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.229 5.548 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.941 5.012 7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.607 5.009 8.282 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.275 7.549 8.874 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.524 8.163 9.934 1.00 0.00 C ATOM 1228 C ASN A 78 -9.501 9.666 9.787 1.00 0.00 C ATOM 1229 O ASN A 78 -9.394 10.393 10.771 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.077 7.695 9.910 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.813 6.224 10.175 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.823 5.705 9.686 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.616 5.569 10.972 1.00 0.00 N ATOM 0 H ASN A 78 -9.702 6.998 8.234 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.011 7.878 10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.660 7.941 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.523 8.275 10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.423 4.594 11.202 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.435 6.033 11.364 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.582 10.120 8.561 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.472 11.527 8.298 1.00 0.00 C ATOM 1242 C GLY A 79 -8.055 11.877 7.926 1.00 0.00 C ATOM 1243 O GLY A 79 -7.593 12.998 8.148 1.00 0.00 O ATOM 0 H GLY A 79 -9.723 9.537 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.148 11.807 7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.775 12.094 9.178 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.353 10.897 7.384 1.00 0.00 N ATOM 1248 CA LYS A 80 -6.003 11.057 6.952 1.00 0.00 C ATOM 1249 C LYS A 80 -5.963 11.521 5.515 1.00 0.00 C ATOM 1250 O LYS A 80 -7.007 11.756 4.887 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.263 9.742 7.078 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.952 9.322 8.505 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.242 7.991 8.514 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.756 7.576 9.903 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.844 7.396 10.873 1.00 0.00 N ATOM 0 H LYS A 80 -7.724 9.958 7.236 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.523 11.807 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.857 8.960 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.328 9.812 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.331 10.077 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.875 9.254 9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.915 7.225 8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.389 8.037 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.195 6.645 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.066 8.331 10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.443 7.249 11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.447 8.243 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.414 6.568 10.606 1.00 0.00 H new ATOM 1269 N SER A 81 -4.783 11.635 5.003 1.00 0.00 N ATOM 1270 CA SER A 81 -4.555 12.059 3.665 1.00 0.00 C ATOM 1271 C SER A 81 -4.736 10.870 2.717 1.00 0.00 C ATOM 1272 O SER A 81 -4.743 9.697 3.162 1.00 0.00 O ATOM 1273 CB SER A 81 -3.140 12.587 3.600 1.00 0.00 C ATOM 1274 OG SER A 81 -2.874 13.272 2.390 1.00 0.00 O ATOM 0 H SER A 81 -3.928 11.430 5.520 1.00 0.00 H new ATOM 0 HA SER A 81 -5.259 12.836 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.967 13.259 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.441 11.758 3.706 1.00 0.00 H new ATOM 0 HG SER A 81 -1.949 13.596 2.394 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.814 11.154 1.451 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.047 10.134 0.473 1.00 0.00 C ATOM 1282 C GLY A 82 -3.922 10.066 -0.517 1.00 0.00 C ATOM 1283 O GLY A 82 -2.752 10.144 -0.138 1.00 0.00 O ATOM 0 H GLY A 82 -4.718 12.095 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.158 9.170 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.983 10.334 -0.049 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.262 9.952 -1.774 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.308 9.846 -2.823 1.00 0.00 C ATOM 1289 C PHE A 83 -3.370 11.089 -3.689 1.00 0.00 C ATOM 1290 O PHE A 83 -4.179 11.995 -3.437 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.669 8.645 -3.686 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.913 7.391 -2.916 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.907 6.807 -2.181 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.165 6.810 -2.911 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -3.145 5.664 -1.457 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.408 5.670 -2.190 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.393 5.092 -1.458 1.00 0.00 C ATOM 0 H PHE A 83 -5.230 9.931 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.309 9.735 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.562 8.883 -4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.864 8.469 -4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.922 7.251 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.963 7.260 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.347 5.214 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.392 5.226 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.579 4.194 -0.888 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.531 11.133 -4.680 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.560 12.170 -5.672 1.00 0.00 C ATOM 1309 C LYS A 84 -3.620 11.775 -6.678 1.00 0.00 C ATOM 1310 O LYS A 84 -3.739 10.602 -7.035 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.182 12.291 -6.331 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.041 13.374 -7.392 1.00 0.00 C ATOM 1313 CD LYS A 84 0.344 13.347 -8.046 1.00 0.00 C ATOM 1314 CE LYS A 84 1.456 13.590 -7.035 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.811 13.514 -7.639 1.00 0.00 N ATOM 0 H LYS A 84 -1.796 10.441 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.796 13.142 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.444 12.476 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.933 11.332 -6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.807 13.238 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.211 14.351 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.498 12.382 -8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.391 14.106 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.320 14.572 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.379 12.855 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.527 13.704 -6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.962 12.564 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.893 14.221 -8.397 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.375 12.722 -7.126 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.519 12.430 -7.963 1.00 0.00 C ATOM 1331 C GLN A 85 -5.502 13.247 -9.234 1.00 0.00 C ATOM 1332 O GLN A 85 -6.519 13.427 -9.898 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.782 12.636 -7.136 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.897 14.020 -6.518 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.875 14.045 -5.374 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -9.068 14.280 -5.557 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.375 13.808 -4.186 1.00 0.00 N ATOM 0 H GLN A 85 -4.230 13.713 -6.932 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.487 11.392 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.651 12.459 -7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.809 11.891 -6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.917 14.342 -6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.212 14.733 -7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.378 13.618 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.982 13.814 -3.367 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.340 13.684 -9.579 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.140 14.439 -10.767 1.00 0.00 C ATOM 1348 C GLY A 86 -2.810 15.100 -10.715 1.00 0.00 C ATOM 1349 O GLY A 86 -2.174 15.275 -11.762 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.355 15.420 -9.605 1.00 0.00 O ATOM 0 H GLY A 86 -3.491 13.525 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.201 13.788 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.926 15.187 -10.872 1.00 0.00 H new