USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 783 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 46 SER OG : rot -177:sc= -2.01 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.52 K(o=-3.5,f=-6.7!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -8.03! C(o=-8!,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-5.1!) USER MOD Single : A 13 MET CE :methyl 158:sc= -1.85 (180deg=-2.46!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.000973 X(o=-0.00097,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.27! C(o=-2.3!,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 88:sc= -1.13! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.36) USER MOD Single : A 49 SER OG : rot -150:sc= 0.463 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -21:sc= 2.13 USER MOD Single : A 63 THR OG1 : rot 130:sc= -0.0125 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -163:sc= -6.19! (180deg=-7.37!) USER MOD Single : A 69 CYS SG : rot -60:sc= -0.766 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 154:sc= 1.47 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc=-0.00329 USER MOD Single : A 86 THR OG1 : rot -1:sc= 1.45 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -0.627 F(o=-2.9,f=-0.63) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 90:sc= -1.72 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.649 USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 0.190 7.526 -8.179 1.00 0.00 N ATOM 67 CA TRP A 8 -0.647 6.685 -7.340 1.00 0.00 C ATOM 68 C TRP A 8 -0.896 7.427 -6.025 1.00 0.00 C ATOM 69 O TRP A 8 -1.871 7.152 -5.328 1.00 0.00 O ATOM 70 CB TRP A 8 -0.012 5.308 -7.138 1.00 0.00 C ATOM 71 CG TRP A 8 1.438 5.215 -7.618 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.920 4.521 -8.658 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.582 5.869 -7.029 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.285 4.679 -8.783 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.700 5.525 -7.761 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.668 6.723 -5.916 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.986 5.989 -7.459 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.960 7.179 -5.628 1.00 0.00 C ATOM 79 CH2 TRP A 8 5.097 6.842 -6.354 1.00 0.00 C ATOM 0 HA TRP A 8 -1.607 6.496 -7.820 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.050 5.053 -6.079 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.607 4.564 -7.667 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.316 3.914 -9.316 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.880 4.254 -9.494 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.806 7.005 -5.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.846 5.704 -8.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 4.082 7.839 -4.782 1.00 0.00 H new ATOM 0 HH2 TRP A 8 6.061 7.236 -6.067 1.00 0.00 H new ATOM 90 N TYR A 9 0.003 8.353 -5.726 1.00 0.00 N ATOM 91 CA TYR A 9 -0.107 9.137 -4.508 1.00 0.00 C ATOM 92 C TYR A 9 -1.447 9.873 -4.448 1.00 0.00 C ATOM 93 O TYR A 9 -1.609 10.926 -5.064 1.00 0.00 O ATOM 94 CB TYR A 9 1.024 10.166 -4.564 1.00 0.00 C ATOM 95 CG TYR A 9 1.157 11.014 -3.298 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.653 10.452 -2.139 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.781 12.342 -3.315 1.00 0.00 C ATOM 98 CE1 TYR A 9 1.779 11.250 -0.948 1.00 0.00 C ATOM 99 CE2 TYR A 9 0.906 13.141 -2.123 1.00 0.00 C ATOM 100 CZ TYR A 9 1.399 12.555 -0.998 1.00 0.00 C ATOM 101 OH TYR A 9 1.517 13.310 0.127 1.00 0.00 O ATOM 0 H TYR A 9 0.811 8.578 -6.306 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.043 8.493 -3.631 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.966 9.646 -4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.859 10.826 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.947 9.413 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.393 12.782 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.167 10.822 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.615 14.181 -2.122 1.00 0.00 H new ATOM 0 HH TYR A 9 1.209 14.222 -0.057 1.00 0.00 H new ATOM 111 N HIS A 10 -2.374 9.290 -3.701 1.00 0.00 N ATOM 112 CA HIS A 10 -3.694 9.877 -3.553 1.00 0.00 C ATOM 113 C HIS A 10 -3.607 11.121 -2.667 1.00 0.00 C ATOM 114 O HIS A 10 -4.495 11.971 -2.694 1.00 0.00 O ATOM 115 CB HIS A 10 -4.693 8.844 -3.028 1.00 0.00 C ATOM 116 CG HIS A 10 -5.059 7.777 -4.033 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.138 7.895 -4.891 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.477 6.575 -4.308 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.195 6.805 -5.643 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.165 5.988 -5.280 1.00 0.00 N ATOM 0 H HIS A 10 -2.236 8.417 -3.192 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.066 10.193 -4.528 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.274 8.366 -2.142 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.601 9.359 -2.713 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.780 8.686 -4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.604 6.169 -3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.928 6.600 -6.409 1.00 0.00 H new ATOM 128 N GLY A 11 -2.527 11.188 -1.901 1.00 0.00 N ATOM 129 CA GLY A 11 -2.312 12.313 -1.008 1.00 0.00 C ATOM 130 C GLY A 11 -2.544 11.908 0.449 1.00 0.00 C ATOM 131 O GLY A 11 -1.937 10.956 0.937 1.00 0.00 O ATOM 0 H GLY A 11 -1.792 10.481 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.295 12.688 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.986 13.127 -1.275 1.00 0.00 H new ATOM 135 N HIS A 12 -3.424 12.652 1.104 1.00 0.00 N ATOM 136 CA HIS A 12 -3.744 12.383 2.495 1.00 0.00 C ATOM 137 C HIS A 12 -5.039 11.573 2.577 1.00 0.00 C ATOM 138 O HIS A 12 -6.123 12.141 2.708 1.00 0.00 O ATOM 139 CB HIS A 12 -3.805 13.682 3.300 1.00 0.00 C ATOM 140 CG HIS A 12 -2.550 14.518 3.214 1.00 0.00 C ATOM 141 ND1 HIS A 12 -1.920 14.803 2.015 1.00 0.00 N ATOM 142 CD2 HIS A 12 -1.815 15.126 4.189 1.00 0.00 C ATOM 143 CE1 HIS A 12 -0.855 15.550 2.270 1.00 0.00 C ATOM 144 NE2 HIS A 12 -0.792 15.748 3.617 1.00 0.00 N ATOM 0 H HIS A 12 -3.925 13.441 0.696 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.952 11.783 2.944 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.649 14.275 2.949 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.998 13.441 4.345 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.029 15.105 5.247 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.159 15.934 1.539 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.076 16.286 4.105 1.00 0.00 H new ATOM 152 N MET A 13 -4.885 10.260 2.496 1.00 0.00 N ATOM 153 CA MET A 13 -6.029 9.367 2.559 1.00 0.00 C ATOM 154 C MET A 13 -6.102 8.664 3.916 1.00 0.00 C ATOM 155 O MET A 13 -5.079 8.446 4.562 1.00 0.00 O ATOM 156 CB MET A 13 -5.923 8.321 1.447 1.00 0.00 C ATOM 157 CG MET A 13 -7.267 7.627 1.216 1.00 0.00 C ATOM 158 SD MET A 13 -8.299 8.631 0.161 1.00 0.00 S ATOM 159 CE MET A 13 -7.984 7.852 -1.414 1.00 0.00 C ATOM 0 H MET A 13 -3.985 9.793 2.387 1.00 0.00 H new ATOM 0 HA MET A 13 -6.935 9.959 2.428 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.593 8.798 0.524 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.168 7.580 1.710 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.107 6.650 0.759 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.766 7.455 2.170 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.804 8.071 -2.098 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.052 8.235 -1.830 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.904 6.774 -1.277 1.00 0.00 H new ATOM 169 N SER A 14 -7.323 8.328 4.307 1.00 0.00 N ATOM 170 CA SER A 14 -7.543 7.654 5.576 1.00 0.00 C ATOM 171 C SER A 14 -7.424 6.140 5.391 1.00 0.00 C ATOM 172 O SER A 14 -7.902 5.592 4.399 1.00 0.00 O ATOM 173 CB SER A 14 -8.911 8.012 6.160 1.00 0.00 C ATOM 174 OG SER A 14 -9.329 7.078 7.151 1.00 0.00 O ATOM 0 H SER A 14 -8.170 8.510 3.768 1.00 0.00 H new ATOM 0 HA SER A 14 -6.780 7.989 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.869 9.010 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.650 8.046 5.359 1.00 0.00 H new ATOM 0 HG SER A 14 -10.206 7.342 7.501 1.00 0.00 H new ATOM 180 N GLY A 15 -6.783 5.506 6.363 1.00 0.00 N ATOM 181 CA GLY A 15 -6.595 4.066 6.320 1.00 0.00 C ATOM 182 C GLY A 15 -7.916 3.349 6.034 1.00 0.00 C ATOM 183 O GLY A 15 -8.064 2.702 4.998 1.00 0.00 O ATOM 0 H GLY A 15 -6.388 5.964 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.866 3.814 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.188 3.720 7.270 1.00 0.00 H new ATOM 187 N GLY A 16 -8.844 3.489 6.970 1.00 0.00 N ATOM 188 CA GLY A 16 -10.148 2.863 6.831 1.00 0.00 C ATOM 189 C GLY A 16 -10.723 3.099 5.433 1.00 0.00 C ATOM 190 O GLY A 16 -11.470 2.269 4.917 1.00 0.00 O ATOM 0 H GLY A 16 -8.718 4.027 7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.063 1.792 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.830 3.264 7.581 1.00 0.00 H new ATOM 194 N GLN A 17 -10.354 4.236 4.860 1.00 0.00 N ATOM 195 CA GLN A 17 -10.825 4.592 3.533 1.00 0.00 C ATOM 196 C GLN A 17 -10.144 3.719 2.476 1.00 0.00 C ATOM 197 O GLN A 17 -10.803 2.938 1.792 1.00 0.00 O ATOM 198 CB GLN A 17 -10.593 6.077 3.249 1.00 0.00 C ATOM 199 CG GLN A 17 -11.889 6.759 2.806 1.00 0.00 C ATOM 200 CD GLN A 17 -11.840 8.263 3.083 1.00 0.00 C ATOM 201 OE1 GLN A 17 -12.027 8.722 4.198 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.578 9.003 2.009 1.00 0.00 N ATOM 0 H GLN A 17 -9.734 4.922 5.291 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.899 4.411 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.208 6.566 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.835 6.189 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.049 6.587 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.735 6.316 3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.431 8.555 1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.524 10.018 2.090 1.00 0.00 H new ATOM 211 N ALA A 18 -8.832 3.882 2.377 1.00 0.00 N ATOM 212 CA ALA A 18 -8.055 3.119 1.415 1.00 0.00 C ATOM 213 C ALA A 18 -8.607 1.694 1.336 1.00 0.00 C ATOM 214 O ALA A 18 -8.777 1.150 0.245 1.00 0.00 O ATOM 215 CB ALA A 18 -6.578 3.150 1.813 1.00 0.00 C ATOM 0 H ALA A 18 -8.289 4.531 2.947 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.135 3.560 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.995 2.578 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.227 4.182 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.459 2.713 2.804 1.00 0.00 H new ATOM 221 N GLU A 19 -8.871 1.130 2.505 1.00 0.00 N ATOM 222 CA GLU A 19 -9.400 -0.222 2.581 1.00 0.00 C ATOM 223 C GLU A 19 -10.696 -0.331 1.774 1.00 0.00 C ATOM 224 O GLU A 19 -10.840 -1.226 0.944 1.00 0.00 O ATOM 225 CB GLU A 19 -9.623 -0.642 4.035 1.00 0.00 C ATOM 226 CG GLU A 19 -8.447 -1.474 4.551 1.00 0.00 C ATOM 227 CD GLU A 19 -8.940 -2.700 5.322 1.00 0.00 C ATOM 228 OE1 GLU A 19 -9.501 -3.599 4.660 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.744 -2.711 6.557 1.00 0.00 O ATOM 0 H GLU A 19 -8.729 1.584 3.407 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.667 -0.903 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.748 0.244 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.544 -1.220 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.826 -1.792 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.819 -0.861 5.198 1.00 0.00 H new ATOM 236 N THR A 20 -11.605 0.594 2.047 1.00 0.00 N ATOM 237 CA THR A 20 -12.883 0.613 1.357 1.00 0.00 C ATOM 238 C THR A 20 -12.687 0.959 -0.120 1.00 0.00 C ATOM 239 O THR A 20 -13.331 0.374 -0.990 1.00 0.00 O ATOM 240 CB THR A 20 -13.803 1.589 2.093 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.584 0.755 2.945 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.831 2.239 1.164 1.00 0.00 C ATOM 0 H THR A 20 -11.481 1.335 2.737 1.00 0.00 H new ATOM 0 HA THR A 20 -13.353 -0.370 1.368 1.00 0.00 H new ATOM 0 HB THR A 20 -13.203 2.364 2.569 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.208 1.307 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.458 2.922 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.314 2.792 0.380 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.454 1.466 0.713 1.00 0.00 H new ATOM 250 N LEU A 21 -11.794 1.908 -0.359 1.00 0.00 N ATOM 251 CA LEU A 21 -11.504 2.339 -1.716 1.00 0.00 C ATOM 252 C LEU A 21 -11.002 1.145 -2.530 1.00 0.00 C ATOM 253 O LEU A 21 -11.584 0.802 -3.558 1.00 0.00 O ATOM 254 CB LEU A 21 -10.539 3.527 -1.707 1.00 0.00 C ATOM 255 CG LEU A 21 -11.133 4.871 -1.281 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.749 5.208 0.161 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.732 5.980 -2.255 1.00 0.00 C ATOM 0 H LEU A 21 -11.261 2.391 0.365 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.411 2.698 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.710 3.291 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.121 3.638 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.220 4.790 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.184 6.168 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.125 4.433 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.664 5.264 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.167 6.925 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.646 6.069 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.097 5.737 -3.253 1.00 0.00 H new ATOM 269 N LEU A 22 -9.928 0.545 -2.039 1.00 0.00 N ATOM 270 CA LEU A 22 -9.341 -0.604 -2.708 1.00 0.00 C ATOM 271 C LEU A 22 -10.420 -1.666 -2.929 1.00 0.00 C ATOM 272 O LEU A 22 -10.492 -2.269 -3.999 1.00 0.00 O ATOM 273 CB LEU A 22 -8.127 -1.114 -1.930 1.00 0.00 C ATOM 274 CG LEU A 22 -6.843 -0.295 -2.078 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.873 -0.584 -0.931 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.198 -0.529 -3.446 1.00 0.00 C ATOM 0 H LEU A 22 -9.449 0.833 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.965 -0.321 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.389 -1.154 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.921 -2.136 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.104 0.762 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.969 0.011 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.344 -0.326 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.614 -1.643 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.287 0.065 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.953 -1.585 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.893 -0.233 -4.232 1.00 0.00 H new ATOM 288 N GLN A 23 -11.233 -1.861 -1.901 1.00 0.00 N ATOM 289 CA GLN A 23 -12.305 -2.840 -1.970 1.00 0.00 C ATOM 290 C GLN A 23 -13.378 -2.382 -2.960 1.00 0.00 C ATOM 291 O GLN A 23 -13.983 -3.203 -3.648 1.00 0.00 O ATOM 292 CB GLN A 23 -12.907 -3.092 -0.586 1.00 0.00 C ATOM 293 CG GLN A 23 -11.966 -3.936 0.275 1.00 0.00 C ATOM 294 CD GLN A 23 -12.527 -4.113 1.688 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.287 -3.301 2.188 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.112 -5.219 2.300 1.00 0.00 N ATOM 0 H GLN A 23 -11.171 -1.358 -1.016 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.889 -3.782 -2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.103 -2.140 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.866 -3.601 -0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.821 -4.912 -0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.987 -3.459 0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.475 -5.857 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.431 -5.429 3.246 1.00 0.00 H new ATOM 305 N ALA A 24 -13.581 -1.074 -3.001 1.00 0.00 N ATOM 306 CA ALA A 24 -14.571 -0.498 -3.895 1.00 0.00 C ATOM 307 C ALA A 24 -14.210 -0.847 -5.341 1.00 0.00 C ATOM 308 O ALA A 24 -15.091 -0.987 -6.187 1.00 0.00 O ATOM 309 CB ALA A 24 -14.651 1.013 -3.663 1.00 0.00 C ATOM 0 H ALA A 24 -13.077 -0.396 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.559 -0.912 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.394 1.445 -4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.938 1.208 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.678 1.463 -3.860 1.00 0.00 H new ATOM 315 N LYS A 25 -12.913 -0.977 -5.578 1.00 0.00 N ATOM 316 CA LYS A 25 -12.426 -1.307 -6.907 1.00 0.00 C ATOM 317 C LYS A 25 -12.492 -2.822 -7.108 1.00 0.00 C ATOM 318 O LYS A 25 -13.085 -3.298 -8.075 1.00 0.00 O ATOM 319 CB LYS A 25 -11.031 -0.718 -7.127 1.00 0.00 C ATOM 320 CG LYS A 25 -10.828 -0.321 -8.590 1.00 0.00 C ATOM 321 CD LYS A 25 -10.766 1.200 -8.742 1.00 0.00 C ATOM 322 CE LYS A 25 -11.078 1.621 -10.179 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.224 2.558 -10.208 1.00 0.00 N ATOM 0 H LYS A 25 -12.185 -0.860 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.062 -0.856 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.896 0.154 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.275 -1.447 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.907 -0.765 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.644 -0.718 -9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.477 1.666 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.775 1.557 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.203 2.094 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.305 0.741 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.422 2.834 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.062 2.094 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.994 3.405 -9.651 1.00 0.00 H new ATOM 337 N GLY A 26 -11.876 -3.538 -6.179 1.00 0.00 N ATOM 338 CA GLY A 26 -11.858 -4.990 -6.242 1.00 0.00 C ATOM 339 C GLY A 26 -10.598 -5.492 -6.950 1.00 0.00 C ATOM 340 O GLY A 26 -10.166 -6.622 -6.729 1.00 0.00 O ATOM 0 H GLY A 26 -11.385 -3.140 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.902 -5.402 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.743 -5.346 -6.770 1.00 0.00 H new ATOM 344 N GLU A 27 -10.044 -4.628 -7.788 1.00 0.00 N ATOM 345 CA GLU A 27 -8.843 -4.969 -8.530 1.00 0.00 C ATOM 346 C GLU A 27 -7.824 -5.644 -7.609 1.00 0.00 C ATOM 347 O GLU A 27 -7.313 -5.020 -6.680 1.00 0.00 O ATOM 348 CB GLU A 27 -8.242 -3.732 -9.200 1.00 0.00 C ATOM 349 CG GLU A 27 -8.961 -3.416 -10.513 1.00 0.00 C ATOM 350 CD GLU A 27 -8.913 -1.917 -10.817 1.00 0.00 C ATOM 351 OE1 GLU A 27 -8.103 -1.230 -10.159 1.00 0.00 O ATOM 352 OE2 GLU A 27 -9.688 -1.493 -11.702 1.00 0.00 O ATOM 0 H GLU A 27 -10.405 -3.692 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.114 -5.672 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.315 -2.878 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.182 -3.897 -9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.497 -3.971 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.998 -3.745 -10.452 1.00 0.00 H new ATOM 359 N PRO A 28 -7.551 -6.942 -7.906 1.00 0.00 N ATOM 360 CA PRO A 28 -6.602 -7.708 -7.116 1.00 0.00 C ATOM 361 C PRO A 28 -5.163 -7.296 -7.436 1.00 0.00 C ATOM 362 O PRO A 28 -4.791 -7.182 -8.603 1.00 0.00 O ATOM 363 CB PRO A 28 -6.892 -9.161 -7.452 1.00 0.00 C ATOM 364 CG PRO A 28 -7.670 -9.140 -8.757 1.00 0.00 C ATOM 365 CD PRO A 28 -8.136 -7.713 -8.999 1.00 0.00 C ATOM 0 HA PRO A 28 -6.708 -7.532 -6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.968 -9.729 -7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.470 -9.637 -6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.043 -9.482 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.523 -9.816 -8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.799 -7.345 -9.968 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.224 -7.645 -8.994 1.00 0.00 H new ATOM 373 N TRP A 29 -4.393 -7.084 -6.379 1.00 0.00 N ATOM 374 CA TRP A 29 -3.004 -6.687 -6.532 1.00 0.00 C ATOM 375 C TRP A 29 -2.975 -5.206 -6.915 1.00 0.00 C ATOM 376 O TRP A 29 -2.247 -4.811 -7.825 1.00 0.00 O ATOM 377 CB TRP A 29 -2.288 -7.581 -7.546 1.00 0.00 C ATOM 378 CG TRP A 29 -2.438 -9.078 -7.272 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.823 -10.039 -8.123 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.189 -9.752 -6.020 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.840 -11.277 -7.514 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.443 -11.097 -6.195 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.764 -9.242 -4.781 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.300 -12.044 -5.173 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.627 -10.200 -3.769 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.878 -11.558 -3.929 1.00 0.00 C ATOM 0 H TRP A 29 -4.705 -7.180 -5.413 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.460 -6.815 -5.596 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.674 -7.364 -8.542 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.228 -7.328 -7.553 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.087 -9.866 -9.156 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.097 -12.162 -7.952 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.559 -8.194 -4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.504 -13.092 -5.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.304 -9.860 -2.796 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.748 -12.235 -3.098 1.00 0.00 H new ATOM 397 N THR A 30 -3.775 -4.427 -6.202 1.00 0.00 N ATOM 398 CA THR A 30 -3.850 -2.999 -6.456 1.00 0.00 C ATOM 399 C THR A 30 -3.273 -2.216 -5.275 1.00 0.00 C ATOM 400 O THR A 30 -3.776 -2.313 -4.156 1.00 0.00 O ATOM 401 CB THR A 30 -5.308 -2.649 -6.763 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.636 -3.473 -7.878 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.469 -1.222 -7.293 1.00 0.00 C ATOM 0 H THR A 30 -4.377 -4.758 -5.448 1.00 0.00 H new ATOM 0 HA THR A 30 -3.245 -2.719 -7.318 1.00 0.00 H new ATOM 0 HB THR A 30 -5.908 -2.771 -5.861 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.958 -4.342 -7.559 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.522 -1.025 -7.495 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.104 -0.514 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.896 -1.109 -8.213 1.00 0.00 H new ATOM 411 N PHE A 31 -2.225 -1.458 -5.564 1.00 0.00 N ATOM 412 CA PHE A 31 -1.574 -0.660 -4.539 1.00 0.00 C ATOM 413 C PHE A 31 -1.884 0.827 -4.724 1.00 0.00 C ATOM 414 O PHE A 31 -2.398 1.233 -5.765 1.00 0.00 O ATOM 415 CB PHE A 31 -0.067 -0.877 -4.693 1.00 0.00 C ATOM 416 CG PHE A 31 0.580 -0.006 -5.771 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.449 -0.338 -7.083 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.288 1.100 -5.417 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.050 0.470 -8.084 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.889 1.908 -6.418 1.00 0.00 C ATOM 421 CZ PHE A 31 1.758 1.576 -7.730 1.00 0.00 C ATOM 0 H PHE A 31 -1.811 -1.380 -6.493 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.929 -0.959 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.418 -0.675 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.117 -1.925 -4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.112 -1.217 -7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.393 1.364 -4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.945 0.206 -9.126 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.450 2.787 -6.137 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.216 2.190 -8.491 1.00 0.00 H new ATOM 431 N LEU A 32 -1.558 1.599 -3.697 1.00 0.00 N ATOM 432 CA LEU A 32 -1.795 3.032 -3.733 1.00 0.00 C ATOM 433 C LEU A 32 -0.988 3.706 -2.622 1.00 0.00 C ATOM 434 O LEU A 32 -0.897 3.183 -1.512 1.00 0.00 O ATOM 435 CB LEU A 32 -3.295 3.329 -3.672 1.00 0.00 C ATOM 436 CG LEU A 32 -3.896 3.458 -2.270 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.442 4.754 -1.597 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.420 3.338 -2.315 1.00 0.00 C ATOM 0 H LEU A 32 -1.132 1.259 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.449 3.452 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.484 4.256 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.824 2.537 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.526 2.633 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.883 4.821 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.355 4.759 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.764 5.607 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.822 3.433 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.829 4.128 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.697 2.367 -2.726 1.00 0.00 H new ATOM 450 N VAL A 33 -0.424 4.856 -2.958 1.00 0.00 N ATOM 451 CA VAL A 33 0.372 5.607 -2.002 1.00 0.00 C ATOM 452 C VAL A 33 -0.499 6.688 -1.357 1.00 0.00 C ATOM 453 O VAL A 33 -1.157 7.458 -2.055 1.00 0.00 O ATOM 454 CB VAL A 33 1.617 6.173 -2.688 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.625 6.686 -1.658 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.256 5.133 -3.610 1.00 0.00 C ATOM 0 H VAL A 33 -0.502 5.287 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 33 0.725 4.955 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 33 1.306 7.018 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.500 7.083 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.166 7.474 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.928 5.867 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.139 5.561 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.546 4.259 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.540 4.837 -4.376 1.00 0.00 H new ATOM 466 N ARG A 34 -0.474 6.710 -0.033 1.00 0.00 N ATOM 467 CA ARG A 34 -1.253 7.683 0.714 1.00 0.00 C ATOM 468 C ARG A 34 -0.516 8.084 1.993 1.00 0.00 C ATOM 469 O ARG A 34 0.122 7.250 2.634 1.00 0.00 O ATOM 470 CB ARG A 34 -2.629 7.122 1.081 1.00 0.00 C ATOM 471 CG ARG A 34 -2.496 5.851 1.922 1.00 0.00 C ATOM 472 CD ARG A 34 -3.511 5.844 3.067 1.00 0.00 C ATOM 473 NE ARG A 34 -3.219 4.729 3.995 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.587 4.707 5.284 1.00 0.00 C ATOM 475 NH1 ARG A 34 -4.263 5.740 5.805 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.278 3.653 6.051 1.00 0.00 N ATOM 0 H ARG A 34 0.073 6.070 0.542 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.387 8.558 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.195 7.871 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.191 6.904 0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.648 4.975 1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.486 5.782 2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.474 6.793 3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.520 5.742 2.669 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.705 3.926 3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.497 6.543 5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.543 5.724 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.763 2.867 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.558 3.636 7.032 1.00 0.00 H new ATOM 490 N GLU A 35 -0.627 9.361 2.327 1.00 0.00 N ATOM 491 CA GLU A 35 0.021 9.883 3.518 1.00 0.00 C ATOM 492 C GLU A 35 -0.704 9.395 4.774 1.00 0.00 C ATOM 493 O GLU A 35 -1.914 9.175 4.751 1.00 0.00 O ATOM 494 CB GLU A 35 0.086 11.411 3.482 1.00 0.00 C ATOM 495 CG GLU A 35 1.516 11.905 3.708 1.00 0.00 C ATOM 496 CD GLU A 35 1.529 13.374 4.136 1.00 0.00 C ATOM 497 OE1 GLU A 35 1.247 14.222 3.262 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.819 13.615 5.328 1.00 0.00 O ATOM 0 H GLU A 35 -1.156 10.050 1.793 1.00 0.00 H new ATOM 0 HA GLU A 35 1.044 9.509 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.279 11.771 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.571 11.825 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.998 11.296 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.095 11.784 2.792 1.00 0.00 H new ATOM 505 N SER A 36 0.067 9.238 5.840 1.00 0.00 N ATOM 506 CA SER A 36 -0.486 8.780 7.103 1.00 0.00 C ATOM 507 C SER A 36 -1.052 9.965 7.887 1.00 0.00 C ATOM 508 O SER A 36 -0.340 10.929 8.162 1.00 0.00 O ATOM 509 CB SER A 36 0.570 8.049 7.934 1.00 0.00 C ATOM 510 OG SER A 36 0.024 6.932 8.630 1.00 0.00 O ATOM 0 H SER A 36 1.071 9.420 5.855 1.00 0.00 H new ATOM 0 HA SER A 36 -1.291 8.077 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.375 7.711 7.281 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.011 8.742 8.650 1.00 0.00 H new ATOM 0 HG SER A 36 0.730 6.492 9.147 1.00 0.00 H new ATOM 516 N LEU A 37 -2.329 9.854 8.225 1.00 0.00 N ATOM 517 CA LEU A 37 -2.999 10.905 8.973 1.00 0.00 C ATOM 518 C LEU A 37 -2.514 10.881 10.424 1.00 0.00 C ATOM 519 O LEU A 37 -2.467 11.919 11.083 1.00 0.00 O ATOM 520 CB LEU A 37 -4.517 10.780 8.829 1.00 0.00 C ATOM 521 CG LEU A 37 -5.094 11.152 7.462 1.00 0.00 C ATOM 522 CD1 LEU A 37 -6.621 11.050 7.466 1.00 0.00 C ATOM 523 CD2 LEU A 37 -4.613 12.535 7.021 1.00 0.00 C ATOM 0 H LEU A 37 -2.917 9.053 7.995 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.743 11.884 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.800 9.751 9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.987 11.411 9.583 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.725 10.435 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.006 11.320 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.917 10.028 7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.029 11.729 8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.038 12.774 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.932 13.281 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.525 12.537 6.953 1.00 0.00 H new ATOM 535 N SER A 38 -2.166 9.686 10.878 1.00 0.00 N ATOM 536 CA SER A 38 -1.687 9.514 12.239 1.00 0.00 C ATOM 537 C SER A 38 -0.204 9.883 12.322 1.00 0.00 C ATOM 538 O SER A 38 0.250 10.417 13.333 1.00 0.00 O ATOM 539 CB SER A 38 -1.905 8.079 12.722 1.00 0.00 C ATOM 540 OG SER A 38 -3.083 7.955 13.514 1.00 0.00 O ATOM 0 H SER A 38 -2.206 8.828 10.328 1.00 0.00 H new ATOM 0 HA SER A 38 -2.257 10.178 12.889 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.975 7.414 11.861 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.041 7.757 13.304 1.00 0.00 H new ATOM 0 HG SER A 38 -3.187 7.024 13.801 1.00 0.00 H new ATOM 546 N GLN A 39 0.509 9.582 11.247 1.00 0.00 N ATOM 547 CA GLN A 39 1.931 9.876 11.186 1.00 0.00 C ATOM 548 C GLN A 39 2.217 10.887 10.074 1.00 0.00 C ATOM 549 O GLN A 39 2.282 10.524 8.901 1.00 0.00 O ATOM 550 CB GLN A 39 2.746 8.597 10.986 1.00 0.00 C ATOM 551 CG GLN A 39 3.149 7.987 12.330 1.00 0.00 C ATOM 552 CD GLN A 39 1.924 7.471 13.087 1.00 0.00 C ATOM 553 OE1 GLN A 39 1.216 6.583 12.642 1.00 0.00 O ATOM 554 NE2 GLN A 39 1.714 8.075 14.254 1.00 0.00 N ATOM 0 H GLN A 39 0.129 9.138 10.411 1.00 0.00 H new ATOM 0 HA GLN A 39 2.233 10.316 12.137 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.162 7.875 10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.639 8.818 10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.851 7.169 12.166 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.665 8.734 12.933 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.346 8.812 14.568 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.921 7.801 14.835 1.00 0.00 H new ATOM 563 N PRO A 40 2.384 12.170 10.494 1.00 0.00 N ATOM 564 CA PRO A 40 2.661 13.237 9.547 1.00 0.00 C ATOM 565 C PRO A 40 4.109 13.172 9.057 1.00 0.00 C ATOM 566 O PRO A 40 5.040 13.392 9.829 1.00 0.00 O ATOM 567 CB PRO A 40 2.345 14.521 10.297 1.00 0.00 C ATOM 568 CG PRO A 40 2.350 14.153 11.772 1.00 0.00 C ATOM 569 CD PRO A 40 2.313 12.637 11.875 1.00 0.00 C ATOM 0 HA PRO A 40 2.059 13.162 8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.087 15.291 10.084 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.376 14.920 9.997 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.241 14.547 12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.489 14.591 12.277 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.149 12.260 12.464 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.400 12.295 12.362 1.00 0.00 H new ATOM 577 N GLY A 41 4.253 12.869 7.775 1.00 0.00 N ATOM 578 CA GLY A 41 5.572 12.772 7.172 1.00 0.00 C ATOM 579 C GLY A 41 5.791 11.391 6.551 1.00 0.00 C ATOM 580 O GLY A 41 6.450 11.268 5.520 1.00 0.00 O ATOM 0 H GLY A 41 3.478 12.687 7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.683 13.540 6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.336 12.960 7.927 1.00 0.00 H new ATOM 584 N ASP A 42 5.225 10.387 7.205 1.00 0.00 N ATOM 585 CA ASP A 42 5.351 9.020 6.729 1.00 0.00 C ATOM 586 C ASP A 42 4.320 8.772 5.626 1.00 0.00 C ATOM 587 O ASP A 42 3.599 9.685 5.229 1.00 0.00 O ATOM 588 CB ASP A 42 5.087 8.019 7.856 1.00 0.00 C ATOM 589 CG ASP A 42 6.278 7.756 8.779 1.00 0.00 C ATOM 590 OD1 ASP A 42 7.320 7.311 8.250 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.121 8.005 9.994 1.00 0.00 O ATOM 0 H ASP A 42 4.679 10.493 8.060 1.00 0.00 H new ATOM 0 HA ASP A 42 6.366 8.884 6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.254 8.383 8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.772 7.073 7.415 1.00 0.00 H new ATOM 596 N PHE A 43 4.285 7.531 5.162 1.00 0.00 N ATOM 597 CA PHE A 43 3.355 7.152 4.112 1.00 0.00 C ATOM 598 C PHE A 43 2.927 5.690 4.260 1.00 0.00 C ATOM 599 O PHE A 43 3.659 4.880 4.827 1.00 0.00 O ATOM 600 CB PHE A 43 4.089 7.323 2.780 1.00 0.00 C ATOM 601 CG PHE A 43 4.673 8.721 2.568 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.909 9.701 2.016 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.957 8.984 2.931 1.00 0.00 C ATOM 604 CE1 PHE A 43 4.451 10.998 1.818 1.00 0.00 C ATOM 605 CE2 PHE A 43 6.500 10.281 2.733 1.00 0.00 C ATOM 606 CZ PHE A 43 5.735 11.261 2.181 1.00 0.00 C ATOM 0 H PHE A 43 4.885 6.776 5.494 1.00 0.00 H new ATOM 0 HA PHE A 43 2.460 7.772 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.895 6.591 2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.400 7.101 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.889 9.493 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.564 8.206 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.844 11.776 1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.520 10.489 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.147 12.248 2.031 1.00 0.00 H new ATOM 616 N VAL A 44 1.744 5.397 3.741 1.00 0.00 N ATOM 617 CA VAL A 44 1.210 4.048 3.809 1.00 0.00 C ATOM 618 C VAL A 44 1.012 3.510 2.390 1.00 0.00 C ATOM 619 O VAL A 44 0.714 4.271 1.471 1.00 0.00 O ATOM 620 CB VAL A 44 -0.076 4.034 4.638 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.610 2.609 4.798 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.144 4.693 6.001 1.00 0.00 C ATOM 0 H VAL A 44 1.140 6.071 3.271 1.00 0.00 H new ATOM 0 HA VAL A 44 1.913 3.385 4.313 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.827 4.615 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.524 2.628 5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.823 2.188 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.137 1.995 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.785 4.670 6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.917 4.152 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.457 5.727 5.859 1.00 0.00 H new ATOM 632 N LEU A 45 1.186 2.204 2.257 1.00 0.00 N ATOM 633 CA LEU A 45 1.031 1.556 0.966 1.00 0.00 C ATOM 634 C LEU A 45 -0.003 0.434 1.084 1.00 0.00 C ATOM 635 O LEU A 45 0.329 -0.681 1.484 1.00 0.00 O ATOM 636 CB LEU A 45 2.387 1.089 0.433 1.00 0.00 C ATOM 637 CG LEU A 45 2.369 0.390 -0.928 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.792 1.308 -2.007 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.761 -0.125 -1.298 1.00 0.00 C ATOM 0 H LEU A 45 1.433 1.576 3.022 1.00 0.00 H new ATOM 0 HA LEU A 45 0.652 2.264 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.046 1.955 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.827 0.409 1.162 1.00 0.00 H new ATOM 0 HG LEU A 45 1.713 -0.478 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.790 0.788 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.771 1.584 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.403 2.208 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.720 -0.618 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.458 0.712 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.098 -0.837 -0.544 1.00 0.00 H new ATOM 651 N SER A 46 -1.235 0.768 0.729 1.00 0.00 N ATOM 652 CA SER A 46 -2.319 -0.198 0.791 1.00 0.00 C ATOM 653 C SER A 46 -2.406 -0.971 -0.526 1.00 0.00 C ATOM 654 O SER A 46 -2.649 -0.385 -1.580 1.00 0.00 O ATOM 655 CB SER A 46 -3.652 0.490 1.092 1.00 0.00 C ATOM 656 OG SER A 46 -4.545 -0.365 1.801 1.00 0.00 O ATOM 0 H SER A 46 -1.507 1.694 0.398 1.00 0.00 H new ATOM 0 HA SER A 46 -2.110 -0.896 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.471 1.391 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.117 0.805 0.158 1.00 0.00 H new ATOM 0 HG SER A 46 -5.401 0.094 1.934 1.00 0.00 H new ATOM 662 N VAL A 47 -2.203 -2.277 -0.424 1.00 0.00 N ATOM 663 CA VAL A 47 -2.255 -3.136 -1.594 1.00 0.00 C ATOM 664 C VAL A 47 -3.412 -4.126 -1.442 1.00 0.00 C ATOM 665 O VAL A 47 -3.584 -4.728 -0.383 1.00 0.00 O ATOM 666 CB VAL A 47 -0.904 -3.823 -1.800 1.00 0.00 C ATOM 667 CG1 VAL A 47 -0.976 -4.845 -2.936 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.200 -2.795 -2.055 1.00 0.00 C ATOM 0 H VAL A 47 -2.002 -2.760 0.451 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.445 -2.548 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.657 -4.359 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.002 -5.319 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.721 -5.604 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.256 -4.341 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.150 -3.309 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.039 -2.219 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.276 -2.123 -1.200 1.00 0.00 H new ATOM 678 N LEU A 48 -4.175 -4.265 -2.517 1.00 0.00 N ATOM 679 CA LEU A 48 -5.310 -5.172 -2.517 1.00 0.00 C ATOM 680 C LEU A 48 -4.832 -6.581 -2.870 1.00 0.00 C ATOM 681 O LEU A 48 -4.203 -6.785 -3.907 1.00 0.00 O ATOM 682 CB LEU A 48 -6.415 -4.648 -3.437 1.00 0.00 C ATOM 683 CG LEU A 48 -7.800 -5.268 -3.243 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.290 -5.075 -1.807 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.795 -4.718 -4.267 1.00 0.00 C ATOM 0 H LEU A 48 -4.029 -3.764 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.754 -5.226 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.498 -3.571 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.108 -4.810 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.721 -6.341 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.277 -5.525 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.594 -5.553 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.349 -4.010 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.772 -5.175 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.877 -3.637 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.447 -4.949 -5.274 1.00 0.00 H new ATOM 697 N SER A 49 -5.149 -7.518 -1.988 1.00 0.00 N ATOM 698 CA SER A 49 -4.759 -8.902 -2.195 1.00 0.00 C ATOM 699 C SER A 49 -5.863 -9.650 -2.945 1.00 0.00 C ATOM 700 O SER A 49 -7.011 -9.209 -2.969 1.00 0.00 O ATOM 701 CB SER A 49 -4.459 -9.594 -0.864 1.00 0.00 C ATOM 702 OG SER A 49 -5.488 -10.508 -0.493 1.00 0.00 O ATOM 0 H SER A 49 -5.671 -7.346 -1.129 1.00 0.00 H new ATOM 0 HA SER A 49 -3.848 -8.915 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.511 -10.126 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.343 -8.843 -0.083 1.00 0.00 H new ATOM 0 HG SER A 49 -5.540 -10.563 0.484 1.00 0.00 H new ATOM 708 N ASP A 50 -5.477 -10.771 -3.538 1.00 0.00 N ATOM 709 CA ASP A 50 -6.420 -11.584 -4.286 1.00 0.00 C ATOM 710 C ASP A 50 -7.024 -12.641 -3.359 1.00 0.00 C ATOM 711 O ASP A 50 -7.489 -13.683 -3.819 1.00 0.00 O ATOM 712 CB ASP A 50 -5.726 -12.310 -5.441 1.00 0.00 C ATOM 713 CG ASP A 50 -5.034 -13.620 -5.059 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.557 -13.694 -3.905 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.997 -14.517 -5.928 1.00 0.00 O ATOM 0 H ASP A 50 -4.524 -11.135 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.191 -10.925 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.465 -12.519 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.986 -11.640 -5.879 1.00 0.00 H new ATOM 720 N GLN A 51 -6.998 -12.335 -2.070 1.00 0.00 N ATOM 721 CA GLN A 51 -7.537 -13.245 -1.074 1.00 0.00 C ATOM 722 C GLN A 51 -8.775 -12.635 -0.412 1.00 0.00 C ATOM 723 O GLN A 51 -8.668 -11.664 0.335 1.00 0.00 O ATOM 724 CB GLN A 51 -6.479 -13.606 -0.030 1.00 0.00 C ATOM 725 CG GLN A 51 -5.399 -14.507 -0.633 1.00 0.00 C ATOM 726 CD GLN A 51 -5.175 -15.749 0.232 1.00 0.00 C ATOM 727 OE1 GLN A 51 -4.399 -15.749 1.174 1.00 0.00 O ATOM 728 NE2 GLN A 51 -5.896 -16.803 -0.138 1.00 0.00 N ATOM 0 H GLN A 51 -6.612 -11.470 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.834 -14.166 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.023 -12.696 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.951 -14.112 0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.692 -14.808 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.466 -13.951 -0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.527 -16.734 -0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.818 -17.680 0.377 1.00 0.00 H new ATOM 737 N PRO A 52 -9.950 -13.246 -0.718 1.00 0.00 N ATOM 738 CA PRO A 52 -11.206 -12.774 -0.161 1.00 0.00 C ATOM 739 C PRO A 52 -11.340 -13.176 1.310 1.00 0.00 C ATOM 740 O PRO A 52 -10.530 -13.946 1.822 1.00 0.00 O ATOM 741 CB PRO A 52 -12.283 -13.384 -1.043 1.00 0.00 C ATOM 742 CG PRO A 52 -11.618 -14.542 -1.771 1.00 0.00 C ATOM 743 CD PRO A 52 -10.115 -14.399 -1.598 1.00 0.00 C ATOM 0 HA PRO A 52 -11.281 -11.687 -0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.127 -13.731 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.672 -12.650 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.960 -15.494 -1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.883 -14.531 -2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.680 -15.297 -1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.620 -14.240 -2.556 1.00 0.00 H new ATOM 751 N LYS A 53 -12.369 -12.636 1.946 1.00 0.00 N ATOM 752 CA LYS A 53 -12.619 -12.928 3.348 1.00 0.00 C ATOM 753 C LYS A 53 -13.571 -14.121 3.453 1.00 0.00 C ATOM 754 O LYS A 53 -13.355 -15.023 4.260 1.00 0.00 O ATOM 755 CB LYS A 53 -13.116 -11.678 4.076 1.00 0.00 C ATOM 756 CG LYS A 53 -12.113 -10.530 3.942 1.00 0.00 C ATOM 757 CD LYS A 53 -12.496 -9.359 4.849 1.00 0.00 C ATOM 758 CE LYS A 53 -14.010 -9.142 4.854 1.00 0.00 C ATOM 759 NZ LYS A 53 -14.371 -8.029 5.760 1.00 0.00 N ATOM 0 H LYS A 53 -13.039 -11.998 1.517 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.694 -13.212 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.079 -11.374 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.275 -11.906 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.114 -10.883 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.075 -10.195 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.149 -9.552 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.996 -8.452 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.355 -8.923 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.513 -10.055 5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.402 -7.895 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.059 -8.253 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.906 -7.156 5.440 1.00 0.00 H new ATOM 773 N ALA A 54 -14.606 -14.086 2.626 1.00 0.00 N ATOM 774 CA ALA A 54 -15.592 -15.153 2.616 1.00 0.00 C ATOM 775 C ALA A 54 -15.527 -15.890 1.276 1.00 0.00 C ATOM 776 O ALA A 54 -15.864 -17.070 1.196 1.00 0.00 O ATOM 777 CB ALA A 54 -16.979 -14.569 2.893 1.00 0.00 C ATOM 0 H ALA A 54 -14.783 -13.335 1.958 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.380 -15.878 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.719 -15.369 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.981 -14.082 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.227 -13.839 2.123 1.00 0.00 H new ATOM 783 N GLY A 55 -15.091 -15.163 0.258 1.00 0.00 N ATOM 784 CA GLY A 55 -14.977 -15.732 -1.074 1.00 0.00 C ATOM 785 C GLY A 55 -15.652 -14.836 -2.113 1.00 0.00 C ATOM 786 O GLY A 55 -15.418 -13.628 -2.143 1.00 0.00 O ATOM 0 H GLY A 55 -14.812 -14.184 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.925 -15.862 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.433 -16.722 -1.091 1.00 0.00 H new ATOM 790 N PRO A 56 -16.498 -15.477 -2.963 1.00 0.00 N ATOM 791 CA PRO A 56 -17.209 -14.751 -4.002 1.00 0.00 C ATOM 792 C PRO A 56 -18.363 -13.938 -3.411 1.00 0.00 C ATOM 793 O PRO A 56 -19.346 -14.505 -2.936 1.00 0.00 O ATOM 794 CB PRO A 56 -17.673 -15.817 -4.980 1.00 0.00 C ATOM 795 CG PRO A 56 -17.611 -17.133 -4.223 1.00 0.00 C ATOM 796 CD PRO A 56 -16.799 -16.906 -2.958 1.00 0.00 C ATOM 0 HA PRO A 56 -16.582 -14.015 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.686 -15.614 -5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.033 -15.843 -5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.615 -17.478 -3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.151 -17.906 -4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.363 -17.189 -2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.887 -17.503 -2.960 1.00 0.00 H new ATOM 804 N GLY A 57 -18.205 -12.624 -3.460 1.00 0.00 N ATOM 805 CA GLY A 57 -19.222 -11.728 -2.935 1.00 0.00 C ATOM 806 C GLY A 57 -18.661 -10.865 -1.803 1.00 0.00 C ATOM 807 O GLY A 57 -19.230 -9.828 -1.468 1.00 0.00 O ATOM 0 H GLY A 57 -17.388 -12.158 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.595 -11.088 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.069 -12.308 -2.569 1.00 0.00 H new ATOM 811 N SER A 58 -17.551 -11.326 -1.245 1.00 0.00 N ATOM 812 CA SER A 58 -16.907 -10.610 -0.157 1.00 0.00 C ATOM 813 C SER A 58 -15.730 -9.793 -0.693 1.00 0.00 C ATOM 814 O SER A 58 -15.146 -10.138 -1.720 1.00 0.00 O ATOM 815 CB SER A 58 -16.432 -11.573 0.932 1.00 0.00 C ATOM 816 OG SER A 58 -15.518 -12.542 0.426 1.00 0.00 O ATOM 0 H SER A 58 -17.081 -12.187 -1.526 1.00 0.00 H new ATOM 0 HA SER A 58 -17.638 -9.935 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.955 -11.008 1.733 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.293 -12.080 1.369 1.00 0.00 H new ATOM 0 HG SER A 58 -15.623 -12.615 -0.546 1.00 0.00 H new ATOM 822 N PRO A 59 -15.407 -8.697 0.045 1.00 0.00 N ATOM 823 CA PRO A 59 -14.309 -7.829 -0.346 1.00 0.00 C ATOM 824 C PRO A 59 -12.959 -8.478 -0.036 1.00 0.00 C ATOM 825 O PRO A 59 -12.818 -9.177 0.966 1.00 0.00 O ATOM 826 CB PRO A 59 -14.537 -6.537 0.422 1.00 0.00 C ATOM 827 CG PRO A 59 -15.481 -6.890 1.560 1.00 0.00 C ATOM 828 CD PRO A 59 -16.075 -8.258 1.266 1.00 0.00 C ATOM 0 HA PRO A 59 -14.284 -7.640 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.597 -6.138 0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.970 -5.771 -0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.946 -6.902 2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.269 -6.142 1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.896 -8.952 2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.155 -8.200 1.128 1.00 0.00 H new ATOM 836 N LEU A 60 -12.001 -8.224 -0.915 1.00 0.00 N ATOM 837 CA LEU A 60 -10.667 -8.775 -0.748 1.00 0.00 C ATOM 838 C LEU A 60 -9.923 -7.982 0.329 1.00 0.00 C ATOM 839 O LEU A 60 -9.896 -6.753 0.292 1.00 0.00 O ATOM 840 CB LEU A 60 -9.935 -8.824 -2.091 1.00 0.00 C ATOM 841 CG LEU A 60 -10.614 -9.636 -3.196 1.00 0.00 C ATOM 842 CD1 LEU A 60 -9.995 -9.330 -4.561 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.584 -11.131 -2.874 1.00 0.00 C ATOM 0 H LEU A 60 -12.122 -7.644 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.722 -9.808 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.802 -7.802 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.939 -9.235 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.661 -9.338 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.496 -9.920 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.113 -8.270 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.935 -9.582 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.073 -11.686 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.550 -11.463 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.108 -11.312 -1.935 1.00 0.00 H new ATOM 855 N ARG A 61 -9.338 -8.718 1.262 1.00 0.00 N ATOM 856 CA ARG A 61 -8.596 -8.098 2.347 1.00 0.00 C ATOM 857 C ARG A 61 -7.661 -7.017 1.802 1.00 0.00 C ATOM 858 O ARG A 61 -7.457 -6.920 0.593 1.00 0.00 O ATOM 859 CB ARG A 61 -7.773 -9.136 3.114 1.00 0.00 C ATOM 860 CG ARG A 61 -8.410 -9.448 4.469 1.00 0.00 C ATOM 861 CD ARG A 61 -7.763 -10.678 5.109 1.00 0.00 C ATOM 862 NE ARG A 61 -7.391 -10.383 6.511 1.00 0.00 N ATOM 863 CZ ARG A 61 -7.114 -11.320 7.428 1.00 0.00 C ATOM 864 NH1 ARG A 61 -7.166 -12.618 7.097 1.00 0.00 N ATOM 865 NH2 ARG A 61 -6.785 -10.960 8.676 1.00 0.00 N ATOM 0 H ARG A 61 -9.363 -9.737 1.289 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.318 -7.648 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.695 -10.050 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.759 -8.764 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.302 -8.590 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.479 -9.620 4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.454 -11.521 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.878 -10.970 4.543 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.342 -9.405 6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.416 -12.892 6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.955 -13.331 7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.745 -9.972 8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.574 -11.673 9.374 1.00 0.00 H new ATOM 879 N VAL A 62 -7.117 -6.232 2.720 1.00 0.00 N ATOM 880 CA VAL A 62 -6.208 -5.161 2.346 1.00 0.00 C ATOM 881 C VAL A 62 -4.920 -5.284 3.162 1.00 0.00 C ATOM 882 O VAL A 62 -4.935 -5.799 4.279 1.00 0.00 O ATOM 883 CB VAL A 62 -6.898 -3.806 2.518 1.00 0.00 C ATOM 884 CG1 VAL A 62 -5.943 -2.659 2.179 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.171 -3.728 1.672 1.00 0.00 C ATOM 0 H VAL A 62 -7.288 -6.316 3.722 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.935 -5.241 1.294 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.185 -3.706 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.457 -1.707 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.078 -2.698 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.612 -2.754 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.642 -2.755 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.917 -3.860 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.861 -4.513 1.980 1.00 0.00 H new ATOM 895 N THR A 63 -3.836 -4.803 2.572 1.00 0.00 N ATOM 896 CA THR A 63 -2.541 -4.852 3.230 1.00 0.00 C ATOM 897 C THR A 63 -1.881 -3.471 3.213 1.00 0.00 C ATOM 898 O THR A 63 -1.504 -2.973 2.154 1.00 0.00 O ATOM 899 CB THR A 63 -1.704 -5.934 2.545 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.143 -7.147 3.149 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.222 -5.849 2.915 1.00 0.00 C ATOM 0 H THR A 63 -3.828 -4.377 1.645 1.00 0.00 H new ATOM 0 HA THR A 63 -2.642 -5.116 4.283 1.00 0.00 H new ATOM 0 HB THR A 63 -1.814 -5.848 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.361 -7.800 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.327 -6.639 2.402 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.173 -4.879 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.109 -5.969 3.992 1.00 0.00 H new ATOM 909 N HIS A 64 -1.763 -2.893 4.399 1.00 0.00 N ATOM 910 CA HIS A 64 -1.155 -1.580 4.534 1.00 0.00 C ATOM 911 C HIS A 64 0.349 -1.732 4.767 1.00 0.00 C ATOM 912 O HIS A 64 0.777 -2.097 5.861 1.00 0.00 O ATOM 913 CB HIS A 64 -1.847 -0.772 5.633 1.00 0.00 C ATOM 914 CG HIS A 64 -3.317 -0.528 5.384 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.783 0.525 4.618 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.417 -1.214 5.808 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.106 0.468 4.589 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.498 -0.610 5.327 1.00 0.00 N ATOM 0 H HIS A 64 -2.078 -3.310 5.275 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.289 -1.017 3.611 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.732 -1.296 6.582 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.342 0.189 5.736 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.206 1.226 4.154 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.410 -2.098 6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.760 1.155 4.072 1.00 0.00 H new ATOM 926 N ILE A 65 1.110 -1.445 3.721 1.00 0.00 N ATOM 927 CA ILE A 65 2.557 -1.545 3.798 1.00 0.00 C ATOM 928 C ILE A 65 3.135 -0.199 4.240 1.00 0.00 C ATOM 929 O ILE A 65 3.401 0.668 3.410 1.00 0.00 O ATOM 930 CB ILE A 65 3.130 -2.056 2.475 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.784 -3.531 2.260 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.637 -1.803 2.396 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.891 -3.711 1.031 1.00 0.00 C ATOM 0 H ILE A 65 0.751 -1.143 2.815 1.00 0.00 H new ATOM 0 HA ILE A 65 2.848 -2.279 4.549 1.00 0.00 H new ATOM 0 HB ILE A 65 2.666 -1.496 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.700 -4.109 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.277 -3.922 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.019 -2.176 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.831 -0.733 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.136 -2.320 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.660 -4.768 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.966 -3.152 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.410 -3.342 0.147 1.00 0.00 H new ATOM 945 N LYS A 66 3.310 -0.067 5.547 1.00 0.00 N ATOM 946 CA LYS A 66 3.851 1.159 6.108 1.00 0.00 C ATOM 947 C LYS A 66 5.212 1.451 5.472 1.00 0.00 C ATOM 948 O LYS A 66 5.951 0.529 5.129 1.00 0.00 O ATOM 949 CB LYS A 66 3.892 1.076 7.636 1.00 0.00 C ATOM 950 CG LYS A 66 2.537 1.446 8.242 1.00 0.00 C ATOM 951 CD LYS A 66 2.162 0.485 9.372 1.00 0.00 C ATOM 952 CE LYS A 66 0.690 0.077 9.279 1.00 0.00 C ATOM 953 NZ LYS A 66 -0.105 0.765 10.321 1.00 0.00 N ATOM 0 H LYS A 66 3.087 -0.788 6.233 1.00 0.00 H new ATOM 0 HA LYS A 66 3.202 2.003 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.168 0.067 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.661 1.746 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.572 2.466 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.769 1.421 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.793 -0.403 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.352 0.959 10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.299 0.325 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.598 -1.003 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.101 0.477 10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.258 0.508 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.031 1.794 10.191 1.00 0.00 H new ATOM 967 N VAL A 67 5.501 2.736 5.332 1.00 0.00 N ATOM 968 CA VAL A 67 6.759 3.160 4.743 1.00 0.00 C ATOM 969 C VAL A 67 7.523 4.025 5.748 1.00 0.00 C ATOM 970 O VAL A 67 7.062 5.102 6.122 1.00 0.00 O ATOM 971 CB VAL A 67 6.501 3.875 3.415 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.787 4.497 2.868 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.874 2.924 2.393 1.00 0.00 C ATOM 0 H VAL A 67 4.885 3.498 5.617 1.00 0.00 H new ATOM 0 HA VAL A 67 7.384 2.296 4.516 1.00 0.00 H new ATOM 0 HB VAL A 67 5.792 4.682 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.575 4.999 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.175 5.221 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.529 3.715 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.701 3.457 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.548 2.087 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.925 2.550 2.778 1.00 0.00 H new ATOM 983 N MET A 68 8.678 3.520 6.157 1.00 0.00 N ATOM 984 CA MET A 68 9.510 4.232 7.111 1.00 0.00 C ATOM 985 C MET A 68 10.418 5.239 6.403 1.00 0.00 C ATOM 986 O MET A 68 11.415 4.858 5.791 1.00 0.00 O ATOM 987 CB MET A 68 10.366 3.231 7.890 1.00 0.00 C ATOM 988 CG MET A 68 9.539 2.521 8.963 1.00 0.00 C ATOM 989 SD MET A 68 10.171 0.873 9.229 1.00 0.00 S ATOM 990 CE MET A 68 9.088 -0.052 8.153 1.00 0.00 C ATOM 0 H MET A 68 9.057 2.626 5.845 1.00 0.00 H new ATOM 0 HA MET A 68 8.860 4.777 7.795 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.787 2.496 7.204 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.205 3.749 8.356 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.573 3.087 9.894 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.494 2.474 8.657 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.132 -1.109 8.414 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.066 0.308 8.269 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.404 0.080 7.118 1.00 0.00 H new ATOM 1000 N CYS A 69 10.041 6.505 6.509 1.00 0.00 N ATOM 1001 CA CYS A 69 10.810 7.569 5.886 1.00 0.00 C ATOM 1002 C CYS A 69 11.855 8.059 6.890 1.00 0.00 C ATOM 1003 O CYS A 69 11.563 8.906 7.733 1.00 0.00 O ATOM 1004 CB CYS A 69 9.909 8.707 5.400 1.00 0.00 C ATOM 1005 SG CYS A 69 8.908 9.351 6.790 1.00 0.00 S ATOM 0 H CYS A 69 9.213 6.818 7.017 1.00 0.00 H new ATOM 0 HA CYS A 69 11.313 7.185 4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.516 9.507 4.977 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.255 8.349 4.605 1.00 0.00 H new ATOM 0 HG CYS A 69 8.164 8.398 7.267 1.00 0.00 H new ATOM 1011 N GLU A 70 13.052 7.503 6.768 1.00 0.00 N ATOM 1012 CA GLU A 70 14.142 7.873 7.655 1.00 0.00 C ATOM 1013 C GLU A 70 15.380 8.258 6.842 1.00 0.00 C ATOM 1014 O GLU A 70 15.734 7.575 5.883 1.00 0.00 O ATOM 1015 CB GLU A 70 14.460 6.741 8.634 1.00 0.00 C ATOM 1016 CG GLU A 70 13.176 6.115 9.183 1.00 0.00 C ATOM 1017 CD GLU A 70 13.212 6.040 10.711 1.00 0.00 C ATOM 1018 OE1 GLU A 70 12.897 7.075 11.337 1.00 0.00 O ATOM 1019 OE2 GLU A 70 13.554 4.950 11.218 1.00 0.00 O ATOM 0 H GLU A 70 13.291 6.800 6.069 1.00 0.00 H new ATOM 0 HA GLU A 70 13.831 8.739 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.055 5.978 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.062 7.125 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.315 6.703 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.049 5.115 8.769 1.00 0.00 H new ATOM 1026 N GLY A 71 16.004 9.351 7.256 1.00 0.00 N ATOM 1027 CA GLY A 71 17.194 9.835 6.578 1.00 0.00 C ATOM 1028 C GLY A 71 16.918 10.082 5.094 1.00 0.00 C ATOM 1029 O GLY A 71 17.746 9.760 4.243 1.00 0.00 O ATOM 0 H GLY A 71 15.708 9.915 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.534 10.759 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.999 9.108 6.686 1.00 0.00 H new ATOM 1033 N GLY A 72 15.752 10.651 4.828 1.00 0.00 N ATOM 1034 CA GLY A 72 15.356 10.944 3.461 1.00 0.00 C ATOM 1035 C GLY A 72 15.237 9.660 2.637 1.00 0.00 C ATOM 1036 O GLY A 72 15.168 9.710 1.410 1.00 0.00 O ATOM 0 H GLY A 72 15.068 10.917 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.402 11.471 3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.087 11.609 3.001 1.00 0.00 H new ATOM 1040 N ARG A 73 15.215 8.541 3.346 1.00 0.00 N ATOM 1041 CA ARG A 73 15.105 7.246 2.695 1.00 0.00 C ATOM 1042 C ARG A 73 13.807 6.551 3.113 1.00 0.00 C ATOM 1043 O ARG A 73 13.317 6.758 4.222 1.00 0.00 O ATOM 1044 CB ARG A 73 16.292 6.349 3.050 1.00 0.00 C ATOM 1045 CG ARG A 73 17.571 6.836 2.365 1.00 0.00 C ATOM 1046 CD ARG A 73 18.812 6.373 3.130 1.00 0.00 C ATOM 1047 NE ARG A 73 19.911 6.081 2.182 1.00 0.00 N ATOM 1048 CZ ARG A 73 21.119 5.631 2.548 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.391 5.418 3.843 1.00 0.00 N ATOM 1050 NH2 ARG A 73 22.055 5.393 1.619 1.00 0.00 N ATOM 0 H ARG A 73 15.271 8.504 4.364 1.00 0.00 H new ATOM 0 HA ARG A 73 15.101 7.415 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.435 6.339 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.081 5.323 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.607 6.458 1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.563 7.924 2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.124 7.144 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.578 5.483 3.714 1.00 0.00 H new ATOM 0 HE ARG A 73 19.738 6.232 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.678 5.598 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 73 22.311 5.075 4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.848 5.554 0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.975 5.050 1.898 1.00 0.00 H new ATOM 1064 N TYR A 74 13.287 5.742 2.201 1.00 0.00 N ATOM 1065 CA TYR A 74 12.056 5.015 2.461 1.00 0.00 C ATOM 1066 C TYR A 74 12.314 3.509 2.540 1.00 0.00 C ATOM 1067 O TYR A 74 13.110 2.971 1.773 1.00 0.00 O ATOM 1068 CB TYR A 74 11.138 5.302 1.270 1.00 0.00 C ATOM 1069 CG TYR A 74 10.740 6.772 1.131 1.00 0.00 C ATOM 1070 CD1 TYR A 74 10.088 7.412 2.165 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.034 7.459 -0.030 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.714 8.796 2.033 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.660 8.844 -0.161 1.00 0.00 C ATOM 1074 CZ TYR A 74 10.018 9.444 0.877 1.00 0.00 C ATOM 1075 OH TYR A 74 9.664 10.751 0.752 1.00 0.00 O ATOM 0 H TYR A 74 13.696 5.574 1.282 1.00 0.00 H new ATOM 0 HA TYR A 74 11.620 5.326 3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.637 4.983 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.235 4.699 1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.858 6.875 3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.544 6.958 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.203 9.308 2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.884 9.394 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 74 9.946 11.084 -0.126 1.00 0.00 H new ATOM 1085 N THR A 75 11.625 2.872 3.476 1.00 0.00 N ATOM 1086 CA THR A 75 11.770 1.439 3.666 1.00 0.00 C ATOM 1087 C THR A 75 10.517 0.859 4.324 1.00 0.00 C ATOM 1088 O THR A 75 9.835 1.546 5.083 1.00 0.00 O ATOM 1089 CB THR A 75 13.048 1.195 4.471 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.953 -0.170 4.869 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.063 1.967 5.792 1.00 0.00 C ATOM 0 H THR A 75 10.965 3.322 4.111 1.00 0.00 H new ATOM 0 HA THR A 75 11.867 0.921 2.712 1.00 0.00 H new ATOM 0 HB THR A 75 13.914 1.480 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.852 -0.534 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.991 1.759 6.324 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.992 3.036 5.590 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.216 1.657 6.404 1.00 0.00 H new ATOM 1099 N VAL A 76 10.251 -0.400 4.009 1.00 0.00 N ATOM 1100 CA VAL A 76 9.091 -1.081 4.560 1.00 0.00 C ATOM 1101 C VAL A 76 9.496 -1.813 5.841 1.00 0.00 C ATOM 1102 O VAL A 76 8.688 -2.524 6.436 1.00 0.00 O ATOM 1103 CB VAL A 76 8.480 -2.009 3.509 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.392 -1.314 2.148 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.268 -3.316 3.407 1.00 0.00 C ATOM 0 H VAL A 76 10.819 -0.967 3.379 1.00 0.00 H new ATOM 0 HA VAL A 76 8.317 -0.361 4.827 1.00 0.00 H new ATOM 0 HB VAL A 76 7.466 -2.253 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.954 -1.996 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.768 -0.424 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.391 -1.026 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.812 -3.958 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.298 -3.099 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.256 -3.824 4.371 1.00 0.00 H new ATOM 1115 N GLY A 77 10.747 -1.613 6.228 1.00 0.00 N ATOM 1116 CA GLY A 77 11.269 -2.246 7.428 1.00 0.00 C ATOM 1117 C GLY A 77 12.390 -3.230 7.085 1.00 0.00 C ATOM 1118 O GLY A 77 12.590 -4.218 7.790 1.00 0.00 O ATOM 0 H GLY A 77 11.414 -1.022 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.645 -1.484 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.466 -2.770 7.946 1.00 0.00 H new ATOM 1122 N GLY A 78 13.091 -2.926 6.003 1.00 0.00 N ATOM 1123 CA GLY A 78 14.185 -3.772 5.558 1.00 0.00 C ATOM 1124 C GLY A 78 15.458 -2.951 5.341 1.00 0.00 C ATOM 1125 O GLY A 78 15.430 -1.724 5.415 1.00 0.00 O ATOM 0 H GLY A 78 12.923 -2.105 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.372 -4.551 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.908 -4.273 4.630 1.00 0.00 H new ATOM 1129 N LEU A 79 16.545 -3.663 5.077 1.00 0.00 N ATOM 1130 CA LEU A 79 17.825 -3.016 4.848 1.00 0.00 C ATOM 1131 C LEU A 79 17.736 -2.147 3.592 1.00 0.00 C ATOM 1132 O LEU A 79 18.309 -1.060 3.542 1.00 0.00 O ATOM 1133 CB LEU A 79 18.949 -4.054 4.798 1.00 0.00 C ATOM 1134 CG LEU A 79 19.596 -4.405 6.139 1.00 0.00 C ATOM 1135 CD1 LEU A 79 20.350 -3.205 6.716 1.00 0.00 C ATOM 1136 CD2 LEU A 79 18.560 -4.957 7.121 1.00 0.00 C ATOM 0 H LEU A 79 16.565 -4.681 5.017 1.00 0.00 H new ATOM 0 HA LEU A 79 18.070 -2.353 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.553 -4.969 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.726 -3.688 4.127 1.00 0.00 H new ATOM 0 HG LEU A 79 20.329 -5.193 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.800 -3.482 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.132 -2.898 6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.656 -2.379 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.047 -5.198 8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.786 -4.209 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.108 -5.858 6.705 1.00 0.00 H new ATOM 1148 N GLU A 80 17.011 -2.658 2.607 1.00 0.00 N ATOM 1149 CA GLU A 80 16.839 -1.943 1.355 1.00 0.00 C ATOM 1150 C GLU A 80 16.073 -0.639 1.589 1.00 0.00 C ATOM 1151 O GLU A 80 15.147 -0.596 2.398 1.00 0.00 O ATOM 1152 CB GLU A 80 16.131 -2.816 0.317 1.00 0.00 C ATOM 1153 CG GLU A 80 16.989 -4.025 -0.060 1.00 0.00 C ATOM 1154 CD GLU A 80 16.171 -5.317 -0.003 1.00 0.00 C ATOM 1155 OE1 GLU A 80 16.018 -5.842 1.121 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.718 -5.750 -1.084 1.00 0.00 O ATOM 0 H GLU A 80 16.536 -3.560 2.652 1.00 0.00 H new ATOM 0 HA GLU A 80 17.825 -1.697 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.174 -3.154 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.916 -2.226 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.393 -3.890 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.839 -4.098 0.619 1.00 0.00 H new ATOM 1163 N THR A 81 16.487 0.392 0.867 1.00 0.00 N ATOM 1164 CA THR A 81 15.851 1.693 0.986 1.00 0.00 C ATOM 1165 C THR A 81 15.642 2.313 -0.397 1.00 0.00 C ATOM 1166 O THR A 81 15.971 1.701 -1.412 1.00 0.00 O ATOM 1167 CB THR A 81 16.709 2.554 1.915 1.00 0.00 C ATOM 1168 OG1 THR A 81 18.048 2.203 1.577 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.575 2.145 3.383 1.00 0.00 C ATOM 0 H THR A 81 17.255 0.353 0.197 1.00 0.00 H new ATOM 0 HA THR A 81 14.856 1.609 1.423 1.00 0.00 H new ATOM 0 HB THR A 81 16.426 3.601 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.671 2.717 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.204 2.788 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.536 2.247 3.696 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.889 1.108 3.502 1.00 0.00 H new ATOM 1177 N PHE A 82 15.096 3.520 -0.392 1.00 0.00 N ATOM 1178 CA PHE A 82 14.839 4.230 -1.634 1.00 0.00 C ATOM 1179 C PHE A 82 14.810 5.742 -1.405 1.00 0.00 C ATOM 1180 O PHE A 82 14.617 6.200 -0.279 1.00 0.00 O ATOM 1181 CB PHE A 82 13.466 3.775 -2.133 1.00 0.00 C ATOM 1182 CG PHE A 82 13.276 2.257 -2.135 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.645 1.527 -3.222 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.738 1.637 -1.051 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.469 0.118 -3.224 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.562 0.228 -1.053 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.931 -0.502 -2.139 1.00 0.00 C ATOM 0 H PHE A 82 14.824 4.024 0.452 1.00 0.00 H new ATOM 0 HA PHE A 82 15.626 4.014 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.696 4.226 -1.508 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.316 4.151 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.072 2.019 -4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.444 2.216 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.762 -0.462 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.135 -0.264 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.797 -1.574 -2.140 1.00 0.00 H new ATOM 1197 N ASP A 83 15.003 6.477 -2.490 1.00 0.00 N ATOM 1198 CA ASP A 83 15.002 7.928 -2.422 1.00 0.00 C ATOM 1199 C ASP A 83 13.571 8.441 -2.600 1.00 0.00 C ATOM 1200 O ASP A 83 13.140 9.346 -1.887 1.00 0.00 O ATOM 1201 CB ASP A 83 15.863 8.533 -3.533 1.00 0.00 C ATOM 1202 CG ASP A 83 17.364 8.270 -3.403 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.760 7.755 -2.335 1.00 0.00 O ATOM 1204 OD2 ASP A 83 18.082 8.590 -4.375 1.00 0.00 O ATOM 0 H ASP A 83 15.161 6.094 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 83 15.407 8.220 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.522 8.140 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.699 9.610 -3.554 1.00 0.00 H new ATOM 1209 N SER A 84 12.876 7.841 -3.555 1.00 0.00 N ATOM 1210 CA SER A 84 11.503 8.226 -3.835 1.00 0.00 C ATOM 1211 C SER A 84 10.585 7.007 -3.723 1.00 0.00 C ATOM 1212 O SER A 84 11.048 5.869 -3.775 1.00 0.00 O ATOM 1213 CB SER A 84 11.381 8.856 -5.224 1.00 0.00 C ATOM 1214 OG SER A 84 10.081 9.392 -5.454 1.00 0.00 O ATOM 0 H SER A 84 13.238 7.091 -4.145 1.00 0.00 H new ATOM 0 HA SER A 84 11.199 8.971 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.123 9.647 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.604 8.106 -5.983 1.00 0.00 H new ATOM 0 HG SER A 84 10.044 9.787 -6.350 1.00 0.00 H new ATOM 1220 N LEU A 85 9.299 7.288 -3.570 1.00 0.00 N ATOM 1221 CA LEU A 85 8.311 6.229 -3.449 1.00 0.00 C ATOM 1222 C LEU A 85 8.227 5.463 -4.771 1.00 0.00 C ATOM 1223 O LEU A 85 7.819 4.303 -4.795 1.00 0.00 O ATOM 1224 CB LEU A 85 6.970 6.798 -2.981 1.00 0.00 C ATOM 1225 CG LEU A 85 6.703 6.735 -1.476 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.244 5.337 -1.058 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.927 7.197 -0.682 1.00 0.00 C ATOM 0 H LEU A 85 8.919 8.233 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 85 8.611 5.513 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.910 7.839 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.172 6.262 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 85 5.890 7.423 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.061 5.320 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.325 5.083 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.018 4.611 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.710 7.142 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.775 6.553 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.168 8.225 -0.951 1.00 0.00 H new ATOM 1239 N THR A 86 8.619 6.143 -5.838 1.00 0.00 N ATOM 1240 CA THR A 86 8.593 5.541 -7.160 1.00 0.00 C ATOM 1241 C THR A 86 9.615 4.406 -7.250 1.00 0.00 C ATOM 1242 O THR A 86 9.305 3.325 -7.748 1.00 0.00 O ATOM 1243 CB THR A 86 8.824 6.650 -8.189 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.582 7.347 -8.233 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.996 6.105 -9.608 1.00 0.00 C ATOM 0 H THR A 86 8.956 7.105 -5.814 1.00 0.00 H new ATOM 0 HA THR A 86 7.626 5.082 -7.367 1.00 0.00 H new ATOM 0 HB THR A 86 9.708 7.225 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.946 6.921 -7.621 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.157 6.933 -10.299 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.855 5.435 -9.639 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.099 5.559 -9.899 1.00 0.00 H new ATOM 1253 N ASP A 87 10.812 4.691 -6.760 1.00 0.00 N ATOM 1254 CA ASP A 87 11.882 3.708 -6.778 1.00 0.00 C ATOM 1255 C ASP A 87 11.561 2.593 -5.781 1.00 0.00 C ATOM 1256 O ASP A 87 12.219 1.554 -5.773 1.00 0.00 O ATOM 1257 CB ASP A 87 13.216 4.337 -6.371 1.00 0.00 C ATOM 1258 CG ASP A 87 14.171 4.633 -7.529 1.00 0.00 C ATOM 1259 OD1 ASP A 87 13.678 5.157 -8.551 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.372 4.330 -7.365 1.00 0.00 O ATOM 0 H ASP A 87 11.065 5.589 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 87 11.963 3.317 -7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.015 5.267 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.716 3.670 -5.669 1.00 0.00 H new ATOM 1265 N LEU A 88 10.549 2.847 -4.964 1.00 0.00 N ATOM 1266 CA LEU A 88 10.133 1.877 -3.964 1.00 0.00 C ATOM 1267 C LEU A 88 8.993 1.027 -4.529 1.00 0.00 C ATOM 1268 O LEU A 88 9.052 -0.201 -4.490 1.00 0.00 O ATOM 1269 CB LEU A 88 9.785 2.579 -2.650 1.00 0.00 C ATOM 1270 CG LEU A 88 9.628 1.673 -1.427 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.967 2.426 -0.140 1.00 0.00 C ATOM 1272 CD2 LEU A 88 8.229 1.055 -1.378 1.00 0.00 C ATOM 0 H LEU A 88 10.005 3.710 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 88 10.951 1.197 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.562 3.313 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.855 3.130 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 88 10.339 0.852 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.847 1.759 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.998 2.777 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.298 3.279 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.144 0.416 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.483 1.848 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.062 0.461 -2.276 1.00 0.00 H new ATOM 1284 N VAL A 89 7.982 1.714 -5.040 1.00 0.00 N ATOM 1285 CA VAL A 89 6.831 1.037 -5.612 1.00 0.00 C ATOM 1286 C VAL A 89 7.275 0.223 -6.828 1.00 0.00 C ATOM 1287 O VAL A 89 6.834 -0.910 -7.016 1.00 0.00 O ATOM 1288 CB VAL A 89 5.736 2.054 -5.941 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.624 1.413 -6.773 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.173 2.685 -4.666 1.00 0.00 C ATOM 0 H VAL A 89 7.936 2.733 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 89 6.403 0.339 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 89 6.185 2.848 -6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.859 2.158 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.040 1.034 -7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.179 0.590 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.397 3.404 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.748 1.907 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.973 3.194 -4.128 1.00 0.00 H new ATOM 1300 N GLU A 90 8.142 0.832 -7.624 1.00 0.00 N ATOM 1301 CA GLU A 90 8.651 0.177 -8.817 1.00 0.00 C ATOM 1302 C GLU A 90 9.578 -0.978 -8.434 1.00 0.00 C ATOM 1303 O GLU A 90 9.926 -1.805 -9.276 1.00 0.00 O ATOM 1304 CB GLU A 90 9.367 1.176 -9.727 1.00 0.00 C ATOM 1305 CG GLU A 90 8.368 2.121 -10.398 1.00 0.00 C ATOM 1306 CD GLU A 90 8.906 2.627 -11.738 1.00 0.00 C ATOM 1307 OE1 GLU A 90 9.418 1.779 -12.501 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.794 3.850 -11.969 1.00 0.00 O ATOM 0 H GLU A 90 8.505 1.772 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 90 7.806 -0.230 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.085 1.754 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.933 0.639 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.421 1.604 -10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.165 2.967 -9.741 1.00 0.00 H new ATOM 1315 N HIS A 91 9.952 -0.999 -7.163 1.00 0.00 N ATOM 1316 CA HIS A 91 10.832 -2.039 -6.658 1.00 0.00 C ATOM 1317 C HIS A 91 10.002 -3.255 -6.241 1.00 0.00 C ATOM 1318 O HIS A 91 10.285 -4.377 -6.660 1.00 0.00 O ATOM 1319 CB HIS A 91 11.711 -1.505 -5.526 1.00 0.00 C ATOM 1320 CG HIS A 91 12.342 -2.583 -4.677 1.00 0.00 C ATOM 1321 ND1 HIS A 91 11.886 -3.218 -3.560 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.589 -3.118 -4.949 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 12.803 -4.095 -3.172 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 13.860 -4.034 -4.032 1.00 0.00 N flip ATOM 0 H HIS A 91 9.661 -0.312 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 91 11.512 -2.360 -7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.499 -0.886 -5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.109 -0.859 -4.887 1.00 0.00 H new ATOM 0 HD1 HIS A 91 10.991 -3.048 -3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.232 -2.836 -5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 91 12.725 -4.749 -2.316 1.00 0.00 H new ATOM 1332 N PHE A 92 8.995 -2.992 -5.421 1.00 0.00 N ATOM 1333 CA PHE A 92 8.123 -4.050 -4.943 1.00 0.00 C ATOM 1334 C PHE A 92 7.058 -4.396 -5.985 1.00 0.00 C ATOM 1335 O PHE A 92 6.300 -5.350 -5.811 1.00 0.00 O ATOM 1336 CB PHE A 92 7.434 -3.526 -3.681 1.00 0.00 C ATOM 1337 CG PHE A 92 8.353 -3.438 -2.461 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.647 -4.558 -1.749 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.875 -2.239 -2.089 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.500 -4.476 -0.617 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.728 -2.157 -0.956 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.023 -3.277 -0.244 1.00 0.00 C ATOM 0 H PHE A 92 8.764 -2.060 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 92 8.705 -4.950 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.025 -2.537 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.592 -4.176 -3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.232 -5.510 -2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.641 -1.349 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.734 -5.366 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.142 -1.205 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.672 -3.215 0.617 1.00 0.00 H new ATOM 1352 N LYS A 93 7.034 -3.603 -7.046 1.00 0.00 N ATOM 1353 CA LYS A 93 6.074 -3.813 -8.116 1.00 0.00 C ATOM 1354 C LYS A 93 6.395 -5.126 -8.832 1.00 0.00 C ATOM 1355 O LYS A 93 5.614 -5.593 -9.660 1.00 0.00 O ATOM 1356 CB LYS A 93 6.035 -2.599 -9.047 1.00 0.00 C ATOM 1357 CG LYS A 93 4.823 -1.715 -8.744 1.00 0.00 C ATOM 1358 CD LYS A 93 4.849 -0.441 -9.590 1.00 0.00 C ATOM 1359 CE LYS A 93 4.873 -0.774 -11.083 1.00 0.00 C ATOM 1360 NZ LYS A 93 4.470 0.405 -11.883 1.00 0.00 N ATOM 0 H LYS A 93 7.664 -2.814 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 93 5.067 -3.908 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.951 -2.019 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.996 -2.932 -10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.906 -2.269 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.815 -1.453 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.974 0.168 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.726 0.153 -9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.873 -1.094 -11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.200 -1.607 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.492 0.162 -12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.507 0.693 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.128 1.189 -11.701 1.00 0.00 H new ATOM 1374 N LYS A 94 7.546 -5.685 -8.488 1.00 0.00 N ATOM 1375 CA LYS A 94 7.980 -6.935 -9.088 1.00 0.00 C ATOM 1376 C LYS A 94 8.189 -7.978 -7.988 1.00 0.00 C ATOM 1377 O LYS A 94 7.500 -8.997 -7.955 1.00 0.00 O ATOM 1378 CB LYS A 94 9.215 -6.710 -9.963 1.00 0.00 C ATOM 1379 CG LYS A 94 9.792 -5.309 -9.747 1.00 0.00 C ATOM 1380 CD LYS A 94 11.162 -5.172 -10.413 1.00 0.00 C ATOM 1381 CE LYS A 94 12.245 -4.855 -9.380 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.561 -5.352 -9.839 1.00 0.00 N ATOM 0 H LYS A 94 8.191 -5.295 -7.801 1.00 0.00 H new ATOM 0 HA LYS A 94 7.211 -7.323 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.972 -7.459 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.950 -6.840 -11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.109 -4.564 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.881 -5.109 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.411 -6.096 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.128 -4.382 -11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.294 -3.779 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.990 -5.313 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.284 -5.128 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.515 -6.382 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.810 -4.895 -10.740 1.00 0.00 H new ATOM 1396 N THR A 95 9.141 -7.688 -7.114 1.00 0.00 N ATOM 1397 CA THR A 95 9.449 -8.588 -6.016 1.00 0.00 C ATOM 1398 C THR A 95 8.173 -8.961 -5.259 1.00 0.00 C ATOM 1399 O THR A 95 7.853 -10.141 -5.118 1.00 0.00 O ATOM 1400 CB THR A 95 10.503 -7.915 -5.134 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.823 -6.795 -4.574 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.638 -7.292 -5.950 1.00 0.00 C ATOM 0 H THR A 95 9.710 -6.842 -7.144 1.00 0.00 H new ATOM 0 HA THR A 95 9.861 -9.529 -6.380 1.00 0.00 H new ATOM 0 HB THR A 95 10.915 -8.646 -4.438 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.399 -7.058 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.358 -6.828 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.134 -8.067 -6.534 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.231 -6.537 -6.622 1.00 0.00 H new ATOM 1410 N GLY A 96 7.478 -7.934 -4.792 1.00 0.00 N ATOM 1411 CA GLY A 96 6.244 -8.140 -4.053 1.00 0.00 C ATOM 1412 C GLY A 96 6.454 -7.902 -2.557 1.00 0.00 C ATOM 1413 O GLY A 96 7.567 -7.611 -2.121 1.00 0.00 O ATOM 0 H GLY A 96 7.746 -6.957 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.475 -7.465 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.884 -9.156 -4.216 1.00 0.00 H new ATOM 1417 N ILE A 97 5.368 -8.035 -1.810 1.00 0.00 N ATOM 1418 CA ILE A 97 5.420 -7.838 -0.371 1.00 0.00 C ATOM 1419 C ILE A 97 4.883 -9.088 0.330 1.00 0.00 C ATOM 1420 O ILE A 97 3.863 -9.642 -0.077 1.00 0.00 O ATOM 1421 CB ILE A 97 4.689 -6.552 0.020 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.413 -5.321 -0.530 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.493 -6.472 1.535 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.417 -4.300 -1.081 1.00 0.00 C ATOM 0 H ILE A 97 4.446 -8.277 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 97 6.450 -7.705 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 97 3.698 -6.571 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.010 -4.863 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.103 -5.623 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.971 -5.549 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.903 -7.325 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.465 -6.485 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.958 -3.435 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.839 -4.754 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.744 -3.982 -0.285 1.00 0.00 H new ATOM 1436 N GLU A 98 5.594 -9.494 1.371 1.00 0.00 N ATOM 1437 CA GLU A 98 5.202 -10.668 2.133 1.00 0.00 C ATOM 1438 C GLU A 98 4.372 -10.258 3.351 1.00 0.00 C ATOM 1439 O GLU A 98 4.779 -9.387 4.119 1.00 0.00 O ATOM 1440 CB GLU A 98 6.426 -11.483 2.553 1.00 0.00 C ATOM 1441 CG GLU A 98 6.018 -12.684 3.409 1.00 0.00 C ATOM 1442 CD GLU A 98 7.192 -13.176 4.258 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.097 -13.803 3.666 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.158 -12.915 5.480 1.00 0.00 O ATOM 0 H GLU A 98 6.439 -9.031 1.705 1.00 0.00 H new ATOM 0 HA GLU A 98 4.586 -11.302 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.959 -11.828 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.114 -10.850 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.186 -12.407 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.666 -13.491 2.766 1.00 0.00 H new ATOM 1451 N GLU A 99 3.223 -10.904 3.490 1.00 0.00 N ATOM 1452 CA GLU A 99 2.333 -10.617 4.601 1.00 0.00 C ATOM 1453 C GLU A 99 2.812 -11.335 5.865 1.00 0.00 C ATOM 1454 O GLU A 99 3.691 -12.193 5.799 1.00 0.00 O ATOM 1455 CB GLU A 99 0.892 -11.005 4.264 1.00 0.00 C ATOM 1456 CG GLU A 99 0.199 -9.899 3.466 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.322 -10.070 3.498 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.860 -10.153 4.624 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.911 -10.114 2.397 1.00 0.00 O ATOM 0 H GLU A 99 2.889 -11.625 2.851 1.00 0.00 H new ATOM 0 HA GLU A 99 2.352 -9.543 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.886 -11.931 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.339 -11.196 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.468 -8.926 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.549 -9.917 2.434 1.00 0.00 H new ATOM 1466 N ALA A 100 2.214 -10.957 6.985 1.00 0.00 N ATOM 1467 CA ALA A 100 2.569 -11.554 8.261 1.00 0.00 C ATOM 1468 C ALA A 100 1.938 -12.944 8.362 1.00 0.00 C ATOM 1469 O ALA A 100 2.284 -13.723 9.248 1.00 0.00 O ATOM 1470 CB ALA A 100 2.128 -10.629 9.397 1.00 0.00 C ATOM 0 H ALA A 100 1.486 -10.245 7.035 1.00 0.00 H new ATOM 0 HA ALA A 100 3.649 -11.676 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.394 -11.076 10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.627 -9.665 9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.048 -10.485 9.351 1.00 0.00 H new ATOM 1476 N SER A 101 1.023 -13.212 7.442 1.00 0.00 N ATOM 1477 CA SER A 101 0.341 -14.494 7.416 1.00 0.00 C ATOM 1478 C SER A 101 1.185 -15.521 6.659 1.00 0.00 C ATOM 1479 O SER A 101 0.963 -16.725 6.782 1.00 0.00 O ATOM 1480 CB SER A 101 -1.043 -14.369 6.776 1.00 0.00 C ATOM 1481 OG SER A 101 -1.014 -13.578 5.591 1.00 0.00 O ATOM 0 H SER A 101 0.738 -12.563 6.709 1.00 0.00 H new ATOM 0 HA SER A 101 0.207 -14.831 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.424 -15.362 6.539 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.735 -13.924 7.492 1.00 0.00 H new ATOM 0 HG SER A 101 -1.916 -13.524 5.212 1.00 0.00 H new ATOM 1487 N GLY A 102 2.136 -15.008 5.891 1.00 0.00 N ATOM 1488 CA GLY A 102 3.014 -15.866 5.114 1.00 0.00 C ATOM 1489 C GLY A 102 2.732 -15.726 3.617 1.00 0.00 C ATOM 1490 O GLY A 102 3.574 -16.069 2.788 1.00 0.00 O ATOM 0 H GLY A 102 2.317 -14.009 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.053 -15.609 5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.877 -16.904 5.418 1.00 0.00 H new ATOM 1494 N ALA A 103 1.545 -15.222 3.315 1.00 0.00 N ATOM 1495 CA ALA A 103 1.141 -15.033 1.932 1.00 0.00 C ATOM 1496 C ALA A 103 1.877 -13.823 1.352 1.00 0.00 C ATOM 1497 O ALA A 103 2.216 -12.891 2.079 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.379 -14.881 1.860 1.00 0.00 C ATOM 0 H ALA A 103 0.849 -14.938 4.005 1.00 0.00 H new ATOM 0 HA ALA A 103 1.410 -15.902 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.682 -14.739 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.854 -15.778 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.687 -14.017 2.449 1.00 0.00 H new ATOM 1504 N PHE A 104 2.101 -13.877 0.047 1.00 0.00 N ATOM 1505 CA PHE A 104 2.790 -12.797 -0.639 1.00 0.00 C ATOM 1506 C PHE A 104 1.799 -11.903 -1.387 1.00 0.00 C ATOM 1507 O PHE A 104 0.679 -12.319 -1.677 1.00 0.00 O ATOM 1508 CB PHE A 104 3.739 -13.443 -1.650 1.00 0.00 C ATOM 1509 CG PHE A 104 5.163 -13.642 -1.128 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.451 -14.699 -0.322 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.142 -12.761 -1.469 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.773 -14.883 0.163 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.464 -12.945 -0.985 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.752 -14.002 -0.179 1.00 0.00 C ATOM 0 H PHE A 104 1.818 -14.652 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 104 3.324 -12.178 0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.333 -14.410 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.775 -12.824 -2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.674 -15.399 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.913 -11.921 -2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.001 -15.722 0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.241 -12.246 -1.257 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.757 -14.142 0.189 1.00 0.00 H new ATOM 1524 N VAL A 105 2.248 -10.690 -1.677 1.00 0.00 N ATOM 1525 CA VAL A 105 1.415 -9.734 -2.386 1.00 0.00 C ATOM 1526 C VAL A 105 2.250 -9.036 -3.462 1.00 0.00 C ATOM 1527 O VAL A 105 3.455 -8.857 -3.299 1.00 0.00 O ATOM 1528 CB VAL A 105 0.782 -8.756 -1.394 1.00 0.00 C ATOM 1529 CG1 VAL A 105 -0.007 -7.668 -2.124 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.103 -9.493 -0.387 1.00 0.00 C ATOM 0 H VAL A 105 3.178 -10.348 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 105 0.594 -10.243 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 105 1.587 -8.272 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.446 -6.986 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.662 -7.114 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.799 -8.128 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.541 -8.775 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.898 -10.017 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.499 -10.213 0.168 1.00 0.00 H new ATOM 1540 N TYR A 106 1.574 -8.662 -4.539 1.00 0.00 N ATOM 1541 CA TYR A 106 2.238 -7.988 -5.642 1.00 0.00 C ATOM 1542 C TYR A 106 1.416 -6.793 -6.129 1.00 0.00 C ATOM 1543 O TYR A 106 0.195 -6.773 -5.982 1.00 0.00 O ATOM 1544 CB TYR A 106 2.334 -9.019 -6.769 1.00 0.00 C ATOM 1545 CG TYR A 106 2.894 -10.373 -6.328 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.254 -10.603 -6.368 1.00 0.00 C ATOM 1547 CD2 TYR A 106 2.039 -11.363 -5.890 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.781 -11.877 -5.954 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.566 -12.638 -5.475 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.911 -12.832 -5.527 1.00 0.00 C ATOM 1551 OH TYR A 106 4.409 -14.035 -5.136 1.00 0.00 O ATOM 0 H TYR A 106 0.574 -8.813 -4.671 1.00 0.00 H new ATOM 0 HA TYR A 106 3.214 -7.615 -5.332 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.342 -9.169 -7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.965 -8.617 -7.562 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.923 -9.827 -6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.975 -11.182 -5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.843 -12.070 -5.982 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.908 -13.422 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 106 3.673 -14.618 -4.855 1.00 0.00 H new ATOM 1561 N LEU A 107 2.120 -5.825 -6.698 1.00 0.00 N ATOM 1562 CA LEU A 107 1.471 -4.629 -7.207 1.00 0.00 C ATOM 1563 C LEU A 107 1.372 -4.717 -8.731 1.00 0.00 C ATOM 1564 O LEU A 107 2.351 -4.475 -9.435 1.00 0.00 O ATOM 1565 CB LEU A 107 2.192 -3.375 -6.709 1.00 0.00 C ATOM 1566 CG LEU A 107 2.536 -3.346 -5.218 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.654 -4.338 -4.894 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.878 -1.926 -4.762 1.00 0.00 C ATOM 0 H LEU A 107 3.133 -5.845 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 107 0.453 -4.556 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.115 -3.261 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.570 -2.509 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 107 1.655 -3.660 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.879 -4.297 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.334 -5.346 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.547 -4.079 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.119 -1.933 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.736 -1.560 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.023 -1.272 -4.936 1.00 0.00 H new ATOM 1580 N ARG A 108 0.180 -5.064 -9.196 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.059 -5.188 -10.623 1.00 0.00 C ATOM 1582 C ARG A 108 -0.422 -3.826 -11.220 1.00 0.00 C ATOM 1583 O ARG A 108 0.161 -3.407 -12.219 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.189 -6.179 -10.909 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.717 -7.621 -10.706 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.514 -8.587 -11.586 1.00 0.00 C ATOM 1587 NE ARG A 108 -0.607 -9.589 -12.187 1.00 0.00 N ATOM 1588 CZ ARG A 108 0.168 -9.357 -13.255 1.00 0.00 C ATOM 1589 NH1 ARG A 108 0.150 -8.155 -13.847 1.00 0.00 N ATOM 1590 NH2 ARG A 108 0.960 -10.326 -13.732 1.00 0.00 N ATOM 0 H ARG A 108 -0.630 -5.263 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 108 0.858 -5.558 -11.082 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.034 -5.973 -10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.542 -6.048 -11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.344 -7.697 -10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.829 -7.900 -9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.279 -9.087 -10.992 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.031 -8.035 -12.371 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.569 -10.515 -11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.454 -7.417 -13.485 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.740 -7.978 -14.660 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.973 -11.241 -13.282 1.00 0.00 H new ATOM 0 HH22 ARG A 108 1.550 -10.149 -14.545 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.382 -3.173 -10.582 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.829 -1.868 -11.038 1.00 0.00 C ATOM 1606 C GLN A 109 -2.161 -0.973 -9.842 1.00 0.00 C ATOM 1607 O GLN A 109 -2.723 -1.438 -8.851 1.00 0.00 O ATOM 1608 CB GLN A 109 -3.031 -1.997 -11.976 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.290 -2.397 -11.203 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.872 -3.704 -11.744 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.599 -3.732 -12.724 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.515 -4.783 -11.053 1.00 0.00 N ATOM 0 H GLN A 109 -1.863 -3.523 -9.753 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.019 -1.404 -11.601 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.200 -1.050 -12.488 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.819 -2.741 -12.744 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.051 -2.511 -10.146 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.035 -1.604 -11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.903 -4.690 -10.242 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.853 -5.703 -11.334 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.790 0.328 -9.977 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.042 1.292 -8.919 1.00 0.00 C ATOM 1623 C PRO A 110 -3.520 1.682 -8.874 1.00 0.00 C ATOM 1624 O PRO A 110 -4.282 1.348 -9.780 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.127 2.465 -9.229 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.741 2.317 -10.692 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.123 0.914 -11.135 1.00 0.00 C ATOM 0 HA PRO A 110 -1.832 0.892 -7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.635 3.413 -9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.245 2.452 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.254 3.062 -11.300 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.329 2.481 -10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.783 0.939 -12.002 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.244 0.336 -11.420 1.00 0.00 H new ATOM 1635 N TYR A 111 -3.882 2.385 -7.811 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.256 2.825 -7.636 1.00 0.00 C ATOM 1637 C TYR A 111 -5.422 4.286 -8.059 1.00 0.00 C ATOM 1638 O TYR A 111 -4.698 5.160 -7.584 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.550 2.704 -6.139 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.009 2.976 -5.768 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.023 2.296 -6.412 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.311 3.901 -4.790 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.397 2.552 -6.063 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.685 4.157 -4.440 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.659 3.470 -5.094 1.00 0.00 C ATOM 1646 OH TYR A 111 -10.956 3.712 -4.764 1.00 0.00 O ATOM 0 H TYR A 111 -3.247 2.661 -7.062 1.00 0.00 H new ATOM 0 HA TYR A 111 -5.932 2.225 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.282 1.701 -5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.912 3.401 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.786 1.572 -7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.517 4.433 -4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.200 2.027 -6.559 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -8.935 4.878 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.487 2.901 -4.908 1.00 0.00 H new