USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 74 LYS NZ :NH3+ -121:sc= -1.4 (180deg=-3.51!) USER MOD Set 2.2: A 75 HIS : no HD1:sc= -4.79! C(o=-6.2!,f=-6.9!) USER MOD Set 3.1: A 59 SER OG : rot -29:sc= 0.218 USER MOD Set 3.2: A 81 HIS : no HE2:sc= -3.7! C(o=-3.5!,f=-4.1!) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.218 K(o=-0.43,f=-1) USER MOD Set 4.2: A 29 ASN : amide:sc= -0.212 X(o=-0.43,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -108:sc= -2.63! (180deg=-4.33!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= 0.41 (180deg=0.242) USER MOD Single : A 20 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.016) USER MOD Single : A 30 LYS NZ :NH3+ -142:sc= -0.0609 (180deg=-1.14) USER MOD Single : A 39 CYS SG : rot 39:sc= 0.402 USER MOD Single : A 42 TYR OH : rot -40:sc= -0.845 USER MOD Single : A 43 TYR OH : rot 93:sc= 0.00343 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.487 (180deg=-1.85!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -4.09! C(o=-4.1!,f=-5.7!) USER MOD Single : A 68 SER OG : rot -43:sc= 0.607 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.72! C(o=-2.7!,f=-4.7!) USER MOD Single : A 102 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.1!) USER MOD Single : A 104 MET CE :methyl -164:sc=-0.00971 (180deg=-0.469) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 0.067 -0.774 12.631 1.00 0.00 N ATOM 105 CA VAL A 11 -0.139 -1.795 11.611 1.00 0.00 C ATOM 106 C VAL A 11 -1.575 -1.778 11.100 1.00 0.00 C ATOM 107 O VAL A 11 -2.523 -1.676 11.879 1.00 0.00 O ATOM 108 CB VAL A 11 0.186 -3.201 12.150 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.882 -3.656 13.133 1.00 0.00 C ATOM 110 CG2 VAL A 11 0.324 -4.192 11.004 1.00 0.00 C ATOM 0 HA VAL A 11 0.539 -1.564 10.790 1.00 0.00 H new ATOM 0 HB VAL A 11 1.138 -3.157 12.679 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.636 -4.651 13.503 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.927 -2.959 13.969 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.849 -3.685 12.632 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.554 -5.180 11.403 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.611 -4.235 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.128 -3.872 10.341 1.00 0.00 H new ATOM 120 N THR A 12 -1.730 -1.880 9.783 1.00 0.00 N ATOM 121 CA THR A 12 -3.051 -1.876 9.167 1.00 0.00 C ATOM 122 C THR A 12 -3.508 -3.292 8.836 1.00 0.00 C ATOM 123 O THR A 12 -4.647 -3.669 9.111 1.00 0.00 O ATOM 124 CB THR A 12 -3.067 -1.030 7.880 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.545 0.276 8.145 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.480 -0.914 7.326 1.00 0.00 C ATOM 0 H THR A 12 -0.957 -1.966 9.123 1.00 0.00 H new ATOM 0 HA THR A 12 -3.736 -1.436 9.892 1.00 0.00 H new ATOM 0 HB THR A 12 -2.442 -1.527 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.557 0.807 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.466 -0.312 6.417 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.864 -1.908 7.097 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.123 -0.438 8.066 1.00 0.00 H new ATOM 134 N LYS A 13 -2.612 -4.075 8.244 1.00 0.00 N ATOM 135 CA LYS A 13 -2.921 -5.452 7.877 1.00 0.00 C ATOM 136 C LYS A 13 -1.651 -6.294 7.803 1.00 0.00 C ATOM 137 O LYS A 13 -0.603 -5.816 7.371 1.00 0.00 O ATOM 138 CB LYS A 13 -3.651 -5.491 6.533 1.00 0.00 C ATOM 139 CG LYS A 13 -3.922 -6.898 6.029 1.00 0.00 C ATOM 140 CD LYS A 13 -5.131 -6.938 5.109 1.00 0.00 C ATOM 141 CE LYS A 13 -5.496 -8.365 4.730 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.919 -8.479 4.305 1.00 0.00 N ATOM 0 H LYS A 13 -1.665 -3.779 8.008 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.568 -5.871 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.598 -4.959 6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.058 -4.956 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.046 -7.270 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.086 -7.564 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.980 -6.463 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.922 -6.363 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.847 -8.703 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.317 -9.024 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.463 -8.973 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.315 -7.528 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.974 -9.016 3.416 1.00 0.00 H new ATOM 156 N ALA A 14 -1.754 -7.549 8.227 1.00 0.00 N ATOM 157 CA ALA A 14 -0.615 -8.458 8.205 1.00 0.00 C ATOM 158 C ALA A 14 -1.056 -9.885 7.897 1.00 0.00 C ATOM 159 O ALA A 14 -2.065 -10.359 8.419 1.00 0.00 O ATOM 160 CB ALA A 14 0.127 -8.408 9.533 1.00 0.00 C ATOM 0 H ALA A 14 -2.614 -7.959 8.590 1.00 0.00 H new ATOM 0 HA ALA A 14 0.060 -8.135 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.975 -9.092 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.485 -7.394 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.547 -8.702 10.338 1.00 0.00 H new ATOM 166 N GLY A 15 -0.294 -10.565 7.046 1.00 0.00 N ATOM 167 CA GLY A 15 -0.625 -11.931 6.683 1.00 0.00 C ATOM 168 C GLY A 15 0.429 -12.567 5.798 1.00 0.00 C ATOM 169 O GLY A 15 1.261 -11.872 5.216 1.00 0.00 O ATOM 0 H GLY A 15 0.546 -10.195 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.742 -12.526 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.585 -11.944 6.167 1.00 0.00 H new ATOM 173 N TRP A 16 0.394 -13.890 5.697 1.00 0.00 N ATOM 174 CA TRP A 16 1.355 -14.620 4.877 1.00 0.00 C ATOM 175 C TRP A 16 0.939 -14.608 3.410 1.00 0.00 C ATOM 176 O TRP A 16 -0.112 -15.138 3.048 1.00 0.00 O ATOM 177 CB TRP A 16 1.487 -16.062 5.371 1.00 0.00 C ATOM 178 CG TRP A 16 2.237 -16.181 6.663 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.703 -16.218 7.920 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.656 -16.276 6.825 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.706 -16.331 8.853 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.913 -16.370 8.206 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.735 -16.294 5.937 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.203 -16.477 8.718 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.015 -16.401 6.446 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.241 -16.492 7.826 1.00 0.00 C ATOM 0 H TRP A 16 -0.289 -14.480 6.172 1.00 0.00 H new ATOM 0 HA TRP A 16 2.321 -14.123 4.965 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.492 -16.488 5.496 1.00 0.00 H new ATOM 0 HB3 TRP A 16 1.994 -16.655 4.609 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.648 -16.166 8.147 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.573 -16.378 9.863 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.571 -16.225 4.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.379 -16.546 9.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.856 -16.415 5.769 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.253 -16.576 8.193 1.00 0.00 H new ATOM 197 N LEU A 17 1.769 -14.000 2.570 1.00 0.00 N ATOM 198 CA LEU A 17 1.487 -13.919 1.141 1.00 0.00 C ATOM 199 C LEU A 17 2.641 -14.492 0.325 1.00 0.00 C ATOM 200 O LEU A 17 3.696 -14.822 0.868 1.00 0.00 O ATOM 201 CB LEU A 17 1.231 -12.467 0.733 1.00 0.00 C ATOM 202 CG LEU A 17 -0.154 -11.911 1.067 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.148 -10.391 1.002 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.201 -12.483 0.123 1.00 0.00 C ATOM 0 H LEU A 17 2.642 -13.556 2.853 1.00 0.00 H new ATOM 0 HA LEU A 17 0.594 -14.510 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.979 -11.838 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.386 -12.380 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.409 -12.210 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.142 -10.013 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.573 -9.999 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.129 -10.071 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.180 -12.076 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.951 -12.215 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.223 -13.569 0.219 1.00 0.00 H new ATOM 216 N PHE A 18 2.435 -14.606 -0.983 1.00 0.00 N ATOM 217 CA PHE A 18 3.459 -15.138 -1.875 1.00 0.00 C ATOM 218 C PHE A 18 3.923 -14.075 -2.865 1.00 0.00 C ATOM 219 O PHE A 18 3.141 -13.584 -3.680 1.00 0.00 O ATOM 220 CB PHE A 18 2.924 -16.357 -2.631 1.00 0.00 C ATOM 221 CG PHE A 18 2.771 -17.577 -1.769 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.895 -17.577 -0.695 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.502 -18.724 -2.032 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.753 -18.699 0.100 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.363 -19.849 -1.241 1.00 0.00 C ATOM 226 CZ PHE A 18 2.487 -19.836 -0.174 1.00 0.00 C ATOM 0 H PHE A 18 1.568 -14.337 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 18 4.312 -15.441 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.957 -16.108 -3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.598 -16.587 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.317 -16.691 -0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.189 -18.739 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.068 -18.686 0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.939 -20.737 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.376 -20.714 0.445 1.00 0.00 H new ATOM 236 N LYS A 19 5.202 -13.723 -2.789 1.00 0.00 N ATOM 237 CA LYS A 19 5.774 -12.718 -3.679 1.00 0.00 C ATOM 238 C LYS A 19 6.480 -13.376 -4.860 1.00 0.00 C ATOM 239 O LYS A 19 7.337 -14.240 -4.678 1.00 0.00 O ATOM 240 CB LYS A 19 6.757 -11.830 -2.913 1.00 0.00 C ATOM 241 CG LYS A 19 6.917 -10.443 -3.511 1.00 0.00 C ATOM 242 CD LYS A 19 8.005 -9.653 -2.804 1.00 0.00 C ATOM 243 CE LYS A 19 8.031 -8.204 -3.266 1.00 0.00 C ATOM 244 NZ LYS A 19 8.774 -8.043 -4.546 1.00 0.00 N ATOM 0 H LYS A 19 5.863 -14.119 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 19 4.960 -12.102 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.419 -11.735 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.731 -12.319 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.158 -10.528 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.972 -9.905 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.841 -9.690 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.974 -10.114 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.010 -7.844 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.494 -7.586 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.471 -7.166 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.795 -7.996 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.576 -8.854 -5.166 1.00 0.00 H new ATOM 258 N GLN A 20 6.115 -12.960 -6.068 1.00 0.00 N ATOM 259 CA GLN A 20 6.715 -13.509 -7.278 1.00 0.00 C ATOM 260 C GLN A 20 8.209 -13.208 -7.329 1.00 0.00 C ATOM 261 O GLN A 20 8.657 -12.158 -6.871 1.00 0.00 O ATOM 262 CB GLN A 20 6.025 -12.938 -8.519 1.00 0.00 C ATOM 263 CG GLN A 20 6.100 -13.852 -9.731 1.00 0.00 C ATOM 264 CD GLN A 20 5.246 -13.364 -10.884 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.280 -12.186 -11.242 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.472 -14.269 -11.472 1.00 0.00 N ATOM 0 H GLN A 20 5.407 -12.245 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 20 6.581 -14.591 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.978 -12.743 -8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.480 -11.979 -8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.137 -13.930 -10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.780 -14.854 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.475 -15.234 -11.143 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.874 -13.999 -12.253 1.00 0.00 H new ATOM 275 N ALA A 21 8.976 -14.138 -7.890 1.00 0.00 N ATOM 276 CA ALA A 21 10.420 -13.972 -8.002 1.00 0.00 C ATOM 277 C ALA A 21 10.794 -13.295 -9.316 1.00 0.00 C ATOM 278 O ALA A 21 10.642 -13.877 -10.390 1.00 0.00 O ATOM 279 CB ALA A 21 11.117 -15.319 -7.883 1.00 0.00 C ATOM 0 H ALA A 21 8.621 -15.014 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 21 10.752 -13.331 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.195 -15.180 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.884 -15.765 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.772 -15.979 -8.679 1.00 0.00 H new ATOM 352 N GLN A 27 9.526 -18.733 -9.604 1.00 0.00 N ATOM 353 CA GLN A 27 8.959 -19.374 -8.424 1.00 0.00 C ATOM 354 C GLN A 27 8.256 -18.354 -7.534 1.00 0.00 C ATOM 355 O GLN A 27 8.224 -17.163 -7.845 1.00 0.00 O ATOM 356 CB GLN A 27 10.054 -20.091 -7.632 1.00 0.00 C ATOM 357 CG GLN A 27 11.042 -19.145 -6.967 1.00 0.00 C ATOM 358 CD GLN A 27 12.213 -19.873 -6.337 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.310 -21.098 -6.411 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.112 -19.121 -5.713 1.00 0.00 N ATOM 0 HA GLN A 27 8.223 -20.105 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.589 -20.714 -6.868 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.597 -20.759 -8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.415 -18.436 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.525 -18.565 -6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.993 -18.109 -5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.922 -19.556 -5.271 1.00 0.00 H new ATOM 369 N TRP A 28 7.696 -18.828 -6.428 1.00 0.00 N ATOM 370 CA TRP A 28 6.993 -17.957 -5.493 1.00 0.00 C ATOM 371 C TRP A 28 7.482 -18.181 -4.067 1.00 0.00 C ATOM 372 O TRP A 28 7.386 -19.286 -3.534 1.00 0.00 O ATOM 373 CB TRP A 28 5.485 -18.200 -5.572 1.00 0.00 C ATOM 374 CG TRP A 28 4.866 -17.685 -6.836 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.872 -18.293 -8.059 1.00 0.00 C ATOM 376 CD2 TRP A 28 4.151 -16.455 -7.001 1.00 0.00 C ATOM 377 NE1 TRP A 28 4.204 -17.515 -8.974 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.752 -16.383 -8.350 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.808 -15.409 -6.140 1.00 0.00 C ATOM 380 CZ2 TRP A 28 3.029 -15.305 -8.855 1.00 0.00 C ATOM 381 CZ3 TRP A 28 3.091 -14.340 -6.643 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.707 -14.295 -7.990 1.00 0.00 C ATOM 0 H TRP A 28 7.715 -19.811 -6.156 1.00 0.00 H new ATOM 0 HA TRP A 28 7.202 -16.924 -5.771 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.292 -19.270 -5.491 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.002 -17.723 -4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.334 -19.245 -8.275 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.067 -17.744 -9.959 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.098 -15.436 -5.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.733 -15.268 -9.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.822 -13.525 -5.987 1.00 0.00 H new ATOM 0 HH2 TRP A 28 2.146 -13.446 -8.352 1.00 0.00 H new ATOM 393 N ASN A 29 8.008 -17.125 -3.453 1.00 0.00 N ATOM 394 CA ASN A 29 8.513 -17.208 -2.087 1.00 0.00 C ATOM 395 C ASN A 29 7.527 -16.583 -1.104 1.00 0.00 C ATOM 396 O ASN A 29 7.220 -15.394 -1.187 1.00 0.00 O ATOM 397 CB ASN A 29 9.870 -16.510 -1.980 1.00 0.00 C ATOM 398 CG ASN A 29 10.975 -17.287 -2.668 1.00 0.00 C ATOM 399 OD1 ASN A 29 11.369 -18.361 -2.215 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.482 -16.744 -3.770 1.00 0.00 N ATOM 0 H ASN A 29 8.095 -16.203 -3.880 1.00 0.00 H new ATOM 0 HA ASN A 29 8.633 -18.261 -1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.800 -15.516 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.124 -16.375 -0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.229 -17.220 -4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.124 -15.851 -4.110 1.00 0.00 H new ATOM 407 N LYS A 30 7.035 -17.393 -0.173 1.00 0.00 N ATOM 408 CA LYS A 30 6.086 -16.920 0.828 1.00 0.00 C ATOM 409 C LYS A 30 6.803 -16.172 1.947 1.00 0.00 C ATOM 410 O LYS A 30 7.743 -16.690 2.551 1.00 0.00 O ATOM 411 CB LYS A 30 5.299 -18.097 1.410 1.00 0.00 C ATOM 412 CG LYS A 30 4.068 -17.677 2.193 1.00 0.00 C ATOM 413 CD LYS A 30 3.294 -18.881 2.704 1.00 0.00 C ATOM 414 CE LYS A 30 3.817 -19.348 4.054 1.00 0.00 C ATOM 415 NZ LYS A 30 4.966 -20.284 3.910 1.00 0.00 N ATOM 0 H LYS A 30 7.278 -18.380 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 30 5.394 -16.233 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.995 -18.757 0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.954 -18.675 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.367 -17.052 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.422 -17.070 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.238 -18.626 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.368 -19.695 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.124 -18.484 4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.015 -19.840 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.899 -21.030 4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.946 -20.715 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.857 -19.762 4.034 1.00 0.00 H new ATOM 429 N ARG A 31 6.353 -14.952 2.220 1.00 0.00 N ATOM 430 CA ARG A 31 6.952 -14.133 3.267 1.00 0.00 C ATOM 431 C ARG A 31 5.877 -13.418 4.080 1.00 0.00 C ATOM 432 O ARG A 31 4.721 -13.340 3.666 1.00 0.00 O ATOM 433 CB ARG A 31 7.910 -13.108 2.657 1.00 0.00 C ATOM 434 CG ARG A 31 9.320 -13.638 2.454 1.00 0.00 C ATOM 435 CD ARG A 31 10.036 -13.840 3.781 1.00 0.00 C ATOM 436 NE ARG A 31 11.120 -14.814 3.675 1.00 0.00 N ATOM 437 CZ ARG A 31 10.945 -16.124 3.806 1.00 0.00 C ATOM 438 NH1 ARG A 31 9.737 -16.615 4.045 1.00 0.00 N ATOM 439 NH2 ARG A 31 11.981 -16.946 3.697 1.00 0.00 N ATOM 0 H ARG A 31 5.576 -14.509 1.731 1.00 0.00 H new ATOM 0 HA ARG A 31 7.510 -14.791 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.513 -12.779 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.950 -12.231 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.280 -14.584 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.886 -12.941 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.437 -12.887 4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.320 -14.174 4.532 1.00 0.00 H new ATOM 0 HE ARG A 31 12.062 -14.469 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.938 -15.986 4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.606 -17.622 4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.912 -16.572 3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.847 -17.952 3.798 1.00 0.00 H new ATOM 453 N TRP A 32 6.266 -12.899 5.239 1.00 0.00 N ATOM 454 CA TRP A 32 5.335 -12.192 6.111 1.00 0.00 C ATOM 455 C TRP A 32 5.164 -10.744 5.664 1.00 0.00 C ATOM 456 O TRP A 32 6.096 -9.944 5.751 1.00 0.00 O ATOM 457 CB TRP A 32 5.826 -12.237 7.559 1.00 0.00 C ATOM 458 CG TRP A 32 4.870 -11.611 8.530 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.093 -10.507 9.302 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.543 -12.054 8.833 1.00 0.00 C ATOM 461 NE1 TRP A 32 3.984 -10.236 10.066 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.019 -11.170 9.796 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.746 -13.109 8.382 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.735 -11.313 10.316 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.472 -13.249 8.899 1.00 0.00 C ATOM 466 CH2 TRP A 32 0.976 -12.355 9.858 1.00 0.00 C ATOM 0 H TRP A 32 7.220 -12.954 5.597 1.00 0.00 H new ATOM 0 HA TRP A 32 4.367 -12.689 6.047 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.996 -13.275 7.845 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.787 -11.726 7.625 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.007 -9.932 9.311 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.894 -9.464 10.727 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.119 -13.803 7.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.352 -10.625 11.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.848 -14.062 8.558 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.024 -12.491 10.242 1.00 0.00 H new ATOM 477 N PHE A 33 3.969 -10.414 5.187 1.00 0.00 N ATOM 478 CA PHE A 33 3.677 -9.061 4.726 1.00 0.00 C ATOM 479 C PHE A 33 2.919 -8.275 5.791 1.00 0.00 C ATOM 480 O PHE A 33 2.016 -8.802 6.442 1.00 0.00 O ATOM 481 CB PHE A 33 2.862 -9.106 3.432 1.00 0.00 C ATOM 482 CG PHE A 33 3.693 -9.369 2.208 1.00 0.00 C ATOM 483 CD1 PHE A 33 3.961 -10.666 1.803 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.207 -8.319 1.465 1.00 0.00 C ATOM 485 CE1 PHE A 33 4.725 -10.912 0.677 1.00 0.00 C ATOM 486 CE2 PHE A 33 4.971 -8.559 0.338 1.00 0.00 C ATOM 487 CZ PHE A 33 5.231 -9.857 -0.055 1.00 0.00 C ATOM 0 H PHE A 33 3.187 -11.064 5.109 1.00 0.00 H new ATOM 0 HA PHE A 33 4.624 -8.557 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.101 -9.882 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.338 -8.158 3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.569 -11.495 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.009 -7.302 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.925 -11.928 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.364 -7.732 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.829 -10.046 -0.934 1.00 0.00 H new ATOM 497 N VAL A 34 3.293 -7.012 5.964 1.00 0.00 N ATOM 498 CA VAL A 34 2.649 -6.152 6.950 1.00 0.00 C ATOM 499 C VAL A 34 2.341 -4.779 6.364 1.00 0.00 C ATOM 500 O VAL A 34 3.200 -3.896 6.335 1.00 0.00 O ATOM 501 CB VAL A 34 3.528 -5.977 8.203 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.801 -5.155 9.255 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.934 -7.333 8.761 1.00 0.00 C ATOM 0 H VAL A 34 4.039 -6.561 5.434 1.00 0.00 H new ATOM 0 HA VAL A 34 1.717 -6.640 7.234 1.00 0.00 H new ATOM 0 HB VAL A 34 4.433 -5.440 7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.438 -5.042 10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.565 -4.171 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.878 -5.661 9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.555 -7.191 9.646 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.041 -7.898 9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.497 -7.883 8.007 1.00 0.00 H new ATOM 513 N LEU A 35 1.109 -4.604 5.897 1.00 0.00 N ATOM 514 CA LEU A 35 0.686 -3.336 5.311 1.00 0.00 C ATOM 515 C LEU A 35 0.698 -2.223 6.354 1.00 0.00 C ATOM 516 O LEU A 35 -0.094 -2.233 7.296 1.00 0.00 O ATOM 517 CB LEU A 35 -0.714 -3.473 4.709 1.00 0.00 C ATOM 518 CG LEU A 35 -1.475 -2.167 4.480 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.888 -1.406 3.302 1.00 0.00 C ATOM 520 CD2 LEU A 35 -2.954 -2.445 4.253 1.00 0.00 C ATOM 0 H LEU A 35 0.386 -5.323 5.913 1.00 0.00 H new ATOM 0 HA LEU A 35 1.391 -3.075 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.628 -3.993 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.310 -4.107 5.365 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.374 -1.549 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.443 -0.479 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.158 -1.175 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.958 -2.018 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.480 -1.504 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.074 -3.083 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.368 -2.947 5.127 1.00 0.00 H new ATOM 532 N VAL A 36 1.600 -1.264 6.177 1.00 0.00 N ATOM 533 CA VAL A 36 1.713 -0.141 7.101 1.00 0.00 C ATOM 534 C VAL A 36 1.044 1.106 6.534 1.00 0.00 C ATOM 535 O VAL A 36 0.476 1.077 5.442 1.00 0.00 O ATOM 536 CB VAL A 36 3.186 0.179 7.418 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.757 1.140 6.387 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.316 0.751 8.821 1.00 0.00 C ATOM 0 H VAL A 36 2.263 -1.241 5.403 1.00 0.00 H new ATOM 0 HA VAL A 36 1.207 -0.435 8.021 1.00 0.00 H new ATOM 0 HB VAL A 36 3.759 -0.747 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.798 1.355 6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.699 0.688 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.184 2.067 6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.363 0.971 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.731 1.667 8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.948 0.025 9.546 1.00 0.00 H new ATOM 548 N ASP A 37 1.115 2.201 7.283 1.00 0.00 N ATOM 549 CA ASP A 37 0.518 3.460 6.855 1.00 0.00 C ATOM 550 C ASP A 37 0.951 3.813 5.436 1.00 0.00 C ATOM 551 O ASP A 37 2.116 4.128 5.192 1.00 0.00 O ATOM 552 CB ASP A 37 0.906 4.586 7.815 1.00 0.00 C ATOM 553 CG ASP A 37 -0.069 4.726 8.968 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.232 4.300 8.815 1.00 0.00 O ATOM 555 OD2 ASP A 37 0.332 5.263 10.022 1.00 0.00 O ATOM 0 H ASP A 37 1.580 2.242 8.190 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.565 3.341 6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.905 4.396 8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.953 5.527 7.267 1.00 0.00 H new ATOM 560 N ARG A 38 0.007 3.758 4.503 1.00 0.00 N ATOM 561 CA ARG A 38 0.292 4.069 3.107 1.00 0.00 C ATOM 562 C ARG A 38 1.603 3.427 2.664 1.00 0.00 C ATOM 563 O ARG A 38 2.388 4.035 1.935 1.00 0.00 O ATOM 564 CB ARG A 38 0.359 5.584 2.904 1.00 0.00 C ATOM 565 CG ARG A 38 -0.998 6.227 2.668 1.00 0.00 C ATOM 566 CD ARG A 38 -0.882 7.471 1.801 1.00 0.00 C ATOM 567 NE ARG A 38 -2.162 8.159 1.656 1.00 0.00 N ATOM 568 CZ ARG A 38 -2.685 8.941 2.593 1.00 0.00 C ATOM 569 NH1 ARG A 38 -2.042 9.133 3.737 1.00 0.00 N ATOM 570 NH2 ARG A 38 -3.855 9.533 2.388 1.00 0.00 N ATOM 0 H ARG A 38 -0.963 3.501 4.688 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.515 3.663 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.820 6.040 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.007 5.800 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.664 5.509 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.449 6.490 3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.152 8.152 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.507 7.193 0.816 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.682 8.032 0.788 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.143 8.679 3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.447 9.734 4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.353 9.387 1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.256 10.134 3.108 1.00 0.00 H new ATOM 584 N CYS A 39 1.833 2.197 3.109 1.00 0.00 N ATOM 585 CA CYS A 39 3.050 1.473 2.759 1.00 0.00 C ATOM 586 C CYS A 39 2.918 -0.008 3.100 1.00 0.00 C ATOM 587 O CYS A 39 1.995 -0.414 3.807 1.00 0.00 O ATOM 588 CB CYS A 39 4.253 2.071 3.491 1.00 0.00 C ATOM 589 SG CYS A 39 5.105 3.372 2.568 1.00 0.00 S ATOM 0 H CYS A 39 1.193 1.680 3.713 1.00 0.00 H new ATOM 0 HA CYS A 39 3.204 1.568 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.919 2.477 4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.962 1.274 3.714 1.00 0.00 H new ATOM 0 HG CYS A 39 4.231 4.107 1.947 1.00 0.00 H new ATOM 595 N LEU A 40 3.846 -0.812 2.591 1.00 0.00 N ATOM 596 CA LEU A 40 3.833 -2.249 2.840 1.00 0.00 C ATOM 597 C LEU A 40 5.251 -2.786 3.002 1.00 0.00 C ATOM 598 O LEU A 40 6.120 -2.539 2.165 1.00 0.00 O ATOM 599 CB LEU A 40 3.127 -2.978 1.695 1.00 0.00 C ATOM 600 CG LEU A 40 3.206 -4.505 1.721 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.623 -5.047 3.017 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.484 -5.097 0.520 1.00 0.00 C ATOM 0 H LEU A 40 4.616 -0.493 2.004 1.00 0.00 H new ATOM 0 HA LEU A 40 3.288 -2.428 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.076 -2.688 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.550 -2.628 0.753 1.00 0.00 H new ATOM 0 HG LEU A 40 4.255 -4.797 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.688 -6.135 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.184 -4.649 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.579 -4.745 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.551 -6.184 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.436 -4.797 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.947 -4.735 -0.398 1.00 0.00 H new ATOM 614 N PHE A 41 5.479 -3.525 4.083 1.00 0.00 N ATOM 615 CA PHE A 41 6.791 -4.099 4.355 1.00 0.00 C ATOM 616 C PHE A 41 6.688 -5.602 4.599 1.00 0.00 C ATOM 617 O PHE A 41 5.686 -6.089 5.123 1.00 0.00 O ATOM 618 CB PHE A 41 7.429 -3.416 5.567 1.00 0.00 C ATOM 619 CG PHE A 41 7.770 -1.973 5.331 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.994 -1.616 4.788 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.866 -0.973 5.652 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.310 -0.288 4.571 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.177 0.357 5.437 1.00 0.00 C ATOM 624 CZ PHE A 41 8.400 0.699 4.895 1.00 0.00 C ATOM 0 H PHE A 41 4.771 -3.740 4.785 1.00 0.00 H new ATOM 0 HA PHE A 41 7.420 -3.934 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.747 -3.486 6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.336 -3.955 5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.709 -2.384 4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.908 -1.235 6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.268 -0.022 4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.464 1.127 5.693 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.645 1.737 4.725 1.00 0.00 H new ATOM 634 N TYR A 42 7.730 -6.330 4.215 1.00 0.00 N ATOM 635 CA TYR A 42 7.756 -7.778 4.389 1.00 0.00 C ATOM 636 C TYR A 42 8.951 -8.203 5.238 1.00 0.00 C ATOM 637 O TYR A 42 9.870 -7.418 5.474 1.00 0.00 O ATOM 638 CB TYR A 42 7.810 -8.475 3.029 1.00 0.00 C ATOM 639 CG TYR A 42 9.038 -8.128 2.218 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.150 -6.898 1.583 1.00 0.00 C ATOM 641 CD2 TYR A 42 10.086 -9.031 2.087 1.00 0.00 C ATOM 642 CE1 TYR A 42 10.270 -6.576 0.840 1.00 0.00 C ATOM 643 CE2 TYR A 42 11.210 -8.718 1.348 1.00 0.00 C ATOM 644 CZ TYR A 42 11.297 -7.490 0.726 1.00 0.00 C ATOM 645 OH TYR A 42 12.415 -7.174 -0.012 1.00 0.00 O ATOM 0 H TYR A 42 8.568 -5.942 3.781 1.00 0.00 H new ATOM 0 HA TYR A 42 6.842 -8.073 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.779 -9.554 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.921 -8.208 2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.348 -6.180 1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.020 -9.994 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.341 -5.615 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 42 12.016 -9.431 1.258 1.00 0.00 H new ATOM 0 HH TYR A 42 12.147 -6.694 -0.823 1.00 0.00 H new ATOM 655 N TYR A 43 8.929 -9.450 5.694 1.00 0.00 N ATOM 656 CA TYR A 43 10.009 -9.981 6.519 1.00 0.00 C ATOM 657 C TYR A 43 10.167 -11.483 6.308 1.00 0.00 C ATOM 658 O TYR A 43 9.267 -12.149 5.795 1.00 0.00 O ATOM 659 CB TYR A 43 9.742 -9.687 7.996 1.00 0.00 C ATOM 660 CG TYR A 43 9.143 -8.321 8.243 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.857 -8.016 7.815 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.863 -7.334 8.906 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.306 -6.769 8.038 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.320 -6.085 9.134 1.00 0.00 C ATOM 665 CZ TYR A 43 8.041 -5.807 8.698 1.00 0.00 C ATOM 666 OH TYR A 43 7.495 -4.564 8.923 1.00 0.00 O ATOM 0 H TYR A 43 8.176 -10.112 5.507 1.00 0.00 H new ATOM 0 HA TYR A 43 10.936 -9.491 6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.069 -10.447 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.678 -9.770 8.549 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.278 -8.767 7.299 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.865 -7.548 9.249 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.305 -6.549 7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.894 -5.330 9.651 1.00 0.00 H new ATOM 0 HH TYR A 43 7.069 -4.549 9.806 1.00 0.00 H new ATOM 676 N LYS A 44 11.318 -12.012 6.709 1.00 0.00 N ATOM 677 CA LYS A 44 11.596 -13.437 6.567 1.00 0.00 C ATOM 678 C LYS A 44 10.465 -14.273 7.156 1.00 0.00 C ATOM 679 O LYS A 44 10.178 -15.371 6.677 1.00 0.00 O ATOM 680 CB LYS A 44 12.917 -13.790 7.255 1.00 0.00 C ATOM 681 CG LYS A 44 14.129 -13.658 6.349 1.00 0.00 C ATOM 682 CD LYS A 44 15.403 -14.089 7.056 1.00 0.00 C ATOM 683 CE LYS A 44 16.641 -13.619 6.309 1.00 0.00 C ATOM 684 NZ LYS A 44 17.884 -13.846 7.096 1.00 0.00 N ATOM 0 H LYS A 44 12.074 -11.476 7.135 1.00 0.00 H new ATOM 0 HA LYS A 44 11.675 -13.663 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.050 -13.143 8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.861 -14.813 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.984 -14.265 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.227 -12.624 6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.413 -13.686 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.421 -15.175 7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.713 -14.146 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.545 -12.558 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.705 -13.512 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.827 -13.323 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.989 -14.862 7.293 1.00 0.00 H new ATOM 698 N ASP A 45 9.825 -13.748 8.194 1.00 0.00 N ATOM 699 CA ASP A 45 8.723 -14.445 8.846 1.00 0.00 C ATOM 700 C ASP A 45 8.035 -13.543 9.866 1.00 0.00 C ATOM 701 O ASP A 45 8.534 -12.465 10.190 1.00 0.00 O ATOM 702 CB ASP A 45 9.229 -15.716 9.531 1.00 0.00 C ATOM 703 CG ASP A 45 10.650 -15.573 10.038 1.00 0.00 C ATOM 704 OD1 ASP A 45 11.066 -14.431 10.325 1.00 0.00 O ATOM 705 OD2 ASP A 45 11.348 -16.603 10.147 1.00 0.00 O ATOM 0 H ASP A 45 10.050 -12.841 8.603 1.00 0.00 H new ATOM 0 HA ASP A 45 7.996 -14.718 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.572 -15.962 10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.179 -16.548 8.829 1.00 0.00 H new ATOM 710 N GLU A 46 6.888 -13.990 10.367 1.00 0.00 N ATOM 711 CA GLU A 46 6.132 -13.221 11.348 1.00 0.00 C ATOM 712 C GLU A 46 7.063 -12.595 12.383 1.00 0.00 C ATOM 713 O GLU A 46 6.761 -11.546 12.952 1.00 0.00 O ATOM 714 CB GLU A 46 5.103 -14.113 12.045 1.00 0.00 C ATOM 715 CG GLU A 46 5.656 -15.463 12.471 1.00 0.00 C ATOM 716 CD GLU A 46 6.237 -15.439 13.871 1.00 0.00 C ATOM 717 OE1 GLU A 46 5.647 -14.775 14.748 1.00 0.00 O ATOM 718 OE2 GLU A 46 7.283 -16.087 14.090 1.00 0.00 O ATOM 0 H GLU A 46 6.462 -14.880 10.110 1.00 0.00 H new ATOM 0 HA GLU A 46 5.611 -12.421 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.720 -13.593 12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.258 -14.271 11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.862 -16.208 12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.427 -15.774 11.767 1.00 0.00 H new ATOM 725 N LYS A 47 8.196 -13.247 12.622 1.00 0.00 N ATOM 726 CA LYS A 47 9.172 -12.756 13.587 1.00 0.00 C ATOM 727 C LYS A 47 9.345 -11.245 13.465 1.00 0.00 C ATOM 728 O LYS A 47 9.434 -10.539 14.470 1.00 0.00 O ATOM 729 CB LYS A 47 10.519 -13.452 13.380 1.00 0.00 C ATOM 730 CG LYS A 47 10.505 -14.926 13.750 1.00 0.00 C ATOM 731 CD LYS A 47 11.913 -15.473 13.914 1.00 0.00 C ATOM 732 CE LYS A 47 12.454 -15.210 15.311 1.00 0.00 C ATOM 733 NZ LYS A 47 13.032 -13.843 15.434 1.00 0.00 N ATOM 0 H LYS A 47 8.461 -14.117 12.160 1.00 0.00 H new ATOM 0 HA LYS A 47 8.803 -12.983 14.587 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.814 -13.351 12.336 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.277 -12.943 13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.950 -15.064 14.678 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.982 -15.491 12.978 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.913 -16.545 13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.571 -15.015 13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.653 -15.332 16.040 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.218 -15.950 15.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.786 -13.848 16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.426 -13.549 14.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.287 -13.176 15.720 1.00 0.00 H new ATOM 747 N GLU A 48 9.392 -10.757 12.230 1.00 0.00 N ATOM 748 CA GLU A 48 9.554 -9.329 11.979 1.00 0.00 C ATOM 749 C GLU A 48 10.762 -8.778 12.731 1.00 0.00 C ATOM 750 O GLU A 48 10.651 -7.804 13.474 1.00 0.00 O ATOM 751 CB GLU A 48 8.292 -8.570 12.393 1.00 0.00 C ATOM 752 CG GLU A 48 8.086 -7.271 11.633 1.00 0.00 C ATOM 753 CD GLU A 48 7.325 -6.237 12.439 1.00 0.00 C ATOM 754 OE1 GLU A 48 7.602 -6.106 13.650 1.00 0.00 O ATOM 755 OE2 GLU A 48 6.452 -5.558 11.859 1.00 0.00 O ATOM 0 H GLU A 48 9.320 -11.328 11.388 1.00 0.00 H new ATOM 0 HA GLU A 48 9.719 -9.190 10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.425 -9.212 12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.342 -8.353 13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.056 -6.863 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.544 -7.477 10.710 1.00 0.00 H new ATOM 762 N GLU A 49 11.914 -9.411 12.532 1.00 0.00 N ATOM 763 CA GLU A 49 13.142 -8.984 13.193 1.00 0.00 C ATOM 764 C GLU A 49 13.860 -7.917 12.371 1.00 0.00 C ATOM 765 O GLU A 49 14.584 -7.083 12.914 1.00 0.00 O ATOM 766 CB GLU A 49 14.070 -10.181 13.415 1.00 0.00 C ATOM 767 CG GLU A 49 14.417 -10.927 12.138 1.00 0.00 C ATOM 768 CD GLU A 49 15.241 -12.174 12.396 1.00 0.00 C ATOM 769 OE1 GLU A 49 15.147 -12.727 13.511 1.00 0.00 O ATOM 770 OE2 GLU A 49 15.981 -12.595 11.482 1.00 0.00 O ATOM 0 H GLU A 49 12.023 -10.220 11.920 1.00 0.00 H new ATOM 0 HA GLU A 49 12.874 -8.555 14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.990 -9.834 13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.597 -10.872 14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.498 -11.204 11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.968 -10.263 11.472 1.00 0.00 H new ATOM 777 N SER A 50 13.653 -7.950 11.058 1.00 0.00 N ATOM 778 CA SER A 50 14.283 -6.989 10.161 1.00 0.00 C ATOM 779 C SER A 50 13.577 -6.966 8.808 1.00 0.00 C ATOM 780 O SER A 50 13.110 -7.996 8.321 1.00 0.00 O ATOM 781 CB SER A 50 15.762 -7.330 9.971 1.00 0.00 C ATOM 782 OG SER A 50 16.391 -6.405 9.102 1.00 0.00 O ATOM 0 H SER A 50 13.054 -8.632 10.592 1.00 0.00 H new ATOM 0 HA SER A 50 14.201 -6.000 10.612 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.266 -7.327 10.937 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.857 -8.337 9.565 1.00 0.00 H new ATOM 0 HG SER A 50 17.336 -6.644 8.998 1.00 0.00 H new ATOM 788 N ILE A 51 13.502 -5.783 8.208 1.00 0.00 N ATOM 789 CA ILE A 51 12.854 -5.624 6.912 1.00 0.00 C ATOM 790 C ILE A 51 13.853 -5.800 5.773 1.00 0.00 C ATOM 791 O ILE A 51 14.926 -5.195 5.775 1.00 0.00 O ATOM 792 CB ILE A 51 12.183 -4.244 6.783 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.136 -4.058 7.883 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.548 -4.090 5.409 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.815 -2.608 8.172 1.00 0.00 C ATOM 0 H ILE A 51 13.882 -4.921 8.598 1.00 0.00 H new ATOM 0 HA ILE A 51 12.089 -6.398 6.845 1.00 0.00 H new ATOM 0 HB ILE A 51 12.945 -3.473 6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.221 -4.574 7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.493 -4.532 8.797 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.078 -3.110 5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.315 -4.185 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.795 -4.865 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.066 -2.552 8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.720 -2.092 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.428 -2.134 7.270 1.00 0.00 H new ATOM 807 N LEU A 52 13.493 -6.630 4.800 1.00 0.00 N ATOM 808 CA LEU A 52 14.356 -6.884 3.652 1.00 0.00 C ATOM 809 C LEU A 52 14.136 -5.839 2.563 1.00 0.00 C ATOM 810 O LEU A 52 15.084 -5.387 1.921 1.00 0.00 O ATOM 811 CB LEU A 52 14.095 -8.283 3.092 1.00 0.00 C ATOM 812 CG LEU A 52 14.180 -9.434 4.095 1.00 0.00 C ATOM 813 CD1 LEU A 52 15.521 -9.419 4.813 1.00 0.00 C ATOM 814 CD2 LEU A 52 13.037 -9.354 5.096 1.00 0.00 C ATOM 0 H LEU A 52 12.609 -7.139 4.783 1.00 0.00 H new ATOM 0 HA LEU A 52 15.391 -6.821 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.103 -8.293 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.810 -8.471 2.292 1.00 0.00 H new ATOM 0 HG LEU A 52 14.094 -10.373 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.563 -10.245 5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.325 -9.525 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.637 -8.476 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.113 -10.181 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.092 -8.409 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.086 -9.415 4.568 1.00 0.00 H new ATOM 826 N GLY A 53 12.878 -5.457 2.361 1.00 0.00 N ATOM 827 CA GLY A 53 12.557 -4.466 1.351 1.00 0.00 C ATOM 828 C GLY A 53 11.307 -3.678 1.689 1.00 0.00 C ATOM 829 O GLY A 53 10.513 -4.092 2.533 1.00 0.00 O ATOM 0 H GLY A 53 12.076 -5.816 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.397 -3.780 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.421 -4.962 0.390 1.00 0.00 H new ATOM 833 N SER A 54 11.133 -2.536 1.031 1.00 0.00 N ATOM 834 CA SER A 54 9.974 -1.684 1.271 1.00 0.00 C ATOM 835 C SER A 54 9.112 -1.574 0.016 1.00 0.00 C ATOM 836 O SER A 54 9.628 -1.512 -1.100 1.00 0.00 O ATOM 837 CB SER A 54 10.422 -0.292 1.719 1.00 0.00 C ATOM 838 OG SER A 54 10.878 0.476 0.619 1.00 0.00 O ATOM 0 H SER A 54 11.780 -2.180 0.328 1.00 0.00 H new ATOM 0 HA SER A 54 9.378 -2.138 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.593 0.221 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.218 -0.383 2.458 1.00 0.00 H new ATOM 0 HG SER A 54 11.157 1.362 0.932 1.00 0.00 H new ATOM 844 N ILE A 55 7.798 -1.551 0.210 1.00 0.00 N ATOM 845 CA ILE A 55 6.864 -1.447 -0.905 1.00 0.00 C ATOM 846 C ILE A 55 5.945 -0.242 -0.741 1.00 0.00 C ATOM 847 O ILE A 55 5.013 -0.245 0.064 1.00 0.00 O ATOM 848 CB ILE A 55 6.006 -2.719 -1.040 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.901 -3.955 -1.153 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.087 -2.611 -2.248 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.170 -5.255 -0.901 1.00 0.00 C ATOM 0 H ILE A 55 7.356 -1.603 1.128 1.00 0.00 H new ATOM 0 HA ILE A 55 7.462 -1.324 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 55 5.390 -2.821 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.343 -3.983 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.722 -3.865 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.487 -3.517 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.430 -1.750 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.686 -2.489 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.866 -6.088 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.750 -5.247 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.366 -5.367 -1.628 1.00 0.00 H new ATOM 863 N PRO A 56 6.210 0.815 -1.523 1.00 0.00 N ATOM 864 CA PRO A 56 5.416 2.047 -1.485 1.00 0.00 C ATOM 865 C PRO A 56 4.015 1.852 -2.056 1.00 0.00 C ATOM 866 O PRO A 56 3.842 1.231 -3.106 1.00 0.00 O ATOM 867 CB PRO A 56 6.219 3.014 -2.359 1.00 0.00 C ATOM 868 CG PRO A 56 6.991 2.137 -3.284 1.00 0.00 C ATOM 869 CD PRO A 56 7.304 0.889 -2.506 1.00 0.00 C ATOM 0 HA PRO A 56 5.261 2.400 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.563 3.689 -2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.882 3.635 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.411 1.905 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.905 2.629 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.326 0.009 -3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.277 0.952 -2.020 1.00 0.00 H new ATOM 877 N LEU A 57 3.018 2.385 -1.359 1.00 0.00 N ATOM 878 CA LEU A 57 1.631 2.270 -1.797 1.00 0.00 C ATOM 879 C LEU A 57 0.947 3.633 -1.802 1.00 0.00 C ATOM 880 O LEU A 57 -0.094 3.819 -1.170 1.00 0.00 O ATOM 881 CB LEU A 57 0.867 1.306 -0.888 1.00 0.00 C ATOM 882 CG LEU A 57 1.151 -0.182 -1.097 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.347 -1.022 -0.116 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.838 -0.588 -2.530 1.00 0.00 C ATOM 0 H LEU A 57 3.144 2.901 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 57 1.628 1.879 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.096 1.557 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.201 1.475 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 57 2.211 -0.360 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.562 -2.078 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.619 -0.750 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.717 -0.841 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.046 -1.650 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.214 -0.395 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.458 -0.010 -3.216 1.00 0.00 H new ATOM 896 N LEU A 58 1.536 4.583 -2.520 1.00 0.00 N ATOM 897 CA LEU A 58 0.982 5.929 -2.609 1.00 0.00 C ATOM 898 C LEU A 58 -0.197 5.969 -3.575 1.00 0.00 C ATOM 899 O LEU A 58 -1.343 6.150 -3.164 1.00 0.00 O ATOM 900 CB LEU A 58 2.060 6.916 -3.062 1.00 0.00 C ATOM 901 CG LEU A 58 1.593 8.349 -3.318 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.516 8.746 -2.320 1.00 0.00 C ATOM 903 CD2 LEU A 58 2.768 9.314 -3.249 1.00 0.00 C ATOM 0 H LEU A 58 2.397 4.446 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 58 0.627 6.216 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.843 6.940 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.513 6.534 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 58 1.167 8.398 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.196 9.769 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.336 8.074 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.916 8.680 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.416 10.329 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.224 9.262 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.506 9.043 -4.004 1.00 0.00 H new ATOM 915 N SER A 59 0.091 5.797 -4.861 1.00 0.00 N ATOM 916 CA SER A 59 -0.946 5.816 -5.886 1.00 0.00 C ATOM 917 C SER A 59 -0.892 4.550 -6.737 1.00 0.00 C ATOM 918 O SER A 59 -1.307 4.548 -7.896 1.00 0.00 O ATOM 919 CB SER A 59 -0.790 7.049 -6.778 1.00 0.00 C ATOM 920 OG SER A 59 0.422 7.000 -7.510 1.00 0.00 O ATOM 0 H SER A 59 1.034 5.643 -5.218 1.00 0.00 H new ATOM 0 HA SER A 59 -1.914 5.858 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.632 7.112 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.812 7.950 -6.165 1.00 0.00 H new ATOM 0 HG SER A 59 1.093 6.500 -6.999 1.00 0.00 H new ATOM 926 N PHE A 60 -0.376 3.474 -6.152 1.00 0.00 N ATOM 927 CA PHE A 60 -0.266 2.201 -6.854 1.00 0.00 C ATOM 928 C PHE A 60 -1.641 1.692 -7.278 1.00 0.00 C ATOM 929 O PHE A 60 -2.664 2.297 -6.957 1.00 0.00 O ATOM 930 CB PHE A 60 0.423 1.162 -5.967 1.00 0.00 C ATOM 931 CG PHE A 60 1.920 1.167 -6.090 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.648 2.310 -5.803 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.599 0.028 -6.492 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.026 2.317 -5.916 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.976 0.029 -6.607 1.00 0.00 C ATOM 936 CZ PHE A 60 4.691 1.175 -6.317 1.00 0.00 C ATOM 0 H PHE A 60 -0.027 3.458 -5.194 1.00 0.00 H new ATOM 0 HA PHE A 60 0.335 2.360 -7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.151 1.346 -4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.049 0.171 -6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.134 3.206 -5.487 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.045 -0.871 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.582 3.215 -5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.493 -0.865 -6.923 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.768 1.178 -6.404 1.00 0.00 H new ATOM 946 N ARG A 61 -1.656 0.578 -8.002 1.00 0.00 N ATOM 947 CA ARG A 61 -2.904 -0.012 -8.471 1.00 0.00 C ATOM 948 C ARG A 61 -2.986 -1.487 -8.090 1.00 0.00 C ATOM 949 O ARG A 61 -2.460 -2.351 -8.793 1.00 0.00 O ATOM 950 CB ARG A 61 -3.026 0.142 -9.988 1.00 0.00 C ATOM 951 CG ARG A 61 -4.272 -0.508 -10.568 1.00 0.00 C ATOM 952 CD ARG A 61 -4.463 -0.140 -12.031 1.00 0.00 C ATOM 953 NE ARG A 61 -5.867 -0.190 -12.429 1.00 0.00 N ATOM 954 CZ ARG A 61 -6.297 0.124 -13.646 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.437 0.508 -14.579 1.00 0.00 N ATOM 956 NH2 ARG A 61 -7.591 0.053 -13.932 1.00 0.00 N ATOM 0 H ARG A 61 -0.818 0.066 -8.277 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.729 0.515 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.030 1.203 -10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.146 -0.293 -10.461 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.197 -1.591 -10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.146 -0.196 -9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.072 0.862 -12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.885 -0.822 -12.655 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.555 -0.482 -11.735 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.442 0.563 -14.363 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.771 0.748 -15.512 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.256 -0.243 -13.217 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.921 0.294 -14.867 1.00 0.00 H new ATOM 970 N VAL A 62 -3.648 -1.769 -6.973 1.00 0.00 N ATOM 971 CA VAL A 62 -3.799 -3.139 -6.498 1.00 0.00 C ATOM 972 C VAL A 62 -5.142 -3.723 -6.925 1.00 0.00 C ATOM 973 O VAL A 62 -6.191 -3.121 -6.701 1.00 0.00 O ATOM 974 CB VAL A 62 -3.681 -3.218 -4.965 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.444 -4.654 -4.521 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.568 -2.308 -4.469 1.00 0.00 C ATOM 0 H VAL A 62 -4.089 -1.066 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.994 -3.721 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.620 -2.878 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.363 -4.690 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.278 -5.277 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.521 -5.025 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.499 -2.376 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.621 -2.616 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.785 -1.279 -4.755 1.00 0.00 H new ATOM 986 N ALA A 63 -5.100 -4.900 -7.540 1.00 0.00 N ATOM 987 CA ALA A 63 -6.313 -5.568 -7.995 1.00 0.00 C ATOM 988 C ALA A 63 -6.026 -7.007 -8.410 1.00 0.00 C ATOM 989 O ALA A 63 -4.886 -7.466 -8.342 1.00 0.00 O ATOM 990 CB ALA A 63 -6.937 -4.798 -9.149 1.00 0.00 C ATOM 0 H ALA A 63 -4.239 -5.411 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.018 -5.592 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.842 -5.308 -9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.188 -3.790 -8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.229 -4.744 -9.976 1.00 0.00 H new ATOM 996 N ALA A 64 -7.066 -7.713 -8.839 1.00 0.00 N ATOM 997 CA ALA A 64 -6.925 -9.099 -9.266 1.00 0.00 C ATOM 998 C ALA A 64 -6.118 -9.197 -10.557 1.00 0.00 C ATOM 999 O ALA A 64 -6.213 -8.331 -11.427 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.294 -9.738 -9.448 1.00 0.00 C ATOM 0 H ALA A 64 -8.016 -7.348 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.385 -9.639 -8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.173 -10.773 -9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.837 -9.711 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.854 -9.188 -10.204 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.323 -10.256 -10.674 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.500 -10.466 -11.859 1.00 0.00 C ATOM 1008 C VAL A 65 -5.358 -10.826 -13.067 1.00 0.00 C ATOM 1009 O VAL A 65 -6.585 -10.860 -12.981 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.461 -11.580 -11.630 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.369 -11.105 -10.684 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.134 -12.834 -11.093 1.00 0.00 C ATOM 0 H VAL A 65 -5.232 -10.981 -9.963 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.979 -9.528 -12.054 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.999 -11.824 -12.587 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.644 -11.905 -10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.868 -10.237 -11.113 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.811 -10.832 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.385 -13.611 -10.937 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.624 -12.607 -10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.876 -13.184 -11.810 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.702 -11.096 -14.191 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.405 -11.454 -15.417 1.00 0.00 C ATOM 1024 C GLN A 66 -4.821 -12.723 -16.030 1.00 0.00 C ATOM 1025 O GLN A 66 -3.727 -13.165 -15.676 1.00 0.00 O ATOM 1026 CB GLN A 66 -5.332 -10.307 -16.426 1.00 0.00 C ATOM 1027 CG GLN A 66 -6.538 -9.382 -16.384 1.00 0.00 C ATOM 1028 CD GLN A 66 -7.841 -10.130 -16.177 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -8.498 -10.532 -17.137 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -8.220 -10.322 -14.919 1.00 0.00 N ATOM 0 H GLN A 66 -3.686 -11.074 -14.278 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.449 -11.641 -15.165 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.431 -9.724 -16.236 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.238 -10.722 -17.429 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.408 -8.658 -15.580 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.591 -8.818 -17.315 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.644 -9.971 -14.154 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.087 -10.820 -14.718 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.564 -13.324 -16.970 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.139 -14.550 -17.652 1.00 0.00 C ATOM 1041 C PRO A 67 -3.964 -14.313 -18.594 1.00 0.00 C ATOM 1042 O PRO A 67 -3.329 -15.258 -19.060 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.382 -14.966 -18.442 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.136 -13.699 -18.657 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.877 -12.852 -17.441 1.00 0.00 C ATOM 0 HA PRO A 67 -4.791 -15.307 -16.949 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.111 -15.431 -19.390 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.978 -15.692 -17.889 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.801 -13.194 -19.563 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.202 -13.894 -18.777 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.858 -11.790 -17.687 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.649 -12.989 -16.684 1.00 0.00 H new ATOM 1053 N SER A 68 -3.680 -13.044 -18.869 1.00 0.00 N ATOM 1054 CA SER A 68 -2.582 -12.682 -19.758 1.00 0.00 C ATOM 1055 C SER A 68 -1.374 -12.200 -18.962 1.00 0.00 C ATOM 1056 O SER A 68 -0.460 -11.583 -19.510 1.00 0.00 O ATOM 1057 CB SER A 68 -3.028 -11.594 -20.737 1.00 0.00 C ATOM 1058 OG SER A 68 -2.052 -11.380 -21.741 1.00 0.00 O ATOM 0 H SER A 68 -4.195 -12.250 -18.489 1.00 0.00 H new ATOM 0 HA SER A 68 -2.294 -13.571 -20.319 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.973 -11.881 -21.199 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.207 -10.665 -20.196 1.00 0.00 H new ATOM 0 HG SER A 68 -1.160 -11.372 -21.334 1.00 0.00 H new ATOM 1144 N LYS A 74 -5.049 -18.754 -8.362 1.00 0.00 N ATOM 1145 CA LYS A 74 -6.268 -18.113 -7.883 1.00 0.00 C ATOM 1146 C LYS A 74 -5.990 -17.272 -6.641 1.00 0.00 C ATOM 1147 O LYS A 74 -4.995 -17.484 -5.946 1.00 0.00 O ATOM 1148 CB LYS A 74 -7.333 -19.167 -7.570 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.837 -19.905 -8.798 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.800 -19.052 -9.606 1.00 0.00 C ATOM 1151 CE LYS A 74 -10.090 -18.793 -8.843 1.00 0.00 C ATOM 1152 NZ LYS A 74 -9.996 -17.575 -7.991 1.00 0.00 N ATOM 0 HA LYS A 74 -6.636 -17.455 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.921 -19.890 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.176 -18.684 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.992 -20.192 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.334 -20.825 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.326 -18.102 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.027 -19.551 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.913 -18.680 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.322 -19.656 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.165 -17.832 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.048 -17.158 -8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.710 -16.882 -8.295 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.874 -16.318 -6.367 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.724 -15.447 -5.207 1.00 0.00 C ATOM 1168 C HIS A 75 -5.412 -14.670 -5.278 1.00 0.00 C ATOM 1169 O HIS A 75 -4.762 -14.434 -4.258 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.777 -16.266 -3.918 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.631 -17.492 -4.021 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.761 -17.557 -4.808 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.514 -18.705 -3.431 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.303 -18.757 -4.698 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.565 -19.473 -3.868 1.00 0.00 N ATOM 0 H HIS A 75 -7.702 -16.129 -6.932 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.549 -14.734 -5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.764 -16.561 -3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.155 -15.636 -3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.739 -19.011 -2.745 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.197 -19.095 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.747 -20.439 -3.596 1.00 0.00 H new ATOM 1184 N THR A 76 -5.027 -14.276 -6.488 1.00 0.00 N ATOM 1185 CA THR A 76 -3.793 -13.529 -6.691 1.00 0.00 C ATOM 1186 C THR A 76 -4.078 -12.136 -7.241 1.00 0.00 C ATOM 1187 O THR A 76 -4.955 -11.959 -8.087 1.00 0.00 O ATOM 1188 CB THR A 76 -2.843 -14.264 -7.655 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.666 -15.620 -7.229 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.492 -13.567 -7.720 1.00 0.00 C ATOM 0 H THR A 76 -5.553 -14.462 -7.342 1.00 0.00 H new ATOM 0 HA THR A 76 -3.313 -13.441 -5.716 1.00 0.00 H new ATOM 0 HB THR A 76 -3.289 -14.251 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.062 -16.081 -7.848 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.838 -14.104 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.627 -12.544 -8.072 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.042 -13.552 -6.727 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.332 -11.149 -6.756 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.505 -9.770 -7.199 1.00 0.00 C ATOM 1200 C PHE A 77 -2.164 -9.148 -7.576 1.00 0.00 C ATOM 1201 O PHE A 77 -1.109 -9.604 -7.135 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.176 -8.940 -6.103 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.589 -9.163 -4.739 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.919 -10.290 -4.004 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.708 -8.245 -4.191 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.380 -10.498 -2.748 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.166 -8.448 -2.936 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.503 -9.575 -2.213 1.00 0.00 C ATOM 0 H PHE A 77 -2.602 -11.278 -6.056 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.144 -9.776 -8.082 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.094 -7.883 -6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.239 -9.180 -6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.605 -11.014 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.442 -7.361 -4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.644 -11.381 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.479 -7.725 -2.521 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.082 -9.734 -1.231 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.213 -8.102 -8.394 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.004 -7.414 -8.831 1.00 0.00 C ATOM 1220 C LYS A 78 -1.042 -5.942 -8.435 1.00 0.00 C ATOM 1221 O LYS A 78 -2.114 -5.369 -8.242 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.840 -7.541 -10.347 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.991 -6.943 -11.136 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.591 -6.649 -12.572 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.487 -5.590 -13.196 1.00 0.00 C ATOM 1226 NZ LYS A 78 -1.996 -5.166 -14.536 1.00 0.00 N ATOM 0 H LYS A 78 -3.078 -7.712 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.152 -7.882 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.087 -7.052 -10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.742 -8.595 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.836 -7.632 -11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.324 -6.023 -10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.555 -6.312 -12.600 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.645 -7.565 -13.160 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.501 -5.980 -13.288 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.538 -4.723 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.634 -4.444 -14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.039 -4.770 -14.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.972 -5.988 -15.173 1.00 0.00 H new ATOM 1240 N ALA A 79 0.134 -5.335 -8.317 1.00 0.00 N ATOM 1241 CA ALA A 79 0.234 -3.928 -7.948 1.00 0.00 C ATOM 1242 C ALA A 79 1.127 -3.167 -8.922 1.00 0.00 C ATOM 1243 O ALA A 79 2.314 -3.464 -9.052 1.00 0.00 O ATOM 1244 CB ALA A 79 0.763 -3.792 -6.528 1.00 0.00 C ATOM 0 H ALA A 79 1.031 -5.795 -8.472 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.764 -3.493 -7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.833 -2.736 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.085 -4.294 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.751 -4.248 -6.462 1.00 0.00 H new ATOM 1250 N GLU A 80 0.547 -2.184 -9.605 1.00 0.00 N ATOM 1251 CA GLU A 80 1.292 -1.382 -10.568 1.00 0.00 C ATOM 1252 C GLU A 80 1.284 0.091 -10.171 1.00 0.00 C ATOM 1253 O GLU A 80 0.293 0.599 -9.644 1.00 0.00 O ATOM 1254 CB GLU A 80 0.699 -1.547 -11.969 1.00 0.00 C ATOM 1255 CG GLU A 80 1.071 -0.425 -12.923 1.00 0.00 C ATOM 1256 CD GLU A 80 1.050 -0.863 -14.375 1.00 0.00 C ATOM 1257 OE1 GLU A 80 0.027 -1.435 -14.806 1.00 0.00 O ATOM 1258 OE2 GLU A 80 2.055 -0.633 -15.079 1.00 0.00 O ATOM 0 H GLU A 80 -0.435 -1.925 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 80 2.324 -1.733 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.036 -2.495 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.387 -1.601 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.379 0.406 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.066 -0.055 -12.673 1.00 0.00 H new ATOM 1265 N HIS A 81 2.397 0.773 -10.426 1.00 0.00 N ATOM 1266 CA HIS A 81 2.519 2.188 -10.095 1.00 0.00 C ATOM 1267 C HIS A 81 2.881 3.006 -11.331 1.00 0.00 C ATOM 1268 O HIS A 81 3.190 2.451 -12.385 1.00 0.00 O ATOM 1269 CB HIS A 81 3.575 2.390 -9.008 1.00 0.00 C ATOM 1270 CG HIS A 81 3.598 3.778 -8.445 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.761 4.489 -8.243 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.589 4.586 -8.042 1.00 0.00 C ATOM 1273 CE1 HIS A 81 4.468 5.675 -7.739 1.00 0.00 C ATOM 1274 NE2 HIS A 81 3.156 5.758 -7.607 1.00 0.00 N ATOM 0 H HIS A 81 3.226 0.368 -10.861 1.00 0.00 H new ATOM 0 HA HIS A 81 1.554 2.533 -9.722 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.392 1.682 -8.200 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.557 2.157 -9.420 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.701 4.152 -8.450 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.535 4.352 -8.060 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.179 6.445 -7.479 1.00 0.00 H new ATOM 1316 N ARG A 85 7.009 -0.020 -11.275 1.00 0.00 N ATOM 1317 CA ARG A 85 7.190 -1.460 -11.128 1.00 0.00 C ATOM 1318 C ARG A 85 5.848 -2.159 -10.932 1.00 0.00 C ATOM 1319 O ARG A 85 4.898 -1.571 -10.413 1.00 0.00 O ATOM 1320 CB ARG A 85 8.112 -1.761 -9.946 1.00 0.00 C ATOM 1321 CG ARG A 85 8.768 -3.131 -10.018 1.00 0.00 C ATOM 1322 CD ARG A 85 9.990 -3.116 -10.922 1.00 0.00 C ATOM 1323 NE ARG A 85 10.394 -4.462 -11.319 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.386 -4.712 -12.166 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.072 -3.712 -12.703 1.00 0.00 N ATOM 1326 NH2 ARG A 85 11.694 -5.965 -12.478 1.00 0.00 N ATOM 0 HA ARG A 85 7.647 -1.839 -12.042 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.889 -0.998 -9.899 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.539 -1.690 -9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.058 -3.450 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.049 -3.861 -10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.775 -2.525 -11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.816 -2.627 -10.406 1.00 0.00 H new ATOM 0 HE ARG A 85 9.886 -5.254 -10.924 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.838 -2.748 -12.466 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.833 -3.907 -13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.169 -6.737 -12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.456 -6.156 -13.129 1.00 0.00 H new ATOM 1340 N THR A 86 5.776 -3.419 -11.351 1.00 0.00 N ATOM 1341 CA THR A 86 4.552 -4.198 -11.223 1.00 0.00 C ATOM 1342 C THR A 86 4.754 -5.393 -10.298 1.00 0.00 C ATOM 1343 O THR A 86 5.315 -6.413 -10.699 1.00 0.00 O ATOM 1344 CB THR A 86 4.061 -4.702 -12.593 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.298 -3.707 -13.595 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.578 -5.039 -12.547 1.00 0.00 C ATOM 0 H THR A 86 6.552 -3.921 -11.782 1.00 0.00 H new ATOM 0 HA THR A 86 3.799 -3.535 -10.796 1.00 0.00 H new ATOM 0 HB THR A 86 4.615 -5.607 -12.842 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.985 -4.036 -14.463 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.255 -5.393 -13.526 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.405 -5.818 -11.804 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.011 -4.148 -12.278 1.00 0.00 H new ATOM 1354 N TYR A 87 4.293 -5.260 -9.059 1.00 0.00 N ATOM 1355 CA TYR A 87 4.425 -6.329 -8.076 1.00 0.00 C ATOM 1356 C TYR A 87 3.289 -7.338 -8.213 1.00 0.00 C ATOM 1357 O TYR A 87 2.291 -7.080 -8.886 1.00 0.00 O ATOM 1358 CB TYR A 87 4.440 -5.749 -6.660 1.00 0.00 C ATOM 1359 CG TYR A 87 5.695 -4.971 -6.338 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.923 -3.719 -6.897 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.654 -5.487 -5.475 1.00 0.00 C ATOM 1362 CE1 TYR A 87 7.069 -3.004 -6.605 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.802 -4.779 -5.177 1.00 0.00 C ATOM 1364 CZ TYR A 87 8.005 -3.538 -5.744 1.00 0.00 C ATOM 1365 OH TYR A 87 9.148 -2.830 -5.451 1.00 0.00 O ATOM 0 H TYR A 87 3.825 -4.423 -8.712 1.00 0.00 H new ATOM 0 HA TYR A 87 5.368 -6.844 -8.260 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.576 -5.097 -6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.332 -6.562 -5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.192 -3.298 -7.571 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.499 -6.459 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.231 -2.033 -7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.537 -5.195 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 87 9.702 -3.346 -4.829 1.00 0.00 H new ATOM 1375 N PHE A 88 3.449 -8.489 -7.568 1.00 0.00 N ATOM 1376 CA PHE A 88 2.438 -9.539 -7.617 1.00 0.00 C ATOM 1377 C PHE A 88 2.362 -10.283 -6.286 1.00 0.00 C ATOM 1378 O PHE A 88 3.381 -10.531 -5.641 1.00 0.00 O ATOM 1379 CB PHE A 88 2.749 -10.523 -8.747 1.00 0.00 C ATOM 1380 CG PHE A 88 2.407 -9.996 -10.111 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.149 -10.203 -10.654 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.345 -9.293 -10.851 1.00 0.00 C ATOM 1383 CE1 PHE A 88 0.832 -9.719 -11.909 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.033 -8.806 -12.106 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.775 -9.021 -12.636 1.00 0.00 C ATOM 0 H PHE A 88 4.269 -8.718 -7.006 1.00 0.00 H new ATOM 0 HA PHE A 88 1.472 -9.071 -7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.809 -10.774 -8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.198 -11.448 -8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.408 -10.749 -10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.330 -9.124 -10.442 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.152 -9.887 -12.320 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.772 -8.258 -12.672 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.530 -8.643 -13.618 1.00 0.00 H new ATOM 1395 N PHE A 89 1.147 -10.636 -5.881 1.00 0.00 N ATOM 1396 CA PHE A 89 0.936 -11.350 -4.627 1.00 0.00 C ATOM 1397 C PHE A 89 -0.135 -12.425 -4.787 1.00 0.00 C ATOM 1398 O PHE A 89 -1.166 -12.200 -5.421 1.00 0.00 O ATOM 1399 CB PHE A 89 0.533 -10.372 -3.521 1.00 0.00 C ATOM 1400 CG PHE A 89 1.459 -9.197 -3.393 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.726 -9.352 -2.855 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.063 -7.937 -3.813 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.580 -8.271 -2.735 1.00 0.00 C ATOM 1404 CE2 PHE A 89 1.912 -6.853 -3.696 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.173 -7.021 -3.158 1.00 0.00 C ATOM 0 H PHE A 89 0.293 -10.439 -6.403 1.00 0.00 H new ATOM 0 HA PHE A 89 1.873 -11.834 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.476 -10.009 -3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.501 -10.904 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.051 -10.328 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.079 -7.801 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.564 -8.404 -2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.590 -5.876 -4.025 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.840 -6.176 -3.068 1.00 0.00 H new ATOM 1415 N SER A 90 0.117 -13.594 -4.207 1.00 0.00 N ATOM 1416 CA SER A 90 -0.823 -14.706 -4.288 1.00 0.00 C ATOM 1417 C SER A 90 -1.279 -15.134 -2.896 1.00 0.00 C ATOM 1418 O SER A 90 -0.461 -15.349 -2.002 1.00 0.00 O ATOM 1419 CB SER A 90 -0.183 -15.890 -5.014 1.00 0.00 C ATOM 1420 OG SER A 90 -0.865 -17.097 -4.721 1.00 0.00 O ATOM 0 H SER A 90 0.964 -13.796 -3.676 1.00 0.00 H new ATOM 0 HA SER A 90 -1.695 -14.373 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.198 -15.712 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.863 -15.979 -4.720 1.00 0.00 H new ATOM 0 HG SER A 90 -0.437 -17.838 -5.198 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.591 -15.254 -2.721 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.157 -15.658 -1.440 1.00 0.00 C ATOM 1428 C ALA A 91 -3.564 -17.128 -1.459 1.00 0.00 C ATOM 1429 O ALA A 91 -4.045 -17.635 -2.472 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.351 -14.782 -1.091 1.00 0.00 C ATOM 0 H ALA A 91 -3.282 -15.077 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.391 -15.530 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.764 -15.095 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.033 -13.742 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.113 -14.881 -1.864 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.368 -17.806 -0.333 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.714 -19.218 -0.222 1.00 0.00 C ATOM 1438 C GLU A 92 -5.228 -19.406 -0.179 1.00 0.00 C ATOM 1439 O GLU A 92 -5.736 -20.500 -0.425 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.078 -19.825 1.030 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.580 -19.589 1.128 1.00 0.00 C ATOM 1442 CD GLU A 92 -0.909 -20.508 2.129 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.530 -20.805 3.171 1.00 0.00 O ATOM 1444 OE2 GLU A 92 0.238 -20.930 1.872 1.00 0.00 O ATOM 0 H GLU A 92 -2.972 -17.401 0.515 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.327 -19.731 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.562 -19.406 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.270 -20.898 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.128 -19.735 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.397 -18.553 1.412 1.00 0.00 H new ATOM 1451 N SER A 93 -5.943 -18.330 0.136 1.00 0.00 N ATOM 1452 CA SER A 93 -7.398 -18.376 0.216 1.00 0.00 C ATOM 1453 C SER A 93 -8.021 -17.220 -0.560 1.00 0.00 C ATOM 1454 O SER A 93 -7.437 -16.145 -0.698 1.00 0.00 O ATOM 1455 CB SER A 93 -7.851 -18.328 1.676 1.00 0.00 C ATOM 1456 OG SER A 93 -7.287 -19.395 2.420 1.00 0.00 O ATOM 0 H SER A 93 -5.538 -17.416 0.340 1.00 0.00 H new ATOM 0 HA SER A 93 -7.733 -19.313 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.558 -17.376 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.939 -18.381 1.725 1.00 0.00 H new ATOM 0 HG SER A 93 -7.590 -19.341 3.350 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.238 -17.444 -1.079 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.968 -16.434 -1.850 1.00 0.00 C ATOM 1464 C PRO A 94 -10.446 -15.275 -0.980 1.00 0.00 C ATOM 1465 O PRO A 94 -10.561 -14.143 -1.449 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.163 -17.210 -2.409 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.363 -18.337 -1.456 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.993 -18.702 -0.953 1.00 0.00 C ATOM 0 HA PRO A 94 -9.343 -15.976 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.051 -16.580 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.962 -17.575 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.015 -18.042 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.837 -19.186 -1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.024 -19.051 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.546 -19.500 -1.546 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.721 -15.567 0.287 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.186 -14.548 1.221 1.00 0.00 C ATOM 1478 C GLU A 95 -10.062 -13.578 1.572 1.00 0.00 C ATOM 1479 O GLU A 95 -10.311 -12.421 1.912 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.728 -15.200 2.494 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.713 -16.077 3.208 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.177 -16.502 4.588 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.052 -15.694 5.531 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -11.665 -17.644 4.723 1.00 0.00 O ATOM 0 H GLU A 95 -10.630 -16.500 0.690 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.988 -13.989 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.065 -14.420 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.601 -15.801 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.517 -16.964 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.770 -15.537 3.296 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.826 -14.058 1.487 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.663 -13.234 1.797 1.00 0.00 C ATOM 1493 C GLU A 96 -7.336 -12.297 0.638 1.00 0.00 C ATOM 1494 O GLU A 96 -7.102 -11.105 0.837 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.454 -14.116 2.112 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.400 -14.583 3.556 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.498 -15.787 3.748 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.397 -16.608 2.813 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.891 -15.906 4.833 1.00 0.00 O ATOM 0 H GLU A 96 -8.604 -15.013 1.206 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.900 -12.631 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.471 -14.988 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.543 -13.563 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.047 -13.766 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.407 -14.831 3.891 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.320 -12.846 -0.573 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.020 -12.060 -1.764 1.00 0.00 C ATOM 1508 C GLN A 97 -7.781 -10.739 -1.750 1.00 0.00 C ATOM 1509 O GLN A 97 -7.183 -9.669 -1.646 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.371 -12.851 -3.025 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.243 -12.043 -4.306 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.209 -12.497 -5.382 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.266 -13.056 -5.087 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.852 -12.259 -6.638 1.00 0.00 N ATOM 0 H GLN A 97 -7.511 -13.831 -0.755 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.952 -11.843 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.721 -13.723 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.393 -13.221 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.419 -10.990 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.223 -12.124 -4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.967 -11.793 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.463 -12.542 -7.404 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.104 -10.822 -1.856 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.946 -9.631 -1.857 1.00 0.00 C ATOM 1525 C GLU A 98 -9.614 -8.729 -0.671 1.00 0.00 C ATOM 1526 O GLU A 98 -9.210 -7.580 -0.846 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.424 -10.025 -1.814 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.878 -10.816 -3.029 1.00 0.00 C ATOM 1529 CD GLU A 98 -11.944 -9.970 -4.286 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -12.935 -9.227 -4.448 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -11.007 -10.051 -5.106 1.00 0.00 O ATOM 0 H GLU A 98 -9.615 -11.700 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.751 -9.079 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.608 -10.616 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.030 -9.123 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.194 -11.649 -3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.861 -11.245 -2.832 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.789 -9.259 0.535 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.507 -8.504 1.749 1.00 0.00 C ATOM 1540 C ALA A 99 -8.268 -7.632 1.578 1.00 0.00 C ATOM 1541 O ALA A 99 -8.250 -6.473 1.993 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.332 -9.448 2.929 1.00 0.00 C ATOM 0 H ALA A 99 -10.125 -10.208 0.697 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.356 -7.849 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.122 -8.870 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.246 -10.024 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.502 -10.127 2.732 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.233 -8.197 0.966 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.988 -7.470 0.742 1.00 0.00 C ATOM 1550 C TRP A 100 -6.174 -6.387 -0.315 1.00 0.00 C ATOM 1551 O TRP A 100 -5.896 -5.213 -0.069 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.881 -8.434 0.313 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.115 -9.009 1.465 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.273 -10.248 2.019 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -3.072 -8.367 2.207 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.392 -10.415 3.059 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.643 -9.275 3.194 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.458 -7.115 2.131 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.630 -8.968 4.098 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.452 -6.811 3.029 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -1.045 -7.734 4.002 1.00 0.00 C ATOM 0 H TRP A 100 -7.231 -9.155 0.616 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.701 -6.992 1.679 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.321 -9.248 -0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.190 -7.911 -0.349 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.986 -10.988 1.687 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.309 -11.251 3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.764 -6.397 1.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.317 -9.678 4.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.971 -5.845 2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.255 -7.467 4.689 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.644 -6.788 -1.492 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.867 -5.850 -2.585 1.00 0.00 C ATOM 1574 C ILE A 101 -7.541 -4.576 -2.087 1.00 0.00 C ATOM 1575 O ILE A 101 -7.351 -3.500 -2.653 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.732 -6.475 -3.695 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.937 -7.541 -4.452 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.227 -5.399 -4.650 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.766 -8.318 -5.450 1.00 0.00 C ATOM 0 H ILE A 101 -6.878 -7.756 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.887 -5.604 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.598 -6.952 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.109 -7.062 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.502 -8.236 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.837 -5.856 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.825 -4.672 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.374 -4.896 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.138 -9.056 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.579 -8.826 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.180 -7.634 -6.190 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.328 -4.706 -1.024 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.030 -3.565 -0.449 1.00 0.00 C ATOM 1593 C GLN A 102 -8.186 -2.895 0.631 1.00 0.00 C ATOM 1594 O GLN A 102 -7.924 -1.694 0.572 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.372 -4.006 0.136 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.186 -4.882 -0.803 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.680 -4.732 -0.592 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.125 -3.945 0.244 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.464 -5.490 -1.350 1.00 0.00 N ATOM 0 H GLN A 102 -8.495 -5.590 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.210 -2.842 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.194 -4.550 1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.956 -3.122 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.941 -4.628 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.905 -5.925 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.052 -6.129 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.478 -5.433 -1.252 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.765 -3.680 1.617 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.951 -3.163 2.710 1.00 0.00 C ATOM 1610 C ALA A 103 -5.774 -2.350 2.181 1.00 0.00 C ATOM 1611 O ALA A 103 -5.570 -1.204 2.579 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.455 -4.305 3.584 1.00 0.00 C ATOM 0 H ALA A 103 -7.974 -4.676 1.681 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.574 -2.502 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.848 -3.905 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.308 -4.843 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.853 -4.987 2.984 1.00 0.00 H new ATOM 1618 N MET A 104 -5.002 -2.952 1.282 1.00 0.00 N ATOM 1619 CA MET A 104 -3.845 -2.283 0.698 1.00 0.00 C ATOM 1620 C MET A 104 -4.271 -1.345 -0.428 1.00 0.00 C ATOM 1621 O MET A 104 -3.686 -0.279 -0.615 1.00 0.00 O ATOM 1622 CB MET A 104 -2.846 -3.313 0.168 1.00 0.00 C ATOM 1623 CG MET A 104 -3.176 -3.819 -1.227 1.00 0.00 C ATOM 1624 SD MET A 104 -2.620 -5.512 -1.501 1.00 0.00 S ATOM 1625 CE MET A 104 -0.941 -5.421 -0.885 1.00 0.00 C ATOM 0 H MET A 104 -5.157 -3.901 0.942 1.00 0.00 H new ATOM 0 HA MET A 104 -3.366 -1.692 1.479 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.850 -2.870 0.158 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.811 -4.160 0.854 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.253 -3.765 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 104 -2.713 -3.165 -1.966 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.377 -6.285 -1.237 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.469 -4.508 -1.248 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.953 -5.415 0.205 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.293 -1.750 -1.175 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.779 -0.935 -2.273 1.00 0.00 C ATOM 1637 C GLY A 105 -6.082 0.488 -1.848 1.00 0.00 C ATOM 1638 O GLY A 105 -5.592 1.441 -2.454 1.00 0.00 O ATOM 0 H GLY A 105 -5.793 -2.628 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.035 -0.923 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.681 -1.387 -2.686 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.893 0.633 -0.805 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.262 1.951 -0.302 1.00 0.00 C ATOM 1644 C GLU A 106 -6.024 2.811 -0.070 1.00 0.00 C ATOM 1645 O GLU A 106 -5.959 3.958 -0.512 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.058 1.821 0.998 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.190 1.579 2.221 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.004 1.379 3.485 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.487 0.249 3.707 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.158 2.353 4.251 1.00 0.00 O ATOM 0 H GLU A 106 -7.307 -0.145 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.885 2.437 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.640 2.730 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.768 1.000 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.567 0.700 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.517 2.425 2.357 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.043 2.249 0.629 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.806 2.963 0.920 1.00 0.00 C ATOM 1659 C ALA A 107 -3.253 3.636 -0.332 1.00 0.00 C ATOM 1660 O ALA A 107 -2.536 4.632 -0.247 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.774 2.012 1.509 1.00 0.00 C ATOM 0 H ALA A 107 -5.081 1.301 1.004 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.028 3.740 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.855 2.558 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.162 1.581 2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.565 1.215 0.796 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.591 3.084 -1.493 1.00 0.00 N ATOM 1668 CA ALA A 108 -3.129 3.632 -2.762 1.00 0.00 C ATOM 1669 C ALA A 108 -4.069 4.723 -3.263 1.00 0.00 C ATOM 1670 O ALA A 108 -3.633 5.701 -3.871 1.00 0.00 O ATOM 1671 CB ALA A 108 -3.000 2.526 -3.799 1.00 0.00 C ATOM 0 H ALA A 108 -4.183 2.258 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.148 4.080 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.654 2.950 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.283 1.782 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.970 2.052 -3.948 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.361 4.549 -3.006 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.363 5.518 -3.433 1.00 0.00 C ATOM 1679 C ARG A 109 -6.510 6.637 -2.406 1.00 0.00 C ATOM 1680 O ARG A 109 -6.173 6.466 -1.234 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.711 4.828 -3.648 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.562 4.748 -2.391 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.705 3.758 -2.554 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.668 3.849 -1.460 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.798 3.152 -1.416 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -12.104 2.317 -2.399 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.623 3.289 -0.386 1.00 0.00 N ATOM 0 H ARG A 109 -5.739 3.746 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.032 5.955 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.265 5.364 -4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.538 3.820 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.939 4.451 -1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.964 5.734 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.213 3.943 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.304 2.746 -2.601 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.462 4.482 -0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.471 2.209 -3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.972 1.783 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.390 3.930 0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.491 2.754 -0.353 1.00 0.00 H new