USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1188 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 154 GLN : amide:sc= 0.077 X(o=0.15,f=-0.048) USER MOD Set 1.2: A 158 LYS NZ :NH3+ -132:sc= 0.0739 (180deg=0) USER MOD Set 2.1: A 149 ASN : amide:sc= 2.04 K(o=3,f=-5.8!) USER MOD Set 2.2: A 151 LYS NZ :NH3+ -145:sc= 0.994 (180deg=0) USER MOD Set 3.1: A 120 HIS : no HE2:sc= 0.12 K(o=0.32,f=-4.9!) USER MOD Set 3.2: A 124 HIS : no HD1:sc= 0.204 K(o=0.32,f=-2.6) USER MOD Set 4.1: A 61 MET CE :methyl -154:sc= -0.0783 (180deg=-0.548) USER MOD Set 4.2: A 84 HIS : no HD1:sc= -0.871 X(o=-1.6,f=-2) USER MOD Set 4.3: A 97 HIS : no HE2:sc= -0.633 K(o=-1.6,f=-3.7) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= -0.0425 (180deg=-0.22) USER MOD Single : A 16 THR OG1 : rot -78:sc= 1.53 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 178:sc= 1.25 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 125:sc= 0.00922 USER MOD Single : A 28 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.76) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -179:sc= 0 (180deg=-0.00597) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.409 K(o=-0.41,f=-3.2) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.674 K(o=-0.67,f=-2.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0642 USER MOD Single : A 105 THR OG1 : rot 173:sc= 0.339 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.31 K(o=1.3,f=-6.5!) USER MOD Single : A 116 TYR OH : rot 30:sc= -0.0113 USER MOD Single : A 119 THR OG1 : rot 165:sc= 0.737 USER MOD Single : A 125 SER OG : rot -34:sc= 0.179 USER MOD Single : A 128 MET CE :methyl 172:sc= -0.457 (180deg=-0.596) USER MOD Single : A 130 HIS :FLIP no HD1:sc= -0.0374 F(o=-0.6,f=-0.037) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0.0344 X(o=0.034,f=0) USER MOD Single : A 138 MET CE :methyl 166:sc= 0 (180deg=-0.115) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 45:sc= 0.0985 USER MOD Single : A 144 ASN : amide:sc= -0.0768 X(o=-0.077,f=-0.077) USER MOD Single : A 148 GLN : amide:sc=-0.00572 K(o=-0.0057,f=-1.8!) USER MOD Single : A 153 SER OG : rot -174:sc= 0.203 USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot -40:sc= -0.121 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.457 2.771 8.075 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.900 2.113 6.907 1.00 0.36 C ATOM 111 C PRO A 8 -12.997 1.424 6.092 1.00 0.57 C ATOM 112 O PRO A 8 -14.087 1.184 6.613 1.00 -0.57 O ATOM 113 CB PRO A 8 -10.902 1.092 7.444 1.00 0.00 C ATOM 114 CG PRO A 8 -11.405 0.747 8.843 1.00 0.00 C ATOM 115 CD PRO A 8 -12.176 1.992 9.280 1.00 0.30 C ATOM 0 HA PRO A 8 -11.421 2.828 6.238 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -10.863 0.207 6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.894 1.505 7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.046 -0.135 8.830 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.580 0.531 9.521 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.102 1.714 9.783 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.591 2.578 9.989 1.00 0.30 H new ATOM 123 N LYS A 9 -12.659 1.030 4.853 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.532 0.359 3.891 1.00 0.36 C ATOM 125 C LYS A 9 -14.489 1.390 3.286 1.00 0.57 C ATOM 126 O LYS A 9 -15.485 1.768 3.902 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.288 -0.833 4.525 1.00 0.00 C ATOM 128 CG LYS A 9 -14.598 -1.935 3.505 1.00 0.00 C ATOM 129 CD LYS A 9 -15.928 -2.666 3.759 1.00 0.00 C ATOM 130 CE LYS A 9 -16.967 -2.237 2.711 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.328 -2.712 3.040 1.00 -0.85 N ATOM 0 H LYS A 9 -11.721 1.181 4.482 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.921 -0.069 3.096 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.690 -1.249 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.219 -0.477 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.621 -1.497 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.787 -2.663 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.775 -3.744 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.293 -2.438 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.973 -1.150 2.633 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.676 -2.625 1.735 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.993 -2.398 2.304 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.331 -3.751 3.088 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.619 -2.322 3.959 1.00 -0.85 H new ATOM 145 N TRP A 10 -14.165 1.874 2.083 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.964 2.868 1.377 1.00 0.36 C ATOM 147 C TRP A 10 -16.429 2.424 1.239 1.00 0.57 C ATOM 148 O TRP A 10 -16.744 1.232 1.241 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.330 3.166 0.011 1.00 0.18 C ATOM 150 CG TRP A 10 -12.840 3.351 0.033 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.927 2.384 -0.219 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -12.068 4.558 0.330 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.654 2.893 -0.071 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.685 4.249 0.167 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.383 5.887 0.700 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.684 5.223 0.270 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.378 6.861 0.859 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -10.033 6.533 0.622 1.00 -0.15 C ATOM 0 H TRP A 10 -13.333 1.581 1.571 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.973 3.787 1.963 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.570 2.350 -0.671 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.788 4.067 -0.397 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -12.161 1.366 -0.495 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.801 2.337 -0.130 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.415 6.160 0.864 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.652 4.966 0.080 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.642 7.863 1.164 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.268 7.290 0.711 1.00 -0.15 H new ATOM 169 N THR A 11 -17.329 3.407 1.119 1.00 -0.73 N ATOM 170 CA THR A 11 -18.769 3.184 1.057 1.00 0.36 C ATOM 171 C THR A 11 -19.193 2.582 -0.291 1.00 0.57 C ATOM 172 O THR A 11 -20.142 1.789 -0.333 1.00 -0.57 O ATOM 173 CB THR A 11 -19.484 4.519 1.357 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.948 5.562 0.552 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.319 4.896 2.836 1.00 0.00 C ATOM 0 H THR A 11 -17.069 4.392 1.062 1.00 -0.73 H new ATOM 0 HA THR A 11 -19.060 2.450 1.809 1.00 0.36 H new ATOM 0 HB THR A 11 -20.542 4.392 1.130 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.412 6.401 0.752 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.829 5.840 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.751 4.115 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.259 5.002 3.068 1.00 0.00 H new ATOM 183 N SER A 12 -18.460 2.923 -1.360 1.00 -0.73 N ATOM 184 CA SER A 12 -18.588 2.403 -2.720 1.00 0.36 C ATOM 185 C SER A 12 -17.655 1.201 -2.945 1.00 0.57 C ATOM 186 O SER A 12 -16.613 1.071 -2.301 1.00 -0.57 O ATOM 187 CB SER A 12 -18.250 3.550 -3.693 1.00 0.28 C ATOM 188 OG SER A 12 -18.494 3.202 -5.047 1.00 -0.68 O ATOM 0 H SER A 12 -17.714 3.615 -1.288 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.605 2.049 -2.890 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.842 4.428 -3.434 1.00 0.28 H new ATOM 0 HB3 SER A 12 -17.202 3.826 -3.575 1.00 0.28 H new ATOM 0 HG SER A 12 -18.267 3.960 -5.626 1.00 -0.68 H new ATOM 194 N LYS A 13 -18.017 0.344 -3.913 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.205 -0.785 -4.386 1.00 0.36 C ATOM 196 C LYS A 13 -16.108 -0.330 -5.363 1.00 0.57 C ATOM 197 O LYS A 13 -15.219 -1.121 -5.690 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.148 -1.824 -5.033 1.00 0.00 C ATOM 199 CG LYS A 13 -17.430 -3.076 -5.571 1.00 0.00 C ATOM 200 CD LYS A 13 -18.398 -4.154 -6.071 1.00 0.00 C ATOM 201 CE LYS A 13 -18.837 -5.087 -4.933 1.00 0.50 C ATOM 202 NZ LYS A 13 -18.416 -6.479 -5.190 1.00 -0.85 N ATOM 0 H LYS A 13 -18.909 0.421 -4.401 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.686 -1.237 -3.541 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -18.891 -2.132 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.688 -1.348 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.766 -2.785 -6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.804 -3.495 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.274 -3.681 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.920 -4.738 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.409 -4.743 -3.992 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -19.921 -5.047 -4.824 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -18.589 -7.056 -4.342 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -18.960 -6.864 -5.988 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -17.402 -6.498 -5.421 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.155 0.923 -5.831 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.118 1.492 -6.677 1.00 0.36 C ATOM 218 C VAL A 14 -14.496 2.661 -5.927 1.00 0.57 C ATOM 219 O VAL A 14 -15.194 3.380 -5.212 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.659 1.842 -8.082 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.732 2.941 -8.082 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.523 2.233 -9.042 1.00 0.00 C ATOM 0 H VAL A 14 -16.919 1.567 -5.628 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.330 0.766 -6.876 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.139 0.928 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.060 3.129 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.582 2.619 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.316 3.856 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.940 2.473 -10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.997 3.103 -8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.826 1.401 -9.139 1.00 0.00 H new ATOM 232 N VAL A 15 -13.191 2.844 -6.107 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.423 3.885 -5.443 1.00 0.36 C ATOM 234 C VAL A 15 -11.577 4.603 -6.499 1.00 0.57 C ATOM 235 O VAL A 15 -11.214 3.999 -7.516 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.620 3.221 -4.305 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.455 2.351 -4.793 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.051 4.259 -3.352 1.00 0.00 C ATOM 0 H VAL A 15 -12.631 2.262 -6.730 1.00 -0.73 H new ATOM 0 HA VAL A 15 -13.041 4.654 -4.979 1.00 0.36 H new ATOM 0 HB VAL A 15 -12.342 2.579 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.939 1.919 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.839 1.551 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.758 2.964 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.491 3.759 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.388 4.930 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.866 4.834 -2.911 1.00 0.00 H new ATOM 248 N THR A 16 -11.281 5.889 -6.293 1.00 -0.73 N ATOM 249 CA THR A 16 -10.573 6.680 -7.298 1.00 0.36 C ATOM 250 C THR A 16 -9.096 6.848 -6.913 1.00 0.57 C ATOM 251 O THR A 16 -8.797 6.936 -5.728 1.00 -0.57 O ATOM 252 CB THR A 16 -11.297 8.016 -7.536 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.313 8.810 -6.349 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.765 7.813 -7.929 1.00 0.00 C ATOM 0 H THR A 16 -11.520 6.401 -5.444 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.581 6.149 -8.250 1.00 0.36 H new ATOM 0 HB THR A 16 -10.748 8.506 -8.340 1.00 0.28 H new ATOM 0 HG1 THR A 16 -12.008 8.478 -5.743 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.237 8.783 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.818 7.229 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.285 7.282 -7.132 1.00 0.00 H new ATOM 262 N TYR A 17 -8.164 6.951 -7.871 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.742 7.179 -7.580 1.00 0.36 C ATOM 264 C TYR A 17 -6.184 8.376 -8.357 1.00 0.57 C ATOM 265 O TYR A 17 -6.733 8.758 -9.397 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.928 5.901 -7.846 1.00 0.14 C ATOM 267 CG TYR A 17 -5.838 5.479 -9.299 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -4.809 5.979 -10.123 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -6.745 4.532 -9.805 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -4.693 5.539 -11.454 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -6.650 4.102 -11.139 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.617 4.598 -11.966 1.00 0.08 C ATOM 273 OH TYR A 17 -5.494 4.140 -13.244 1.00 -0.53 O ATOM 0 H TYR A 17 -8.374 6.879 -8.867 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.652 7.426 -6.522 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.918 6.048 -7.465 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.369 5.084 -7.275 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -4.108 6.701 -9.731 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -7.518 4.133 -9.165 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -3.901 5.918 -12.083 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -7.365 3.394 -11.532 1.00 -0.15 H new ATOM 0 HH TYR A 17 -6.211 3.499 -13.432 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.078 8.959 -7.868 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.336 9.990 -8.600 1.00 0.36 C ATOM 285 C ARG A 18 -2.866 9.993 -8.197 1.00 0.57 C ATOM 286 O ARG A 18 -2.524 10.292 -7.057 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.922 11.401 -8.379 1.00 0.00 C ATOM 288 CG ARG A 18 -4.758 12.256 -9.651 1.00 0.00 C ATOM 289 CD ARG A 18 -4.384 13.724 -9.396 1.00 0.33 C ATOM 290 NE ARG A 18 -3.035 14.015 -9.930 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.308 15.127 -9.759 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.715 16.097 -8.938 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.158 15.251 -10.422 1.00 -0.97 N ATOM 0 H ARG A 18 -4.677 8.729 -6.959 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.428 9.742 -9.657 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.977 11.326 -8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.419 11.884 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.991 11.804 -10.279 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.690 12.226 -10.215 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.117 14.379 -9.867 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -4.411 13.932 -8.326 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.608 13.282 -10.496 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -3.593 15.999 -8.428 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.148 16.937 -8.820 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -0.846 14.507 -11.046 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -0.590 16.090 -10.305 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.970 9.698 -9.126 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.546 9.758 -8.848 1.00 0.36 C ATOM 309 C ILE A 19 -0.143 11.254 -8.923 1.00 0.57 C ATOM 310 O ILE A 19 0.000 11.814 -10.008 1.00 -0.57 O ATOM 311 CB ILE A 19 0.182 8.765 -9.780 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.327 7.305 -9.622 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.670 8.764 -9.445 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.053 6.436 -10.856 1.00 0.00 C ATOM 0 H ILE A 19 -2.205 9.415 -10.077 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.251 9.427 -7.852 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.013 9.093 -10.801 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.150 6.852 -8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.399 7.319 -9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.190 8.065 -10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.076 9.765 -9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.809 8.461 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.432 5.429 -10.683 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.553 6.868 -11.723 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.021 6.393 -11.040 1.00 0.00 H new ATOM 326 N VAL A 20 -0.084 11.934 -7.763 1.00 -0.73 N ATOM 327 CA VAL A 20 0.187 13.373 -7.594 1.00 0.36 C ATOM 328 C VAL A 20 1.600 13.747 -8.045 1.00 0.57 C ATOM 329 O VAL A 20 1.845 14.859 -8.512 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.060 13.798 -6.113 1.00 0.00 C ATOM 331 CG1 VAL A 20 1.162 14.285 -5.303 1.00 0.00 C ATOM 332 CG2 VAL A 20 -1.122 14.905 -6.057 1.00 0.00 C ATOM 0 H VAL A 20 -0.233 11.467 -6.868 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.504 13.919 -8.236 1.00 0.36 H new ATOM 0 HB VAL A 20 -0.374 12.867 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.848 14.548 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.907 13.491 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.594 15.160 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.289 15.197 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.778 15.769 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.054 14.537 -6.485 1.00 0.00 H new ATOM 342 N SER A 21 2.525 12.817 -7.842 1.00 -0.73 N ATOM 343 CA SER A 21 3.946 12.891 -8.108 1.00 0.36 C ATOM 344 C SER A 21 4.323 11.445 -8.419 1.00 0.57 C ATOM 345 O SER A 21 3.577 10.532 -8.063 1.00 -0.57 O ATOM 346 CB SER A 21 4.670 13.470 -6.872 1.00 0.28 C ATOM 347 OG SER A 21 6.044 13.127 -6.829 1.00 -0.68 O ATOM 0 H SER A 21 2.270 11.910 -7.451 1.00 -0.73 H new ATOM 0 HA SER A 21 4.227 13.549 -8.931 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.571 14.556 -6.874 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.181 13.107 -5.968 1.00 0.28 H new ATOM 0 HG SER A 21 6.460 13.541 -6.044 1.00 -0.68 H new ATOM 353 N TYR A 22 5.473 11.226 -9.050 1.00 -0.73 N ATOM 354 CA TYR A 22 5.921 9.928 -9.532 1.00 0.36 C ATOM 355 C TYR A 22 7.398 9.791 -9.138 1.00 0.57 C ATOM 356 O TYR A 22 8.053 10.792 -8.843 1.00 -0.57 O ATOM 357 CB TYR A 22 5.726 9.840 -11.058 1.00 0.14 C ATOM 358 CG TYR A 22 4.295 9.942 -11.596 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.656 11.195 -11.736 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.623 8.784 -12.030 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.375 11.292 -12.320 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.356 8.874 -12.642 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.729 10.128 -12.805 1.00 0.08 C ATOM 364 OH TYR A 22 0.518 10.178 -13.438 1.00 -0.53 O ATOM 0 H TYR A 22 6.139 11.974 -9.245 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.345 9.114 -9.093 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.316 10.633 -11.519 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.146 8.893 -11.397 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.154 12.089 -11.392 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.083 7.816 -11.893 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 1.887 12.253 -12.397 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.862 7.978 -12.988 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.246 9.272 -13.695 1.00 -0.53 H new ATOM 374 N THR A 23 7.920 8.563 -9.126 1.00 -0.73 N ATOM 375 CA THR A 23 9.334 8.308 -8.844 1.00 0.36 C ATOM 376 C THR A 23 10.229 8.737 -10.029 1.00 0.57 C ATOM 377 O THR A 23 9.712 9.092 -11.096 1.00 -0.57 O ATOM 378 CB THR A 23 9.489 6.830 -8.423 1.00 0.28 C ATOM 379 OG1 THR A 23 10.738 6.592 -7.816 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.357 5.866 -9.597 1.00 0.00 C ATOM 0 H THR A 23 7.377 7.720 -9.311 1.00 -0.73 H new ATOM 0 HA THR A 23 9.681 8.920 -8.012 1.00 0.36 H new ATOM 0 HB THR A 23 8.680 6.650 -7.715 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.601 6.193 -6.932 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.475 4.842 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.374 5.981 -10.054 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.128 6.085 -10.336 1.00 0.00 H new ATOM 388 N ARG A 24 11.560 8.693 -9.859 1.00 -0.73 N ATOM 389 CA ARG A 24 12.542 9.039 -10.896 1.00 0.36 C ATOM 390 C ARG A 24 13.332 7.815 -11.337 1.00 0.57 C ATOM 391 O ARG A 24 13.592 7.680 -12.531 1.00 -0.57 O ATOM 392 CB ARG A 24 13.549 10.075 -10.358 1.00 0.00 C ATOM 393 CG ARG A 24 13.362 11.514 -10.831 1.00 0.00 C ATOM 394 CD ARG A 24 14.585 11.930 -11.649 1.00 0.33 C ATOM 395 NE ARG A 24 14.575 13.375 -11.888 1.00 -0.84 N ATOM 396 CZ ARG A 24 15.440 14.031 -12.668 1.00 1.20 C ATOM 397 NH1 ARG A 24 16.318 13.372 -13.429 1.00 -0.97 N ATOM 398 NH2 ARG A 24 15.401 15.362 -12.665 1.00 -0.97 N ATOM 0 H ARG A 24 11.991 8.410 -8.979 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.985 9.445 -11.741 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.501 10.065 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.552 9.752 -10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.458 11.598 -11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.237 12.178 -9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.496 11.649 -11.120 1.00 0.33 H new ATOM 0 HD3 ARG A 24 14.592 11.398 -12.600 1.00 0.33 H new ATOM 0 HE ARG A 24 13.852 13.924 -11.423 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.336 12.352 -13.421 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 16.971 13.889 -14.018 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 14.725 15.851 -12.079 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 16.048 15.892 -13.249 1.00 -0.97 H new ATOM 412 N ASP A 25 13.729 6.949 -10.396 1.00 -0.73 N ATOM 413 CA ASP A 25 14.560 5.777 -10.701 1.00 0.36 C ATOM 414 C ASP A 25 13.848 4.847 -11.691 1.00 0.57 C ATOM 415 O ASP A 25 14.487 4.272 -12.578 1.00 -0.57 O ATOM 416 CB ASP A 25 14.916 5.019 -9.401 1.00 0.06 C ATOM 417 CG ASP A 25 16.405 5.070 -9.024 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.830 4.171 -8.318 1.00 -0.57 O ATOM 419 OD2 ASP A 25 17.115 6.114 -9.444 1.00 -0.65 O ATOM 0 H ASP A 25 13.486 7.039 -9.410 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.484 6.122 -11.166 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.331 5.435 -8.580 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.617 3.977 -9.509 1.00 0.06 H new ATOM 425 N LEU A 26 12.516 4.764 -11.563 1.00 -0.73 N ATOM 426 CA LEU A 26 11.622 3.901 -12.328 1.00 0.36 C ATOM 427 C LEU A 26 10.623 4.789 -13.085 1.00 0.57 C ATOM 428 O LEU A 26 10.304 5.884 -12.616 1.00 -0.57 O ATOM 429 CB LEU A 26 10.860 2.956 -11.376 1.00 0.00 C ATOM 430 CG LEU A 26 11.728 2.145 -10.394 1.00 0.00 C ATOM 431 CD1 LEU A 26 10.820 1.375 -9.425 1.00 0.00 C ATOM 432 CD2 LEU A 26 12.667 1.190 -11.137 1.00 0.00 C ATOM 0 H LEU A 26 12.011 5.332 -10.883 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.198 3.298 -13.030 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.150 3.548 -10.799 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.278 2.258 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 26 12.353 2.836 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.433 0.801 -8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.202 2.079 -8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.179 0.697 -9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.265 0.633 -10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.079 0.494 -11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.326 1.762 -11.790 1.00 0.00 H new ATOM 444 N PRO A 27 10.097 4.355 -14.241 1.00 -0.66 N ATOM 445 CA PRO A 27 9.150 5.166 -14.989 1.00 0.36 C ATOM 446 C PRO A 27 7.759 5.195 -14.336 1.00 0.57 C ATOM 447 O PRO A 27 7.342 4.268 -13.639 1.00 -0.57 O ATOM 448 CB PRO A 27 9.140 4.585 -16.402 1.00 0.00 C ATOM 449 CG PRO A 27 9.626 3.143 -16.246 1.00 0.00 C ATOM 450 CD PRO A 27 10.447 3.135 -14.956 1.00 0.30 C ATOM 0 HA PRO A 27 9.447 6.215 -15.006 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.140 4.619 -16.835 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.794 5.151 -17.065 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.788 2.449 -16.184 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.231 2.836 -17.100 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.220 2.254 -14.356 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.514 3.105 -15.175 1.00 0.30 H new ATOM 458 N HIS A 28 7.004 6.259 -14.636 1.00 -0.73 N ATOM 459 CA HIS A 28 5.641 6.469 -14.157 1.00 0.36 C ATOM 460 C HIS A 28 4.696 5.346 -14.583 1.00 0.57 C ATOM 461 O HIS A 28 3.839 4.947 -13.797 1.00 -0.57 O ATOM 462 CB HIS A 28 5.116 7.821 -14.664 1.00 0.17 C ATOM 463 CG HIS A 28 5.448 8.126 -16.104 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.540 8.836 -16.541 1.00 -0.70 N ATOM 465 CD2 HIS A 28 4.735 7.747 -17.211 1.00 0.20 C ATOM 466 CE1 HIS A 28 6.484 8.879 -17.882 1.00 0.65 C ATOM 467 NE2 HIS A 28 5.412 8.211 -18.343 1.00 -0.70 N ATOM 0 H HIS A 28 7.337 7.015 -15.235 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.672 6.467 -13.067 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.033 7.844 -14.542 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.524 8.613 -14.036 1.00 0.17 H new ATOM 0 HD2 HIS A 28 3.811 7.187 -17.209 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.205 9.384 -18.508 1.00 0.65 H new ATOM 0 HE2 HIS A 28 5.147 8.071 -19.318 1.00 -0.70 H new ATOM 476 N ILE A 29 4.863 4.820 -15.804 1.00 -0.73 N ATOM 477 CA ILE A 29 4.100 3.669 -16.261 1.00 0.36 C ATOM 478 C ILE A 29 4.428 2.448 -15.403 1.00 0.57 C ATOM 479 O ILE A 29 3.508 1.728 -15.045 1.00 -0.57 O ATOM 480 CB ILE A 29 4.284 3.422 -17.777 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.484 2.173 -18.214 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.761 3.316 -18.208 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.135 2.170 -19.707 1.00 0.00 C ATOM 0 H ILE A 29 5.525 5.181 -16.490 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.038 3.876 -16.132 1.00 0.36 H new ATOM 0 HB ILE A 29 3.890 4.300 -18.289 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.063 1.279 -17.981 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.564 2.117 -17.632 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.815 3.143 -19.283 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.279 4.243 -17.964 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.235 2.487 -17.683 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.574 1.267 -19.948 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.530 3.046 -19.941 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.052 2.195 -20.295 1.00 0.00 H new ATOM 495 N THR A 30 5.693 2.231 -15.016 1.00 -0.73 N ATOM 496 CA THR A 30 6.044 1.162 -14.089 1.00 0.36 C ATOM 497 C THR A 30 5.365 1.420 -12.744 1.00 0.57 C ATOM 498 O THR A 30 4.784 0.485 -12.214 1.00 -0.57 O ATOM 499 CB THR A 30 7.577 0.981 -14.021 1.00 0.28 C ATOM 500 OG1 THR A 30 7.975 0.270 -15.185 1.00 -0.68 O ATOM 501 CG2 THR A 30 8.115 0.256 -12.785 1.00 0.00 C ATOM 0 H THR A 30 6.487 2.786 -15.335 1.00 -0.73 H new ATOM 0 HA THR A 30 5.668 0.201 -14.441 1.00 0.36 H new ATOM 0 HB THR A 30 7.999 1.984 -13.956 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.946 0.140 -15.173 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.201 0.188 -12.847 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.837 0.810 -11.888 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.691 -0.747 -12.738 1.00 0.00 H new ATOM 509 N VAL A 31 5.340 2.651 -12.218 1.00 -0.73 N ATOM 510 CA VAL A 31 4.619 2.934 -10.976 1.00 0.36 C ATOM 511 C VAL A 31 3.120 2.647 -11.114 1.00 0.57 C ATOM 512 O VAL A 31 2.610 1.874 -10.309 1.00 -0.57 O ATOM 513 CB VAL A 31 4.929 4.359 -10.471 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.984 4.812 -9.345 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.383 4.375 -9.982 1.00 0.00 C ATOM 0 H VAL A 31 5.807 3.459 -12.630 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.978 2.251 -10.206 1.00 0.36 H new ATOM 0 HB VAL A 31 4.779 5.060 -11.292 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.250 5.821 -9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.956 4.804 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.075 4.132 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.633 5.371 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.503 3.653 -9.175 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.047 4.112 -10.806 1.00 0.00 H new ATOM 525 N ASP A 32 2.427 3.208 -12.114 1.00 -0.73 N ATOM 526 CA ASP A 32 0.988 3.000 -12.326 1.00 0.36 C ATOM 527 C ASP A 32 0.688 1.509 -12.546 1.00 0.57 C ATOM 528 O ASP A 32 -0.196 0.960 -11.890 1.00 -0.57 O ATOM 529 CB ASP A 32 0.526 3.881 -13.503 1.00 0.06 C ATOM 530 CG ASP A 32 -0.986 3.863 -13.790 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.520 2.799 -14.058 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.628 5.026 -13.866 1.00 -0.65 O ATOM 0 H ASP A 32 2.854 3.825 -12.805 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.426 3.298 -11.441 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.828 4.909 -13.305 1.00 0.06 H new ATOM 0 HB3 ASP A 32 1.053 3.561 -14.402 1.00 0.06 H new ATOM 538 N ARG A 33 1.484 0.820 -13.376 1.00 -0.73 N ATOM 539 CA ARG A 33 1.366 -0.617 -13.623 1.00 0.36 C ATOM 540 C ARG A 33 1.619 -1.419 -12.359 1.00 0.57 C ATOM 541 O ARG A 33 0.880 -2.373 -12.127 1.00 -0.57 O ATOM 542 CB ARG A 33 2.331 -1.027 -14.750 1.00 0.00 C ATOM 543 CG ARG A 33 2.370 -2.524 -15.109 1.00 0.00 C ATOM 544 CD ARG A 33 3.341 -3.331 -14.228 1.00 0.33 C ATOM 545 NE ARG A 33 3.669 -4.646 -14.813 1.00 -0.84 N ATOM 546 CZ ARG A 33 4.611 -4.889 -15.738 1.00 1.20 C ATOM 547 NH1 ARG A 33 5.360 -3.892 -16.218 1.00 -0.97 N ATOM 548 NH2 ARG A 33 4.777 -6.128 -16.198 1.00 -0.97 N ATOM 0 H ARG A 33 2.240 1.257 -13.902 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.346 -0.836 -13.937 1.00 0.36 H new ATOM 0 HB2 ARG A 33 2.066 -0.468 -15.647 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.337 -0.717 -14.467 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.368 -2.941 -15.011 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.660 -2.634 -16.154 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.259 -2.760 -14.086 1.00 0.33 H new ATOM 0 HD3 ARG A 33 2.899 -3.475 -13.242 1.00 0.33 H new ATOM 0 HE ARG A 33 3.129 -5.446 -14.483 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 5.218 -2.940 -15.882 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 6.074 -4.083 -16.921 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 4.190 -6.885 -15.847 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 5.491 -6.320 -16.901 1.00 -0.97 H new ATOM 562 N LEU A 34 2.646 -1.093 -11.566 1.00 -0.73 N ATOM 563 CA LEU A 34 2.934 -1.784 -10.316 1.00 0.36 C ATOM 564 C LEU A 34 1.771 -1.549 -9.354 1.00 0.57 C ATOM 565 O LEU A 34 1.267 -2.521 -8.804 1.00 -0.57 O ATOM 566 CB LEU A 34 4.289 -1.343 -9.716 1.00 0.00 C ATOM 567 CG LEU A 34 5.517 -2.198 -10.127 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.624 -2.639 -11.591 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.815 -1.520 -9.689 1.00 0.00 C ATOM 0 H LEU A 34 3.299 -0.339 -11.779 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.031 -2.853 -10.503 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.475 -0.309 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.206 -1.358 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 34 5.348 -3.133 -9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.531 -3.228 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.756 -3.244 -11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.661 -1.760 -12.234 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.665 -2.135 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.892 -0.541 -10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.815 -1.400 -8.606 1.00 0.00 H new ATOM 581 N VAL A 35 1.283 -0.313 -9.209 1.00 -0.73 N ATOM 582 CA VAL A 35 0.075 -0.004 -8.447 1.00 0.36 C ATOM 583 C VAL A 35 -1.088 -0.877 -8.943 1.00 0.57 C ATOM 584 O VAL A 35 -1.710 -1.556 -8.128 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.183 1.529 -8.475 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.625 1.959 -8.761 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.260 2.172 -7.151 1.00 0.00 C ATOM 0 H VAL A 35 1.723 0.509 -9.623 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.193 -0.256 -7.393 1.00 0.36 H new ATOM 0 HB VAL A 35 0.411 1.879 -9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.688 3.047 -8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.930 1.582 -9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.284 1.554 -7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.073 3.245 -7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.303 1.733 -6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.325 1.995 -6.999 1.00 0.00 H new ATOM 597 N SER A 36 -1.337 -0.942 -10.256 1.00 -0.73 N ATOM 598 CA SER A 36 -2.403 -1.748 -10.831 1.00 0.36 C ATOM 599 C SER A 36 -2.204 -3.236 -10.554 1.00 0.57 C ATOM 600 O SER A 36 -3.156 -3.871 -10.118 1.00 -0.57 O ATOM 601 CB SER A 36 -2.543 -1.468 -12.335 1.00 0.28 C ATOM 602 OG SER A 36 -3.637 -0.601 -12.551 1.00 -0.68 O ATOM 0 H SER A 36 -0.794 -0.429 -10.951 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.335 -1.460 -10.345 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.627 -1.019 -12.719 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.692 -2.402 -12.878 1.00 0.28 H new ATOM 0 HG SER A 36 -3.727 -0.420 -13.510 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.007 -3.807 -10.750 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.737 -5.223 -10.468 1.00 0.36 C ATOM 610 C LYS A 37 -0.844 -5.533 -8.973 1.00 0.57 C ATOM 611 O LYS A 37 -1.411 -6.560 -8.603 1.00 -0.57 O ATOM 612 CB LYS A 37 0.658 -5.630 -10.974 1.00 0.00 C ATOM 613 CG LYS A 37 0.660 -6.037 -12.456 1.00 0.00 C ATOM 614 CD LYS A 37 1.928 -6.834 -12.792 1.00 0.00 C ATOM 615 CE LYS A 37 1.891 -8.270 -12.225 1.00 0.50 C ATOM 616 NZ LYS A 37 3.173 -8.700 -11.607 1.00 -0.85 N ATOM 0 H LYS A 37 -0.198 -3.299 -11.109 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.495 -5.800 -10.997 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.348 -4.799 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.029 -6.461 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.223 -6.637 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.605 -5.148 -13.084 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.050 -6.877 -13.874 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.798 -6.312 -12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.098 -8.337 -11.480 1.00 0.50 H new ATOM 0 HE3 LYS A 37 1.634 -8.962 -13.027 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.077 -9.671 -11.248 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.930 -8.667 -12.319 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 3.410 -8.062 -10.820 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.311 -4.666 -8.112 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.388 -4.811 -6.665 1.00 0.36 C ATOM 632 C ALA A 38 -1.848 -4.763 -6.210 1.00 0.57 C ATOM 633 O ALA A 38 -2.283 -5.614 -5.435 1.00 -0.57 O ATOM 634 CB ALA A 38 0.433 -3.702 -6.000 1.00 0.00 C ATOM 0 H ALA A 38 0.194 -3.831 -8.409 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.024 -5.776 -6.369 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.377 -3.808 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.473 -3.778 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.034 -2.730 -6.291 1.00 0.00 H new ATOM 640 N LEU A 39 -2.625 -3.811 -6.737 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.058 -3.731 -6.490 1.00 0.36 C ATOM 642 C LEU A 39 -4.798 -4.915 -7.103 1.00 0.57 C ATOM 643 O LEU A 39 -5.788 -5.357 -6.530 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.632 -2.421 -7.047 1.00 0.00 C ATOM 645 CG LEU A 39 -4.268 -1.195 -6.195 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.701 0.078 -6.923 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.890 -1.270 -4.790 1.00 0.00 C ATOM 0 H LEU A 39 -2.271 -3.075 -7.348 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.202 -3.757 -5.410 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.265 -2.273 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.717 -2.504 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.187 -1.179 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.443 0.948 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.190 0.139 -7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.779 0.056 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.609 -0.385 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.976 -1.317 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.527 -2.161 -4.279 1.00 0.00 H new ATOM 659 N ASN A 40 -4.330 -5.455 -8.231 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.864 -6.681 -8.816 1.00 0.36 C ATOM 661 C ASN A 40 -4.696 -7.842 -7.840 1.00 0.57 C ATOM 662 O ASN A 40 -5.630 -8.611 -7.648 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.154 -7.001 -10.143 1.00 0.06 C ATOM 664 CG ASN A 40 -5.097 -7.557 -11.187 1.00 0.57 C ATOM 665 OD1 ASN A 40 -5.143 -8.768 -11.387 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.793 -6.685 -11.911 1.00 -0.80 N ATOM 0 H ASN A 40 -3.563 -5.048 -8.766 1.00 -0.73 H new ATOM 0 HA ASN A 40 -5.925 -6.535 -9.017 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -3.685 -6.095 -10.528 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.356 -7.720 -9.960 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -6.394 -7.014 -12.666 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -5.725 -5.687 -11.711 1.00 -0.80 H new ATOM 673 N MET A 41 -3.524 -7.941 -7.201 1.00 -0.73 N ATOM 674 CA MET A 41 -3.249 -8.944 -6.181 1.00 0.36 C ATOM 675 C MET A 41 -4.084 -8.724 -4.915 1.00 0.57 C ATOM 676 O MET A 41 -4.555 -9.702 -4.349 1.00 -0.57 O ATOM 677 CB MET A 41 -1.743 -8.994 -5.881 1.00 0.00 C ATOM 678 CG MET A 41 -1.045 -9.942 -6.867 1.00 0.23 C ATOM 679 SD MET A 41 0.715 -10.264 -6.560 1.00 -0.46 S ATOM 680 CE MET A 41 1.438 -8.717 -7.164 1.00 0.23 C ATOM 0 H MET A 41 -2.737 -7.319 -7.384 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.549 -9.916 -6.572 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.315 -7.995 -5.959 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.578 -9.333 -4.858 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.574 -10.895 -6.859 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.148 -9.529 -7.870 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.523 -8.758 -7.063 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.176 -8.578 -8.213 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.051 -7.882 -6.580 1.00 0.23 H new ATOM 690 N TRP A 42 -4.329 -7.482 -4.487 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.232 -7.201 -3.364 1.00 0.36 C ATOM 692 C TRP A 42 -6.704 -7.500 -3.717 1.00 0.57 C ATOM 693 O TRP A 42 -7.422 -8.142 -2.949 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.035 -5.745 -2.915 1.00 0.18 C ATOM 695 CG TRP A 42 -4.001 -5.561 -1.847 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.675 -5.348 -2.017 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.204 -5.602 -0.406 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.064 -5.232 -0.784 1.00 0.03 N ATOM 699 CE2 TRP A 42 -2.948 -5.443 0.246 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.334 -5.768 0.415 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -2.809 -5.497 1.638 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.203 -5.825 1.812 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -3.943 -5.728 2.426 1.00 -0.15 C ATOM 0 H TRP A 42 -3.912 -6.649 -4.904 1.00 -0.73 H new ATOM 0 HA TRP A 42 -4.983 -7.865 -2.536 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.756 -5.145 -3.781 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -5.987 -5.357 -2.552 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.172 -5.279 -2.970 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.076 -5.016 -0.654 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.313 -5.853 -0.034 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -1.841 -5.362 2.097 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.085 -5.945 2.424 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -3.850 -5.831 3.497 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.150 -7.091 -4.910 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.493 -7.340 -5.433 1.00 0.36 C ATOM 716 C GLY A 43 -8.692 -8.780 -5.928 1.00 0.57 C ATOM 717 O GLY A 43 -9.779 -9.165 -6.374 1.00 -0.57 O ATOM 0 H GLY A 43 -6.566 -6.561 -5.557 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.225 -7.126 -4.654 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.690 -6.650 -6.254 1.00 0.36 H new ATOM 721 N LYS A 44 -7.647 -9.609 -5.845 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.754 -11.033 -6.109 1.00 0.36 C ATOM 723 C LYS A 44 -8.605 -11.727 -5.038 1.00 0.57 C ATOM 724 O LYS A 44 -9.182 -12.779 -5.316 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.354 -11.654 -6.183 1.00 0.00 C ATOM 726 CG LYS A 44 -6.285 -12.710 -7.288 1.00 0.00 C ATOM 727 CD LYS A 44 -5.101 -13.658 -7.082 1.00 0.00 C ATOM 728 CE LYS A 44 -5.501 -14.779 -6.106 1.00 0.50 C ATOM 729 NZ LYS A 44 -5.263 -16.122 -6.682 1.00 -0.85 N ATOM 0 H LYS A 44 -6.707 -9.305 -5.592 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.252 -11.175 -7.068 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.615 -10.875 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.101 -12.107 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.213 -13.282 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.196 -12.219 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.794 -14.085 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.246 -13.108 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.934 -14.675 -5.181 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -6.555 -14.676 -5.847 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -5.545 -16.850 -5.994 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -5.824 -16.231 -7.551 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -4.253 -16.230 -6.906 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.704 -11.126 -3.842 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.501 -11.646 -2.735 1.00 0.36 C ATOM 745 C GLU A 45 -10.795 -10.851 -2.525 1.00 0.57 C ATOM 746 O GLU A 45 -11.794 -11.463 -2.138 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.668 -11.637 -1.443 1.00 0.00 C ATOM 748 CG GLU A 45 -7.882 -12.929 -1.189 1.00 0.06 C ATOM 749 CD GLU A 45 -6.960 -13.369 -2.336 1.00 0.66 C ATOM 750 OE1 GLU A 45 -6.034 -12.636 -2.642 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -7.234 -14.536 -2.913 1.00 -0.65 O ATOM 0 H GLU A 45 -8.224 -10.254 -3.620 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.784 -12.668 -2.989 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -7.969 -10.802 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.332 -11.458 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.280 -12.798 -0.290 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -8.590 -13.732 -0.985 1.00 0.06 H new ATOM 759 N ILE A 46 -10.811 -9.535 -2.800 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.015 -8.707 -2.669 1.00 0.36 C ATOM 761 C ILE A 46 -12.440 -8.144 -4.027 1.00 0.57 C ATOM 762 O ILE A 46 -11.617 -7.551 -4.721 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.859 -7.561 -1.645 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.511 -6.813 -1.755 1.00 0.00 C ATOM 765 CG2 ILE A 46 -12.119 -8.145 -0.254 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.519 -5.453 -1.056 1.00 0.00 C ATOM 0 H ILE A 46 -9.990 -9.020 -3.118 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.795 -9.367 -2.289 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.591 -6.782 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.723 -7.431 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.266 -6.672 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.017 -7.360 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -13.128 -8.555 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.398 -8.936 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.544 -4.980 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.285 -4.819 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.734 -5.590 0.004 1.00 0.00 H new ATOM 778 N PRO A 47 -13.732 -8.243 -4.389 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.264 -7.751 -5.656 1.00 0.36 C ATOM 780 C PRO A 47 -14.445 -6.217 -5.644 1.00 0.57 C ATOM 781 O PRO A 47 -15.525 -5.716 -5.980 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.560 -8.552 -5.852 1.00 0.00 C ATOM 783 CG PRO A 47 -16.062 -8.795 -4.427 1.00 0.00 C ATOM 784 CD PRO A 47 -14.779 -8.905 -3.616 1.00 0.30 C ATOM 0 HA PRO A 47 -13.591 -7.903 -6.500 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.288 -7.996 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.375 -9.490 -6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.690 -7.976 -4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.659 -9.705 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.897 -8.432 -2.641 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.524 -9.949 -3.436 1.00 0.30 H new ATOM 792 N LEU A 48 -13.400 -5.488 -5.225 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.297 -4.029 -5.194 1.00 0.36 C ATOM 794 C LEU A 48 -12.523 -3.600 -6.440 1.00 0.57 C ATOM 795 O LEU A 48 -11.588 -4.283 -6.859 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.570 -3.598 -3.905 1.00 0.00 C ATOM 797 CG LEU A 48 -12.937 -2.187 -3.383 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.463 -2.048 -1.940 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.309 -1.012 -4.136 1.00 0.00 C ATOM 0 H LEU A 48 -12.552 -5.935 -4.877 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.279 -3.556 -5.194 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.788 -4.325 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.495 -3.634 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.017 -2.128 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.719 -1.056 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.949 -2.804 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.382 -2.184 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.635 -0.075 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.223 -1.083 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.621 -1.040 -5.180 1.00 0.00 H new ATOM 811 N HIS A 49 -12.924 -2.480 -7.043 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.396 -2.012 -8.319 1.00 0.36 C ATOM 813 C HIS A 49 -11.876 -0.577 -8.158 1.00 0.57 C ATOM 814 O HIS A 49 -12.194 0.105 -7.185 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.499 -2.127 -9.387 1.00 0.17 C ATOM 816 CG HIS A 49 -13.995 -3.538 -9.662 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.657 -4.379 -8.790 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.923 -4.199 -10.863 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.957 -5.511 -9.449 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.546 -5.443 -10.728 1.00 -0.70 N ATOM 0 H HIS A 49 -13.636 -1.865 -6.650 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.555 -2.625 -8.644 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.347 -1.516 -9.077 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.125 -1.703 -10.319 1.00 0.17 H new ATOM 0 HD2 HIS A 49 -13.461 -3.821 -11.763 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.460 -6.360 -9.011 1.00 0.65 H new ATOM 0 HE2 HIS A 49 -14.665 -6.153 -11.451 1.00 -0.70 H new ATOM 829 N PHE A 50 -11.083 -0.084 -9.108 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.366 1.182 -8.963 1.00 0.36 C ATOM 831 C PHE A 50 -10.501 1.946 -10.281 1.00 0.57 C ATOM 832 O PHE A 50 -10.599 1.328 -11.344 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.891 0.945 -8.548 1.00 0.14 C ATOM 834 CG PHE A 50 -8.661 -0.204 -7.566 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.638 -1.533 -8.033 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.510 0.037 -6.186 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.555 -2.608 -7.128 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.435 -1.034 -5.279 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.469 -2.359 -5.750 1.00 -0.15 C ATOM 0 H PHE A 50 -10.919 -0.551 -10.000 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.797 1.782 -8.162 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.305 0.755 -9.447 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.505 1.862 -8.104 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.684 -1.729 -9.094 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.451 1.052 -5.822 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.558 -3.624 -7.494 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.351 -0.840 -4.220 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.429 -3.183 -5.053 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.537 3.279 -10.219 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.719 4.164 -11.374 1.00 0.36 C ATOM 851 C ARG A 51 -9.878 5.422 -11.175 1.00 0.57 C ATOM 852 O ARG A 51 -9.394 5.677 -10.078 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.214 4.522 -11.523 1.00 0.00 C ATOM 854 CG ARG A 51 -13.009 3.612 -12.478 1.00 0.00 C ATOM 855 CD ARG A 51 -12.612 3.799 -13.957 1.00 0.33 C ATOM 856 NE ARG A 51 -13.661 3.297 -14.870 1.00 -0.84 N ATOM 857 CZ ARG A 51 -13.930 3.724 -16.118 1.00 1.20 C ATOM 858 NH1 ARG A 51 -13.138 4.587 -16.752 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.022 3.289 -16.749 1.00 -0.97 N ATOM 0 H ARG A 51 -10.438 3.787 -9.340 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.394 3.662 -12.285 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.681 4.486 -10.539 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.293 5.550 -11.876 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.852 2.571 -12.194 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.074 3.817 -12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.432 4.856 -14.155 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -11.677 3.274 -14.152 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.247 2.542 -14.514 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -12.300 4.943 -16.292 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -13.369 4.892 -17.698 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -15.652 2.634 -16.286 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -15.227 3.612 -17.695 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.734 6.246 -12.217 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.969 7.485 -12.136 1.00 0.36 C ATOM 875 C LYS A 52 -9.932 8.664 -12.229 1.00 0.57 C ATOM 876 O LYS A 52 -10.998 8.564 -12.844 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.881 7.485 -13.224 1.00 0.00 C ATOM 878 CG LYS A 52 -6.796 8.542 -12.955 1.00 0.00 C ATOM 879 CD LYS A 52 -5.603 8.429 -13.918 1.00 0.00 C ATOM 880 CE LYS A 52 -4.530 9.457 -13.518 1.00 0.50 C ATOM 881 NZ LYS A 52 -3.535 9.714 -14.589 1.00 -0.85 N ATOM 0 H LYS A 52 -10.144 6.071 -13.134 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.449 7.574 -11.182 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.421 6.498 -13.276 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.339 7.675 -14.195 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.234 9.536 -13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.441 8.439 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.188 7.421 -13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.929 8.606 -14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.017 10.395 -13.251 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -4.011 9.103 -12.627 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -2.841 10.414 -14.257 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -3.046 8.828 -14.828 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -4.020 10.080 -15.433 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.552 9.769 -11.591 1.00 -0.73 N ATOM 896 CA VAL A 53 -10.269 11.034 -11.662 1.00 0.36 C ATOM 897 C VAL A 53 -9.943 11.747 -12.981 1.00 0.57 C ATOM 898 O VAL A 53 -9.021 11.358 -13.698 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.926 11.899 -10.430 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.389 11.196 -9.147 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.424 12.207 -10.329 1.00 0.00 C ATOM 0 H VAL A 53 -8.721 9.808 -11.000 1.00 -0.73 H new ATOM 0 HA VAL A 53 -11.344 10.853 -11.647 1.00 0.36 H new ATOM 0 HB VAL A 53 -10.451 12.846 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.142 11.814 -8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.467 11.041 -9.186 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.887 10.233 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.236 12.818 -9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.866 11.274 -10.250 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.103 12.748 -11.219 1.00 0.00 H new ATOM 911 N VAL A 54 -10.682 12.819 -13.268 1.00 -0.73 N ATOM 912 CA VAL A 54 -10.479 13.663 -14.445 1.00 0.36 C ATOM 913 C VAL A 54 -9.882 15.009 -14.004 1.00 0.57 C ATOM 914 O VAL A 54 -8.825 15.414 -14.508 1.00 -0.57 O ATOM 915 CB VAL A 54 -11.804 13.778 -15.243 1.00 0.00 C ATOM 916 CG1 VAL A 54 -12.069 12.475 -16.014 1.00 0.00 C ATOM 917 CG2 VAL A 54 -13.052 14.068 -14.386 1.00 0.00 C ATOM 0 H VAL A 54 -11.453 13.131 -12.677 1.00 -0.73 H new ATOM 0 HA VAL A 54 -9.759 13.219 -15.132 1.00 0.36 H new ATOM 0 HB VAL A 54 -11.655 14.631 -15.905 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -13.001 12.565 -16.571 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.249 12.289 -16.707 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.145 11.645 -15.311 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.929 14.131 -15.030 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -13.191 13.265 -13.662 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.920 15.013 -13.859 1.00 0.00 H new ATOM 927 N TRP A 55 -10.483 15.635 -12.981 1.00 -0.73 N ATOM 928 CA TRP A 55 -9.988 16.837 -12.329 1.00 0.36 C ATOM 929 C TRP A 55 -10.379 16.749 -10.846 1.00 0.57 C ATOM 930 O TRP A 55 -11.472 16.270 -10.523 1.00 -0.57 O ATOM 931 CB TRP A 55 -10.535 18.092 -13.047 1.00 0.18 C ATOM 932 CG TRP A 55 -11.898 18.620 -12.677 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -13.054 17.919 -12.632 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -12.265 19.987 -12.297 1.00 0.00 C ATOM 935 NE1 TRP A 55 -14.095 18.738 -12.245 1.00 0.03 N ATOM 936 CE2 TRP A 55 -13.661 20.023 -11.996 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -11.554 21.200 -12.167 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -14.309 21.188 -11.555 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -12.193 22.378 -11.731 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -13.564 22.368 -11.412 1.00 -0.15 C ATOM 0 H TRP A 55 -11.357 15.299 -12.577 1.00 -0.73 H new ATOM 0 HA TRP A 55 -8.903 16.919 -12.389 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -9.818 18.898 -12.890 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -10.546 17.879 -14.116 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -13.149 16.869 -12.865 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -15.064 18.431 -12.155 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -10.501 21.225 -12.406 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -15.365 21.176 -11.329 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -11.628 23.294 -11.641 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -14.042 23.269 -11.057 1.00 -0.15 H new ATOM 951 N GLY A 56 -9.467 17.160 -9.955 1.00 -0.73 N ATOM 952 CA GLY A 56 -9.667 17.101 -8.506 1.00 0.36 C ATOM 953 C GLY A 56 -8.837 15.983 -7.861 1.00 0.57 C ATOM 954 O GLY A 56 -8.272 15.132 -8.554 1.00 -0.57 O ATOM 0 H GLY A 56 -8.562 17.546 -10.225 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -9.394 18.058 -8.062 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -10.723 16.940 -8.291 1.00 0.36 H new ATOM 958 N THR A 57 -8.728 16.024 -6.522 1.00 -0.73 N ATOM 959 CA THR A 57 -8.060 14.956 -5.771 1.00 0.36 C ATOM 960 C THR A 57 -8.889 13.659 -5.831 1.00 0.57 C ATOM 961 O THR A 57 -10.078 13.680 -6.171 1.00 -0.57 O ATOM 962 CB THR A 57 -7.740 15.437 -4.333 1.00 0.28 C ATOM 963 OG1 THR A 57 -6.512 14.891 -3.879 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.836 15.143 -3.302 1.00 0.00 C ATOM 0 H THR A 57 -9.092 16.781 -5.944 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.101 14.716 -6.230 1.00 0.36 H new ATOM 0 HB THR A 57 -7.672 16.522 -4.412 1.00 0.28 H new ATOM 0 HG1 THR A 57 -6.329 15.209 -2.970 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.526 15.514 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.760 15.638 -3.602 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.003 14.067 -3.245 1.00 0.00 H new ATOM 972 N ALA A 58 -8.242 12.547 -5.467 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.803 11.205 -5.516 1.00 0.36 C ATOM 974 C ALA A 58 -8.718 10.530 -4.145 1.00 0.57 C ATOM 975 O ALA A 58 -8.107 11.044 -3.199 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.040 10.393 -6.561 1.00 0.00 C ATOM 0 H ALA A 58 -7.283 12.563 -5.120 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.856 11.262 -5.791 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.450 9.384 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.138 10.871 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.987 10.344 -6.285 1.00 0.00 H new ATOM 982 N ASP A 59 -9.325 9.348 -4.059 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.390 8.574 -2.830 1.00 0.36 C ATOM 984 C ASP A 59 -8.015 7.947 -2.519 1.00 0.57 C ATOM 985 O ASP A 59 -7.630 7.939 -1.353 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.490 7.514 -2.952 1.00 0.06 C ATOM 987 CG ASP A 59 -11.882 8.067 -3.301 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.427 7.621 -4.297 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.390 9.042 -2.553 1.00 -0.65 O ATOM 0 H ASP A 59 -9.788 8.900 -4.850 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.642 9.227 -1.995 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.198 6.794 -3.717 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.556 6.969 -2.010 1.00 0.06 H new ATOM 995 N ILE A 60 -7.255 7.522 -3.545 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.931 6.883 -3.476 1.00 0.36 C ATOM 997 C ILE A 60 -4.928 7.761 -4.246 1.00 0.57 C ATOM 998 O ILE A 60 -4.500 7.462 -5.364 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.942 5.425 -4.018 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.192 4.582 -3.686 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.658 4.684 -3.589 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.369 4.240 -2.209 1.00 0.00 C ATOM 0 H ILE A 60 -7.573 7.624 -4.509 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.633 6.805 -2.430 1.00 0.36 H new ATOM 0 HB ILE A 60 -5.980 5.539 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.076 5.121 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.147 3.653 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.680 3.665 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.787 5.205 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.599 4.658 -2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.274 3.647 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.508 3.669 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.452 5.160 -1.630 1.00 0.00 H new ATOM 1014 N MET A 61 -4.598 8.916 -3.684 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.582 9.804 -4.200 1.00 0.36 C ATOM 1016 C MET A 61 -2.211 9.246 -3.803 1.00 0.57 C ATOM 1017 O MET A 61 -1.929 9.098 -2.615 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.796 11.216 -3.654 1.00 0.00 C ATOM 1019 CG MET A 61 -2.866 12.259 -4.265 1.00 0.23 C ATOM 1020 SD MET A 61 -2.550 13.630 -3.125 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.280 12.855 -2.091 1.00 0.23 C ATOM 0 H MET A 61 -5.045 9.264 -2.836 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.639 9.866 -5.287 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.829 11.513 -3.835 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.653 11.203 -2.574 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.921 11.788 -4.538 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.307 12.645 -5.184 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.285 13.315 -1.103 1.00 0.23 H new ATOM 0 HE2 MET A 61 -1.488 11.789 -1.997 1.00 0.23 H new ATOM 0 HE3 MET A 61 -0.302 12.994 -2.551 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.345 8.971 -4.778 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.003 8.463 -4.525 1.00 0.36 C ATOM 1033 C ILE A 62 0.965 9.602 -4.859 1.00 0.57 C ATOM 1034 O ILE A 62 0.802 10.250 -5.887 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.291 7.172 -5.334 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.824 6.104 -5.196 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.610 6.550 -4.846 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.742 6.047 -6.423 1.00 0.00 C ATOM 0 H ILE A 62 -1.559 9.094 -5.768 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.124 8.166 -3.483 1.00 0.36 H new ATOM 0 HB ILE A 62 0.344 7.467 -6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.368 5.126 -5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.421 6.320 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.816 5.642 -5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.423 7.261 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.527 6.306 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.504 5.282 -6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.222 7.015 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.153 5.803 -7.307 1.00 0.00 H new ATOM 1050 N GLY A 63 1.967 9.866 -4.017 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.960 10.892 -4.304 1.00 0.36 C ATOM 1052 C GLY A 63 4.332 10.523 -3.766 1.00 0.57 C ATOM 1053 O GLY A 63 4.473 9.618 -2.948 1.00 -0.57 O ATOM 0 H GLY A 63 2.108 9.380 -3.131 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.022 11.045 -5.381 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.641 11.838 -3.866 1.00 0.36 H new ATOM 1057 N PHE A 64 5.352 11.247 -4.225 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.743 10.978 -3.904 1.00 0.36 C ATOM 1059 C PHE A 64 7.393 12.332 -3.670 1.00 0.57 C ATOM 1060 O PHE A 64 7.112 13.287 -4.411 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.462 10.178 -5.015 1.00 0.14 C ATOM 1062 CG PHE A 64 6.745 8.923 -5.476 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.564 9.050 -6.214 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.178 7.643 -5.087 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.738 7.947 -6.461 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.332 6.537 -5.284 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.104 6.694 -5.953 1.00 -0.15 C ATOM 0 H PHE A 64 5.227 12.050 -4.841 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.816 10.348 -3.018 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.606 10.831 -5.875 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.453 9.900 -4.657 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.283 10.018 -6.601 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.152 7.510 -4.641 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.831 8.061 -7.036 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.626 5.563 -4.920 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.444 5.848 -6.075 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.223 12.399 -2.629 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.893 13.608 -2.171 1.00 0.36 C ATOM 1079 C ALA A 65 10.320 13.264 -1.742 1.00 0.57 C ATOM 1080 O ALA A 65 10.710 12.097 -1.747 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.097 14.212 -1.010 1.00 0.00 C ATOM 0 H ALA A 65 8.453 11.582 -2.064 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.945 14.342 -2.975 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.593 15.118 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.090 14.456 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.041 13.492 -0.194 1.00 0.00 H new ATOM 1087 N ARG A 66 11.104 14.281 -1.373 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.493 14.111 -0.961 1.00 0.36 C ATOM 1089 C ARG A 66 12.703 14.927 0.322 1.00 0.57 C ATOM 1090 O ARG A 66 13.002 16.125 0.276 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.472 14.459 -2.106 1.00 0.00 C ATOM 1092 CG ARG A 66 13.274 13.625 -3.396 1.00 0.00 C ATOM 1093 CD ARG A 66 12.477 14.337 -4.516 1.00 0.33 C ATOM 1094 NE ARG A 66 13.313 14.567 -5.713 1.00 -0.84 N ATOM 1095 CZ ARG A 66 13.219 15.555 -6.622 1.00 1.20 C ATOM 1096 NH1 ARG A 66 12.238 16.461 -6.591 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 14.131 15.649 -7.590 1.00 -0.97 N ATOM 0 H ARG A 66 10.787 15.250 -1.353 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.711 13.067 -0.737 1.00 0.36 H new ATOM 0 HB2 ARG A 66 13.363 15.515 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.492 14.318 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.253 13.348 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.761 12.699 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.610 13.734 -4.787 1.00 0.33 H new ATOM 0 HD3 ARG A 66 12.100 15.290 -4.146 1.00 0.33 H new ATOM 0 HE ARG A 66 14.058 13.889 -5.871 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 11.527 16.418 -5.861 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 12.200 17.196 -7.298 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.894 14.974 -7.639 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 14.065 16.396 -8.282 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.443 14.279 1.469 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.765 14.793 2.797 1.00 0.36 C ATOM 1113 C GLY A 67 11.554 15.375 3.524 1.00 0.57 C ATOM 1114 O GLY A 67 11.390 15.134 4.716 1.00 -0.57 O ATOM 0 H GLY A 67 11.993 13.364 1.492 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.190 13.989 3.398 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.531 15.563 2.706 1.00 0.36 H new ATOM 1118 N ALA A 68 10.687 16.112 2.824 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.447 16.651 3.374 1.00 0.36 C ATOM 1120 C ALA A 68 8.495 17.006 2.230 1.00 0.57 C ATOM 1121 O ALA A 68 8.901 17.023 1.067 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.750 17.888 4.232 1.00 0.00 C ATOM 0 H ALA A 68 10.832 16.353 1.844 1.00 -0.73 H new ATOM 0 HA ALA A 68 8.971 15.902 4.008 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.820 18.285 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.415 17.610 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.231 18.649 3.617 1.00 0.00 H new ATOM 1128 N HIS A 69 7.234 17.297 2.573 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.169 17.638 1.634 1.00 0.36 C ATOM 1130 C HIS A 69 5.016 18.325 2.383 1.00 0.57 C ATOM 1131 O HIS A 69 4.870 18.155 3.600 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.684 16.379 0.888 1.00 0.17 C ATOM 1133 CG HIS A 69 5.359 15.161 1.729 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.131 15.114 3.088 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 5.215 13.882 1.262 1.00 0.20 C ATOM 1136 CE1 HIS A 69 4.840 13.844 3.417 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.889 13.054 2.336 1.00 -0.70 N ATOM 0 H HIS A 69 6.921 17.300 3.544 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.556 18.333 0.889 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.793 16.645 0.319 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.451 16.097 0.166 1.00 0.17 H new ATOM 0 HD1 HIS A 69 5.175 15.905 3.731 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 5.334 13.567 0.236 1.00 0.20 H new ATOM 0 HE1 HIS A 69 4.600 13.507 4.415 1.00 0.65 H new ATOM 1146 N GLY A 70 4.183 19.067 1.637 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.018 19.813 2.122 1.00 0.36 C ATOM 1148 C GLY A 70 1.808 18.914 2.340 1.00 0.57 C ATOM 1149 O GLY A 70 0.753 19.116 1.741 1.00 -0.57 O ATOM 0 H GLY A 70 4.313 19.166 0.630 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.272 20.311 3.058 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.764 20.593 1.404 1.00 0.36 H new ATOM 1153 N ASP A 71 2.006 17.883 3.156 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.036 16.841 3.437 1.00 0.36 C ATOM 1155 C ASP A 71 0.451 17.065 4.833 1.00 0.57 C ATOM 1156 O ASP A 71 -0.632 17.630 4.981 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.801 15.519 3.329 1.00 0.06 C ATOM 1158 CG ASP A 71 1.038 14.356 3.929 1.00 0.66 C ATOM 1159 OD1 ASP A 71 -0.023 14.062 3.405 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 1.636 13.719 4.932 1.00 -0.65 O ATOM 0 H ASP A 71 2.884 17.749 3.658 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.195 16.840 2.743 1.00 0.36 H new ATOM 0 HB2 ASP A 71 2.011 15.309 2.280 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.762 15.617 3.833 1.00 0.06 H new ATOM 1166 N SER A 72 1.221 16.678 5.851 1.00 -0.73 N ATOM 1167 CA SER A 72 0.874 16.715 7.260 1.00 0.36 C ATOM 1168 C SER A 72 2.145 16.359 8.030 1.00 0.57 C ATOM 1169 O SER A 72 2.573 17.129 8.891 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.241 15.693 7.557 1.00 0.28 C ATOM 1171 OG SER A 72 -1.395 16.335 8.063 1.00 -0.68 O ATOM 0 H SER A 72 2.159 16.309 5.697 1.00 -0.73 H new ATOM 0 HA SER A 72 0.504 17.698 7.552 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.493 15.149 6.647 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.117 14.958 8.278 1.00 0.28 H new ATOM 0 HG SER A 72 -2.089 15.667 8.242 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.798 15.247 7.651 1.00 -0.73 N ATOM 1178 CA TYR A 73 3.951 14.725 8.375 1.00 0.36 C ATOM 1179 C TYR A 73 5.225 14.950 7.559 1.00 0.57 C ATOM 1180 O TYR A 73 5.270 14.531 6.401 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.733 13.231 8.664 1.00 0.14 C ATOM 1182 CG TYR A 73 2.530 12.958 9.548 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 2.489 13.489 10.852 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.441 12.205 9.064 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 1.372 13.269 11.675 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.321 11.975 9.886 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.285 12.504 11.197 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.797 12.273 11.992 1.00 -0.53 O ATOM 0 H TYR A 73 2.536 14.692 6.836 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.063 15.251 9.323 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.609 12.700 7.720 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.625 12.827 9.142 1.00 0.14 H new ATOM 0 HD1 TYR A 73 3.322 14.069 11.222 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.466 11.804 8.062 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 1.344 13.684 12.672 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.511 11.394 9.515 1.00 -0.15 H new ATOM 0 HH TYR A 73 -1.451 11.730 11.504 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.268 15.588 8.124 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.561 15.641 7.471 1.00 0.36 C ATOM 1200 C PRO A 74 8.176 14.238 7.477 1.00 0.57 C ATOM 1201 O PRO A 74 8.179 13.546 8.500 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.394 16.664 8.249 1.00 0.00 C ATOM 1203 CG PRO A 74 7.742 16.742 9.631 1.00 0.00 C ATOM 1204 CD PRO A 74 6.330 16.178 9.455 1.00 0.30 C ATOM 0 HA PRO A 74 7.503 15.950 6.427 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.435 16.351 8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.387 17.635 7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.306 16.164 10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.711 17.770 9.992 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.116 15.430 10.218 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.584 16.966 9.562 1.00 0.30 H new ATOM 1212 N PHE A 75 8.690 13.835 6.315 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.562 12.680 6.161 1.00 0.36 C ATOM 1214 C PHE A 75 10.938 12.946 6.829 1.00 0.57 C ATOM 1215 O PHE A 75 11.101 13.807 7.695 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.631 12.319 4.651 1.00 0.14 C ATOM 1217 CG PHE A 75 8.626 11.290 4.150 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.480 10.045 4.800 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.944 11.514 2.937 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.634 9.056 4.268 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.121 10.515 2.393 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.948 9.296 3.067 1.00 -0.15 C ATOM 0 H PHE A 75 8.504 14.317 5.436 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.167 11.807 6.680 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.497 13.235 4.075 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.633 11.950 4.434 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.023 9.851 5.713 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.055 12.458 2.424 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.512 8.114 4.782 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.619 10.685 1.452 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.288 8.543 2.662 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.911 12.119 6.459 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.198 11.822 7.087 1.00 0.36 C ATOM 1234 C ASP A 76 14.314 11.873 6.020 1.00 0.57 C ATOM 1235 O ASP A 76 15.430 12.319 6.316 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.092 10.366 7.625 1.00 0.06 C ATOM 1237 CG ASP A 76 12.625 9.324 6.581 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.083 9.696 5.553 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.833 8.028 6.798 1.00 -0.65 O ATOM 0 H ASP A 76 11.803 11.572 5.605 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.428 12.536 7.877 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.066 10.063 8.010 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.399 10.353 8.466 1.00 0.06 H new ATOM 1245 N GLY A 77 14.010 11.435 4.790 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.920 11.378 3.659 1.00 0.36 C ATOM 1247 C GLY A 77 15.502 9.964 3.475 1.00 0.57 C ATOM 1248 O GLY A 77 14.801 8.988 3.764 1.00 -0.57 O ATOM 0 H GLY A 77 13.077 11.097 4.556 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.395 11.677 2.752 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.732 12.090 3.807 1.00 0.36 H new ATOM 1252 N PRO A 78 16.750 9.840 2.969 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.388 8.591 2.525 1.00 0.36 C ATOM 1254 C PRO A 78 17.796 7.619 3.664 1.00 0.57 C ATOM 1255 O PRO A 78 18.965 7.251 3.843 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.534 9.027 1.595 1.00 0.00 C ATOM 1257 CG PRO A 78 18.901 10.431 2.073 1.00 0.00 C ATOM 1258 CD PRO A 78 17.595 10.981 2.634 1.00 0.30 C ATOM 0 HA PRO A 78 16.676 7.963 1.990 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.384 8.348 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.218 9.033 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.682 10.403 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.275 11.047 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.783 11.592 3.517 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.103 11.622 1.903 1.00 0.30 H new ATOM 1266 N GLY A 79 16.813 7.185 4.454 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.973 6.284 5.590 1.00 0.36 C ATOM 1268 C GLY A 79 15.613 6.006 6.235 1.00 0.57 C ATOM 1269 O GLY A 79 14.598 6.381 5.661 1.00 -0.57 O ATOM 0 H GLY A 79 15.843 7.465 4.311 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.427 5.349 5.262 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.648 6.726 6.323 1.00 0.36 H new ATOM 1273 N ASN A 80 15.599 5.363 7.413 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.419 5.126 8.261 1.00 0.36 C ATOM 1275 C ASN A 80 13.159 4.691 7.465 1.00 0.57 C ATOM 1276 O ASN A 80 13.282 3.840 6.580 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.246 6.334 9.211 1.00 0.06 C ATOM 1278 CG ASN A 80 13.436 6.022 10.468 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.181 4.869 10.789 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 13.064 7.052 11.219 1.00 -0.80 N ATOM 0 H ASN A 80 16.450 4.976 7.820 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.580 4.250 8.889 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.231 6.696 9.506 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.758 7.144 8.668 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.553 6.892 12.087 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 13.290 8.003 10.928 1.00 -0.80 H new ATOM 1287 N THR A 81 11.963 5.189 7.819 1.00 -0.73 N ATOM 1288 CA THR A 81 10.661 4.972 7.182 1.00 0.36 C ATOM 1289 C THR A 81 10.718 5.201 5.664 1.00 0.57 C ATOM 1290 O THR A 81 10.876 6.339 5.235 1.00 -0.57 O ATOM 1291 CB THR A 81 9.672 5.981 7.809 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.746 5.982 9.221 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.210 5.750 7.425 1.00 0.00 C ATOM 0 H THR A 81 11.879 5.806 8.627 1.00 -0.73 H new ATOM 0 HA THR A 81 10.351 3.940 7.343 1.00 0.36 H new ATOM 0 HB THR A 81 9.987 6.941 7.400 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.108 6.633 9.582 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.584 6.501 7.907 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.101 5.828 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.901 4.757 7.750 1.00 0.00 H new ATOM 1301 N LEU A 82 10.547 4.162 4.838 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.645 4.278 3.380 1.00 0.36 C ATOM 1303 C LEU A 82 9.424 4.953 2.710 1.00 0.57 C ATOM 1304 O LEU A 82 9.559 5.613 1.674 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.896 2.887 2.758 1.00 0.00 C ATOM 1306 CG LEU A 82 12.099 2.099 3.329 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.197 0.723 2.662 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.448 2.792 3.136 1.00 0.00 C ATOM 0 H LEU A 82 10.337 3.218 5.162 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.489 4.940 3.186 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.997 2.285 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.044 3.011 1.685 1.00 0.00 H new ATOM 0 HG LEU A 82 11.905 2.025 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.048 0.179 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.282 0.161 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.331 0.848 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.238 2.175 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.635 2.935 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.434 3.761 3.635 1.00 0.00 H new ATOM 1320 N ALA A 83 8.215 4.783 3.264 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.976 5.338 2.716 1.00 0.36 C ATOM 1322 C ALA A 83 5.900 5.357 3.815 1.00 0.57 C ATOM 1323 O ALA A 83 6.086 4.729 4.860 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.541 4.502 1.498 1.00 0.00 C ATOM 0 H ALA A 83 8.072 4.247 4.120 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.129 6.364 2.380 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.619 4.911 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.322 4.532 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.374 3.470 1.806 1.00 0.00 H new ATOM 1330 N HIS A 84 4.786 6.069 3.619 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.668 6.049 4.556 1.00 0.36 C ATOM 1332 C HIS A 84 2.340 6.262 3.834 1.00 0.57 C ATOM 1333 O HIS A 84 2.279 6.936 2.805 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.874 7.080 5.687 1.00 0.17 C ATOM 1335 CG HIS A 84 3.908 8.550 5.311 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.849 9.463 5.739 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.959 9.269 4.624 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.485 10.681 5.302 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.332 10.616 4.619 1.00 -0.70 N ATOM 0 H HIS A 84 4.638 6.671 2.809 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.632 5.062 5.016 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.076 6.940 6.416 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.811 6.842 6.190 1.00 0.17 H new ATOM 0 HD2 HIS A 84 2.071 8.860 4.164 1.00 0.20 H new ATOM 0 HE1 HIS A 84 5.044 11.588 5.477 1.00 0.65 H new ATOM 0 HE2 HIS A 84 2.830 11.391 4.185 1.00 -0.70 H new ATOM 1348 N ALA A 85 1.249 5.788 4.445 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.098 5.889 3.907 1.00 0.36 C ATOM 1350 C ALA A 85 -1.078 6.224 5.024 1.00 0.57 C ATOM 1351 O ALA A 85 -0.792 5.981 6.200 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.466 4.565 3.230 1.00 0.00 C ATOM 0 H ALA A 85 1.286 5.314 5.347 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.146 6.688 3.167 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.475 4.632 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.237 4.361 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.422 3.758 3.961 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.236 6.775 4.649 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.237 7.247 5.597 1.00 0.36 C ATOM 1360 C PHE A 86 -4.459 6.340 5.537 1.00 0.57 C ATOM 1361 O PHE A 86 -4.811 5.809 4.481 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.630 8.698 5.289 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.474 9.591 4.883 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.291 9.657 5.646 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.561 10.291 3.672 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.201 10.402 5.169 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.479 11.034 3.193 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.295 11.069 3.938 1.00 -0.15 C ATOM 0 H PHE A 86 -2.502 6.905 3.673 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.818 7.217 6.603 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.371 8.698 4.489 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.111 9.125 6.169 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.223 9.138 6.591 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.477 10.256 3.101 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.708 10.462 5.748 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.555 11.574 2.261 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.557 11.616 3.561 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.132 6.196 6.680 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.339 5.396 6.768 1.00 0.36 C ATOM 1380 C ALA A 87 -7.433 5.985 5.868 1.00 0.57 C ATOM 1381 O ALA A 87 -7.553 7.210 5.803 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.816 5.377 8.212 1.00 0.00 C ATOM 0 H ALA A 87 -4.853 6.630 7.560 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.125 4.380 6.435 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.723 4.778 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.042 4.944 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.026 6.395 8.539 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.239 5.156 5.185 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.341 5.635 4.373 1.00 0.36 C ATOM 1390 C PRO A 88 -10.468 6.189 5.246 1.00 0.57 C ATOM 1391 O PRO A 88 -10.594 5.841 6.423 1.00 -0.57 O ATOM 1392 CB PRO A 88 -9.777 4.444 3.529 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.243 3.208 4.225 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.206 3.708 5.227 1.00 0.30 C ATOM 0 HA PRO A 88 -9.049 6.467 3.733 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -10.863 4.404 3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.382 4.520 2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.044 2.667 4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.794 2.520 3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.433 3.346 6.230 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.213 3.337 4.972 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.288 7.052 4.638 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.500 7.596 5.235 1.00 0.36 C ATOM 1404 C GLY A 89 -12.713 9.050 4.821 1.00 0.57 C ATOM 1405 O GLY A 89 -13.764 9.382 4.279 1.00 -0.57 O ATOM 0 H GLY A 89 -11.118 7.397 3.693 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.359 6.998 4.930 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.435 7.530 6.321 1.00 0.36 H new ATOM 1409 N THR A 90 -11.697 9.900 5.031 1.00 -0.73 N ATOM 1410 CA THR A 90 -11.731 11.310 4.638 1.00 0.36 C ATOM 1411 C THR A 90 -11.042 11.512 3.281 1.00 0.57 C ATOM 1412 O THR A 90 -10.490 10.569 2.711 1.00 -0.57 O ATOM 1413 CB THR A 90 -11.161 12.197 5.767 1.00 0.28 C ATOM 1414 OG1 THR A 90 -11.509 13.548 5.521 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -9.638 12.105 5.928 1.00 0.00 C ATOM 0 H THR A 90 -10.825 9.623 5.481 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.764 11.626 4.496 1.00 0.36 H new ATOM 0 HB THR A 90 -11.599 11.827 6.694 1.00 0.28 H new ATOM 0 HG1 THR A 90 -11.150 14.114 6.236 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -9.318 12.757 6.741 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.358 11.077 6.156 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.155 12.416 5.002 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.045 12.754 2.780 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.495 13.111 1.478 1.00 0.36 C ATOM 1425 C GLY A 91 -8.982 12.905 1.406 1.00 0.57 C ATOM 1426 O GLY A 91 -8.513 12.388 0.396 1.00 -0.57 O ATOM 0 H GLY A 91 -11.439 13.550 3.282 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.977 12.511 0.706 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.727 14.154 1.262 1.00 0.36 H new ATOM 1430 N LEU A 92 -8.229 13.245 2.467 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.815 12.868 2.612 1.00 0.36 C ATOM 1432 C LEU A 92 -6.674 11.361 2.864 1.00 0.57 C ATOM 1433 O LEU A 92 -5.668 10.759 2.504 1.00 -0.57 O ATOM 1434 CB LEU A 92 -6.179 13.647 3.785 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.670 13.355 4.018 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.778 14.505 3.539 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.394 13.058 5.498 1.00 0.00 C ATOM 0 H LEU A 92 -8.587 13.791 3.250 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.300 13.117 1.684 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -6.305 14.715 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.726 13.412 4.698 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.423 12.475 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.733 14.256 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.931 14.664 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.034 15.415 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.332 12.857 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.682 13.919 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.972 12.187 5.808 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.665 10.724 3.492 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.597 9.305 3.777 1.00 0.36 C ATOM 1451 C GLY A 93 -7.341 8.499 2.505 1.00 0.57 C ATOM 1452 O GLY A 93 -7.673 8.950 1.402 1.00 -0.57 O ATOM 0 H GLY A 93 -8.522 11.177 3.810 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.802 9.114 4.498 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.530 8.978 4.236 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.706 7.335 2.668 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.321 6.449 1.581 1.00 0.36 C ATOM 1458 C GLY A 94 -5.052 6.892 0.859 1.00 0.57 C ATOM 1459 O GLY A 94 -4.420 6.067 0.197 1.00 -0.57 O ATOM 0 H GLY A 94 -6.441 6.979 3.587 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.173 5.444 1.976 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.138 6.392 0.862 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.670 8.170 0.966 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.555 8.692 0.185 1.00 0.36 C ATOM 1465 C ASP A 95 -2.245 8.190 0.796 1.00 0.57 C ATOM 1466 O ASP A 95 -2.193 7.799 1.967 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.654 10.231 0.085 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.986 10.650 -0.550 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.469 9.920 -1.400 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.638 11.751 -0.187 1.00 -0.65 O ATOM 0 H ASP A 95 -5.115 8.852 1.581 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.587 8.327 -0.841 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.565 10.671 1.078 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.825 10.616 -0.510 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.188 8.165 -0.021 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.088 7.576 0.347 1.00 0.36 C ATOM 1478 C ALA A 96 1.232 8.375 -0.257 1.00 0.57 C ATOM 1479 O ALA A 96 1.115 8.967 -1.335 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.135 6.102 -0.087 1.00 0.00 C ATOM 0 H ALA A 96 -1.201 8.558 -0.962 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.199 7.608 1.431 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.096 5.671 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.667 5.552 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.010 6.037 -1.168 1.00 0.00 H new ATOM 1486 N HIS A 97 2.365 8.368 0.445 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.548 9.117 0.079 1.00 0.36 C ATOM 1488 C HIS A 97 4.782 8.256 0.290 1.00 0.57 C ATOM 1489 O HIS A 97 4.810 7.401 1.166 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.661 10.409 0.892 1.00 0.17 C ATOM 1491 CG HIS A 97 2.636 11.465 0.571 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.959 12.231 1.499 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 2.342 11.940 -0.676 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.224 13.125 0.811 1.00 0.65 C ATOM 1495 NE2 HIS A 97 1.470 12.993 -0.505 1.00 -0.70 N ATOM 0 H HIS A 97 2.480 7.827 1.302 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.470 9.391 -0.973 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.583 10.160 1.950 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.654 10.831 0.736 1.00 0.17 H new ATOM 0 HD1 HIS A 97 2.007 12.137 2.514 1.00 -0.70 H new ATOM 0 HD2 HIS A 97 2.720 11.563 -1.615 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.542 13.839 1.249 1.00 0.65 H new ATOM 1504 N PHE A 98 5.819 8.524 -0.498 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.026 7.718 -0.583 1.00 0.36 C ATOM 1506 C PHE A 98 8.227 8.667 -0.638 1.00 0.57 C ATOM 1507 O PHE A 98 8.113 9.777 -1.173 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.941 6.886 -1.871 1.00 0.14 C ATOM 1509 CG PHE A 98 5.869 5.804 -1.934 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.507 6.144 -2.079 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.232 4.444 -1.873 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.519 5.145 -2.054 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.244 3.442 -1.900 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.887 3.794 -1.973 1.00 -0.15 C ATOM 0 H PHE A 98 5.840 9.336 -1.115 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.133 7.054 0.275 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.780 7.570 -2.704 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.909 6.412 -2.031 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.222 7.178 -2.210 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.274 4.169 -1.805 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.475 5.418 -2.097 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.530 2.401 -1.865 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.128 3.026 -1.967 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.380 8.234 -0.120 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.618 8.998 -0.258 1.00 0.36 C ATOM 1526 C ASP A 99 11.272 8.642 -1.591 1.00 0.57 C ATOM 1527 O ASP A 99 11.884 7.587 -1.734 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.595 8.689 0.877 1.00 0.06 C ATOM 1529 CG ASP A 99 11.237 9.362 2.189 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.185 10.581 2.195 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.072 8.550 3.229 1.00 -0.65 O ATOM 0 H ASP A 99 9.479 7.360 0.397 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.374 10.060 -0.218 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.631 7.610 1.030 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.596 9.002 0.579 1.00 0.06 H new ATOM 1537 N GLU A 100 11.178 9.519 -2.588 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.849 9.322 -3.876 1.00 0.36 C ATOM 1539 C GLU A 100 13.374 9.365 -3.732 1.00 0.57 C ATOM 1540 O GLU A 100 14.097 8.798 -4.541 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.384 10.399 -4.864 1.00 0.00 C ATOM 1542 CG GLU A 100 11.402 9.879 -6.303 1.00 0.06 C ATOM 1543 CD GLU A 100 12.801 9.733 -6.908 1.00 0.66 C ATOM 1544 OE1 GLU A 100 13.537 10.705 -6.872 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 13.060 8.588 -7.534 1.00 -0.65 O ATOM 0 H GLU A 100 10.638 10.382 -2.529 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.582 8.334 -4.251 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.376 10.722 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.030 11.273 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.905 8.910 -6.332 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.819 10.555 -6.928 1.00 0.06 H new ATOM 1553 N ASP A 101 13.863 10.025 -2.680 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.288 10.147 -2.389 1.00 0.36 C ATOM 1555 C ASP A 101 15.962 8.769 -2.265 1.00 0.57 C ATOM 1556 O ASP A 101 17.144 8.594 -2.580 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.428 10.956 -1.092 1.00 0.06 C ATOM 1558 CG ASP A 101 16.733 11.749 -1.001 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.662 11.466 -1.740 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 16.723 12.748 -0.123 1.00 -0.65 O ATOM 0 H ASP A 101 13.269 10.496 -1.998 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.793 10.657 -3.209 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.588 11.645 -1.012 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.366 10.277 -0.242 1.00 0.06 H new ATOM 1566 N GLU A 102 15.172 7.784 -1.828 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.565 6.401 -1.659 1.00 0.36 C ATOM 1568 C GLU A 102 15.472 5.685 -3.006 1.00 0.57 C ATOM 1569 O GLU A 102 14.497 5.832 -3.733 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.625 5.731 -0.652 1.00 0.00 C ATOM 1571 CG GLU A 102 14.543 6.520 0.669 1.00 0.06 C ATOM 1572 CD GLU A 102 13.582 5.894 1.668 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.743 6.172 2.845 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 12.658 5.057 1.205 1.00 -0.65 O ATOM 0 H GLU A 102 14.198 7.947 -1.573 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.589 6.347 -1.290 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.629 5.645 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.972 4.718 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.536 6.579 1.114 1.00 0.06 H new ATOM 0 HG3 GLU A 102 14.227 7.542 0.458 1.00 0.06 H new ATOM 1582 N ARG A 103 16.487 4.895 -3.347 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.537 4.174 -4.619 1.00 0.36 C ATOM 1584 C ARG A 103 15.436 3.108 -4.650 1.00 0.57 C ATOM 1585 O ARG A 103 15.443 2.194 -3.821 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.928 3.555 -4.787 1.00 0.00 C ATOM 1587 CG ARG A 103 19.016 4.637 -4.937 1.00 0.00 C ATOM 1588 CD ARG A 103 20.367 4.106 -4.451 1.00 0.33 C ATOM 1589 NE ARG A 103 21.371 5.182 -4.382 1.00 -0.84 N ATOM 1590 CZ ARG A 103 22.487 5.175 -3.638 1.00 1.20 C ATOM 1591 NH1 ARG A 103 22.760 4.147 -2.830 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 23.337 6.200 -3.716 1.00 -0.97 N ATOM 0 H ARG A 103 17.299 4.736 -2.750 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.362 4.856 -5.451 1.00 0.36 H new ATOM 0 HB2 ARG A 103 18.154 2.928 -3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.935 2.907 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 103 19.092 4.943 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.739 5.522 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 103 20.249 3.652 -3.467 1.00 0.33 H new ATOM 0 HD3 ARG A 103 20.716 3.323 -5.124 1.00 0.33 H new ATOM 0 HE ARG A 103 21.202 6.010 -4.953 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 22.117 3.357 -2.775 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 23.612 4.152 -2.269 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 23.136 6.983 -4.339 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 24.188 6.201 -3.153 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.531 3.195 -5.627 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.425 2.261 -5.814 1.00 0.36 C ATOM 1608 C TRP A 104 13.783 1.332 -6.979 1.00 0.57 C ATOM 1609 O TRP A 104 14.289 1.805 -7.991 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.137 3.055 -6.100 1.00 0.18 C ATOM 1611 CG TRP A 104 11.624 3.877 -4.951 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.843 5.198 -4.750 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.912 3.423 -3.757 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.376 5.564 -3.504 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.803 4.509 -2.841 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.415 2.179 -3.322 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.265 4.370 -1.553 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.863 2.031 -2.035 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.790 3.116 -1.146 1.00 -0.15 C ATOM 0 H TRP A 104 14.550 3.937 -6.327 1.00 -0.73 H new ATOM 0 HA TRP A 104 13.256 1.661 -4.920 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.318 3.717 -6.947 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.358 2.356 -6.402 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.312 5.865 -5.458 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.448 6.507 -3.122 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.458 1.327 -3.984 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.218 5.217 -0.885 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.489 1.066 -1.726 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.372 2.985 -0.159 1.00 -0.15 H new ATOM 1630 N THR A 105 13.501 0.028 -6.873 1.00 -0.73 N ATOM 1631 CA THR A 105 13.821 -0.961 -7.916 1.00 0.36 C ATOM 1632 C THR A 105 12.510 -1.671 -8.307 1.00 0.57 C ATOM 1633 O THR A 105 11.646 -1.863 -7.444 1.00 -0.57 O ATOM 1634 CB THR A 105 14.960 -1.885 -7.398 1.00 0.28 C ATOM 1635 OG1 THR A 105 15.724 -2.498 -8.415 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.495 -3.018 -6.482 1.00 0.00 C ATOM 0 H THR A 105 13.041 -0.376 -6.057 1.00 -0.73 H new ATOM 0 HA THR A 105 14.211 -0.516 -8.831 1.00 0.36 H new ATOM 0 HB THR A 105 15.568 -1.172 -6.841 1.00 0.28 H new ATOM 0 HG1 THR A 105 16.485 -2.968 -8.014 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.355 -3.610 -6.170 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.006 -2.598 -5.603 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.792 -3.655 -7.019 1.00 0.00 H new ATOM 1644 N ASP A 106 12.336 -2.084 -9.574 1.00 -0.73 N ATOM 1645 CA ASP A 106 11.124 -2.783 -10.054 1.00 0.36 C ATOM 1646 C ASP A 106 11.227 -4.315 -9.874 1.00 0.57 C ATOM 1647 O ASP A 106 10.501 -5.083 -10.512 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.703 -2.328 -11.483 1.00 0.06 C ATOM 1649 CG ASP A 106 11.659 -2.641 -12.652 1.00 0.66 C ATOM 1650 OD1 ASP A 106 11.183 -2.725 -13.772 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 12.954 -2.716 -12.358 1.00 -0.65 O ATOM 0 H ASP A 106 13.036 -1.943 -10.302 1.00 -0.73 H new ATOM 0 HA ASP A 106 10.296 -2.479 -9.413 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.739 -2.784 -11.708 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.547 -1.249 -11.458 1.00 0.06 H new ATOM 1657 N GLY A 107 12.113 -4.748 -8.961 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.407 -6.153 -8.668 1.00 0.36 C ATOM 1659 C GLY A 107 13.474 -6.746 -9.601 1.00 0.57 C ATOM 1660 O GLY A 107 13.499 -7.958 -9.834 1.00 -0.57 O ATOM 0 H GLY A 107 12.660 -4.104 -8.390 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.745 -6.241 -7.635 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.491 -6.737 -8.754 1.00 0.36 H new ATOM 1664 N SER A 108 14.341 -5.877 -10.144 1.00 -0.73 N ATOM 1665 CA SER A 108 15.330 -6.214 -11.165 1.00 0.36 C ATOM 1666 C SER A 108 16.398 -7.206 -10.657 1.00 0.57 C ATOM 1667 O SER A 108 16.551 -8.281 -11.241 1.00 -0.57 O ATOM 1668 CB SER A 108 15.936 -4.896 -11.677 1.00 0.28 C ATOM 1669 OG SER A 108 16.902 -5.124 -12.677 1.00 -0.68 O ATOM 0 H SER A 108 14.369 -4.894 -9.873 1.00 -0.73 H new ATOM 0 HA SER A 108 14.846 -6.740 -11.988 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.144 -4.260 -12.073 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.392 -4.357 -10.846 1.00 0.28 H new ATOM 0 HG SER A 108 17.266 -4.267 -12.982 1.00 -0.68 H new ATOM 1675 N SER A 109 17.101 -6.865 -9.562 1.00 -0.73 N ATOM 1676 CA SER A 109 18.196 -7.681 -9.010 1.00 0.36 C ATOM 1677 C SER A 109 18.365 -7.504 -7.499 1.00 0.57 C ATOM 1678 O SER A 109 18.608 -8.489 -6.789 1.00 -0.57 O ATOM 1679 CB SER A 109 19.533 -7.290 -9.665 1.00 0.28 C ATOM 1680 OG SER A 109 19.599 -7.719 -11.007 1.00 -0.68 O ATOM 0 H SER A 109 16.924 -6.011 -9.033 1.00 -0.73 H new ATOM 0 HA SER A 109 17.932 -8.717 -9.220 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.657 -6.208 -9.622 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.357 -7.728 -9.101 1.00 0.28 H new ATOM 0 HG SER A 109 20.460 -7.453 -11.393 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.290 -6.249 -7.032 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.437 -5.827 -5.644 1.00 0.36 C ATOM 1688 C LEU A 110 17.977 -4.369 -5.539 1.00 0.57 C ATOM 1689 O LEU A 110 17.780 -3.700 -6.563 1.00 -0.57 O ATOM 1690 CB LEU A 110 19.885 -6.038 -5.138 1.00 0.00 C ATOM 1691 CG LEU A 110 21.025 -5.402 -5.970 1.00 0.00 C ATOM 1692 CD1 LEU A 110 21.294 -3.936 -5.597 1.00 0.00 C ATOM 1693 CD2 LEU A 110 22.315 -6.208 -5.760 1.00 0.00 C ATOM 0 H LEU A 110 18.115 -5.461 -7.655 1.00 -0.73 H new ATOM 0 HA LEU A 110 17.813 -6.441 -4.994 1.00 0.36 H new ATOM 0 HB2 LEU A 110 19.949 -5.646 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.069 -7.111 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 110 20.708 -5.423 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 110 22.103 -3.546 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.393 -3.346 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.577 -3.874 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 110 23.121 -5.764 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.583 -6.196 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.158 -7.237 -6.083 1.00 0.00 H new ATOM 1705 N GLY A 111 17.778 -3.912 -4.298 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.246 -2.601 -3.961 1.00 0.36 C ATOM 1707 C GLY A 111 15.999 -2.773 -3.098 1.00 0.57 C ATOM 1708 O GLY A 111 15.857 -3.785 -2.407 1.00 -0.57 O ATOM 0 H GLY A 111 17.994 -4.472 -3.474 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.995 -2.018 -3.426 1.00 0.36 H new ATOM 0 HA3 GLY A 111 17.001 -2.050 -4.869 1.00 0.36 H new ATOM 1712 N ILE A 112 15.092 -1.797 -3.168 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.811 -1.793 -2.472 1.00 0.36 C ATOM 1714 C ILE A 112 12.724 -1.995 -3.529 1.00 0.57 C ATOM 1715 O ILE A 112 12.540 -1.125 -4.388 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.682 -0.455 -1.708 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.592 -0.453 -0.457 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.227 -0.165 -1.325 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.733 0.561 -0.579 1.00 0.00 C ATOM 0 H ILE A 112 15.238 -0.960 -3.732 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.719 -2.591 -1.735 1.00 0.36 H new ATOM 0 HB ILE A 112 14.010 0.342 -2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.995 -0.222 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 112 15.007 -1.450 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.174 0.783 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.618 -0.107 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.853 -0.964 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.347 0.528 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 112 16.347 0.315 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.319 1.562 -0.700 1.00 0.00 H new ATOM 1731 N ASN A 113 12.049 -3.155 -3.505 1.00 -0.73 N ATOM 1732 CA ASN A 113 11.032 -3.486 -4.499 1.00 0.36 C ATOM 1733 C ASN A 113 9.848 -2.534 -4.338 1.00 0.57 C ATOM 1734 O ASN A 113 9.095 -2.614 -3.362 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.579 -4.956 -4.436 1.00 0.06 C ATOM 1736 CG ASN A 113 9.598 -5.311 -5.569 1.00 0.57 C ATOM 1737 OD1 ASN A 113 9.136 -4.466 -6.331 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.251 -6.581 -5.709 1.00 -0.80 N ATOM 0 H ASN A 113 12.195 -3.879 -2.801 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.477 -3.361 -5.486 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.452 -5.606 -4.496 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.105 -5.147 -3.474 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.603 -6.854 -6.447 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.632 -7.286 -5.078 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.670 -1.669 -5.334 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.568 -0.729 -5.390 1.00 0.36 C ATOM 1747 C PHE A 114 7.219 -1.441 -5.280 1.00 0.57 C ATOM 1748 O PHE A 114 6.344 -0.970 -4.555 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.668 0.059 -6.698 1.00 0.14 C ATOM 1750 CG PHE A 114 7.634 1.162 -6.815 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.262 0.869 -6.991 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 8.045 2.499 -6.681 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.308 1.890 -6.951 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 7.093 3.525 -6.678 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.725 3.216 -6.771 1.00 -0.15 C ATOM 0 H PHE A 114 10.300 -1.606 -6.134 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.632 -0.047 -4.542 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.664 0.495 -6.776 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.553 -0.627 -7.537 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.949 -0.151 -7.158 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 9.094 2.735 -6.580 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.258 1.659 -7.058 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 7.410 4.555 -6.604 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.991 4.005 -6.703 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.033 -2.563 -5.990 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.753 -3.266 -6.018 1.00 0.36 C ATOM 1767 C LEU A 115 5.394 -3.683 -4.587 1.00 0.57 C ATOM 1768 O LEU A 115 4.235 -3.580 -4.200 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.842 -4.479 -6.975 1.00 0.00 C ATOM 1770 CG LEU A 115 4.503 -5.210 -7.267 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.536 -4.483 -8.193 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.770 -6.582 -7.905 1.00 0.00 C ATOM 0 H LEU A 115 7.761 -3.001 -6.554 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.963 -2.617 -6.395 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.263 -4.141 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.543 -5.200 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 115 4.032 -5.274 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.637 -5.085 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.267 -3.521 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.011 -4.322 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.822 -7.082 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.313 -6.449 -8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.365 -7.190 -7.224 1.00 0.00 H new ATOM 1784 N TYR A 116 6.382 -4.142 -3.804 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.176 -4.614 -2.435 1.00 0.36 C ATOM 1786 C TYR A 116 5.753 -3.446 -1.547 1.00 0.57 C ATOM 1787 O TYR A 116 4.793 -3.561 -0.782 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.472 -5.267 -1.933 1.00 0.14 C ATOM 1789 CG TYR A 116 7.438 -5.774 -0.505 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.794 -4.911 0.553 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.096 -7.112 -0.235 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.808 -5.383 1.878 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.126 -7.595 1.085 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.479 -6.731 2.149 1.00 0.08 C ATOM 1795 OH TYR A 116 7.501 -7.210 3.424 1.00 -0.53 O ATOM 0 H TYR A 116 7.354 -4.195 -4.110 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.380 -5.358 -2.404 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.716 -6.102 -2.590 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.282 -4.543 -2.024 1.00 0.14 H new ATOM 0 HD1 TYR A 116 8.057 -3.884 0.345 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 6.810 -7.769 -1.043 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 8.070 -4.717 2.687 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 6.879 -8.627 1.287 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.288 -6.486 4.049 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.441 -2.308 -1.698 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.116 -1.084 -0.986 1.00 0.36 C ATOM 1807 C ALA A 117 4.687 -0.654 -1.297 1.00 0.57 C ATOM 1808 O ALA A 117 3.903 -0.417 -0.380 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.109 0.003 -1.389 1.00 0.00 C ATOM 0 H ALA A 117 7.242 -2.219 -2.323 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.187 -1.254 0.088 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.873 0.926 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.120 -0.314 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.044 0.175 -2.463 1.00 0.00 H new ATOM 1815 N ALA A 118 4.345 -0.603 -2.590 1.00 -0.73 N ATOM 1816 CA ALA A 118 3.014 -0.249 -3.033 1.00 0.36 C ATOM 1817 C ALA A 118 1.995 -1.229 -2.450 1.00 0.57 C ATOM 1818 O ALA A 118 1.065 -0.769 -1.804 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.963 -0.175 -4.562 1.00 0.00 C ATOM 0 H ALA A 118 4.993 -0.808 -3.351 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.753 0.743 -2.665 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.955 0.092 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.667 0.580 -4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.231 -1.144 -4.982 1.00 0.00 H new ATOM 1825 N THR A 119 2.183 -2.550 -2.575 1.00 -0.73 N ATOM 1826 CA THR A 119 1.300 -3.553 -1.972 1.00 0.36 C ATOM 1827 C THR A 119 1.070 -3.283 -0.482 1.00 0.57 C ATOM 1828 O THR A 119 -0.077 -3.323 -0.039 1.00 -0.57 O ATOM 1829 CB THR A 119 1.893 -4.957 -2.190 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.937 -5.240 -3.565 1.00 -0.68 O ATOM 1831 CG2 THR A 119 1.116 -6.111 -1.550 1.00 0.00 C ATOM 0 H THR A 119 2.958 -2.953 -3.101 1.00 -0.73 H new ATOM 0 HA THR A 119 0.327 -3.493 -2.460 1.00 0.36 H new ATOM 0 HB THR A 119 2.872 -4.908 -1.713 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.521 -6.011 -3.722 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.620 -7.053 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 119 1.068 -5.963 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 119 0.105 -6.139 -1.957 1.00 0.00 H new ATOM 1839 N HIS A 120 2.131 -2.995 0.285 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.001 -2.693 1.708 1.00 0.36 C ATOM 1841 C HIS A 120 1.145 -1.433 1.909 1.00 0.57 C ATOM 1842 O HIS A 120 0.189 -1.436 2.683 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.411 -2.554 2.319 1.00 0.17 C ATOM 1844 CG HIS A 120 3.428 -2.281 3.806 1.00 0.18 C ATOM 1845 ND1 HIS A 120 3.972 -3.082 4.796 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.884 -1.195 4.430 1.00 0.20 C ATOM 1847 CE1 HIS A 120 3.736 -2.499 5.985 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.058 -1.359 5.784 1.00 -0.70 N ATOM 0 H HIS A 120 3.090 -2.966 -0.062 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.487 -3.504 2.224 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.969 -3.470 2.125 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.936 -1.747 1.809 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.466 -3.962 4.649 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.403 -0.357 3.947 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.043 -2.886 6.946 1.00 0.65 H new ATOM 1857 N GLU A 121 1.499 -0.342 1.226 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.892 0.976 1.410 1.00 0.36 C ATOM 1859 C GLU A 121 -0.574 0.970 0.963 1.00 0.57 C ATOM 1860 O GLU A 121 -1.456 1.469 1.664 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.710 1.986 0.592 1.00 0.00 C ATOM 1862 CG GLU A 121 3.143 2.142 1.134 1.00 0.06 C ATOM 1863 CD GLU A 121 3.242 3.302 2.109 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.316 3.029 3.296 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.224 4.525 1.587 1.00 -0.65 O ATOM 0 H GLU A 121 2.231 -0.351 0.515 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.902 1.251 2.465 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.749 1.663 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.210 2.954 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.449 1.221 1.630 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.832 2.302 0.305 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.838 0.338 -0.185 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.163 0.157 -0.757 1.00 0.36 C ATOM 1875 C LEU A 122 -3.038 -0.729 0.136 1.00 0.57 C ATOM 1876 O LEU A 122 -4.255 -0.568 0.168 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.050 -0.479 -2.147 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.402 0.402 -3.237 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -1.017 -0.519 -4.404 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -2.319 1.549 -3.688 1.00 0.00 C ATOM 0 H LEU A 122 -0.102 -0.075 -0.758 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.630 1.139 -0.835 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.473 -1.399 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.049 -0.760 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.516 0.892 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.555 0.071 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.312 -1.274 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.911 -1.009 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.815 2.137 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.243 1.138 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.550 2.187 -2.835 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.434 -1.645 0.896 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.143 -2.374 1.933 1.00 0.36 C ATOM 1894 C GLY A 123 -3.808 -1.419 2.920 1.00 0.57 C ATOM 1895 O GLY A 123 -4.996 -1.552 3.224 1.00 -0.57 O ATOM 0 H GLY A 123 -1.449 -1.896 0.807 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.898 -3.016 1.479 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.448 -3.025 2.464 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.076 -0.398 3.379 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.668 0.609 4.245 1.00 0.36 C ATOM 1901 C HIS A 124 -4.678 1.457 3.481 1.00 0.57 C ATOM 1902 O HIS A 124 -5.744 1.709 4.037 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.605 1.490 4.896 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.663 0.695 5.757 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.989 0.000 6.900 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.334 0.483 5.512 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.871 -0.605 7.337 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.167 -0.331 6.531 1.00 -0.70 N ATOM 0 H HIS A 124 -2.089 -0.254 3.166 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.193 0.084 5.043 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.039 2.007 4.121 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.090 2.256 5.501 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.229 0.876 4.678 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.815 -1.228 8.218 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.129 -0.653 6.641 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.395 1.837 2.223 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.327 2.649 1.440 1.00 0.36 C ATOM 1919 C SER A 125 -6.688 1.967 1.239 1.00 0.57 C ATOM 1920 O SER A 125 -7.709 2.637 1.082 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.715 3.088 0.101 1.00 0.28 C ATOM 1922 OG SER A 125 -4.767 2.098 -0.903 1.00 -0.68 O ATOM 0 H SER A 125 -3.533 1.594 1.734 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.515 3.547 2.028 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.237 3.977 -0.252 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.675 3.372 0.264 1.00 0.28 H new ATOM 0 HG SER A 125 -4.669 1.213 -0.495 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.704 0.630 1.275 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.914 -0.174 1.241 1.00 0.36 C ATOM 1930 C LEU A 126 -8.736 -0.022 2.531 1.00 0.57 C ATOM 1931 O LEU A 126 -9.964 0.083 2.482 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.501 -1.648 1.024 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.364 -2.401 0.005 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.846 -2.253 0.342 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.077 -1.940 -1.431 1.00 0.00 C ATOM 0 H LEU A 126 -5.852 0.071 1.330 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.552 0.166 0.425 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.462 -1.677 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.548 -2.171 1.979 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.102 -3.457 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.442 -2.794 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.036 -2.661 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.119 -1.198 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.708 -2.496 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.291 -0.875 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.029 -2.121 -1.669 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.055 -0.002 3.684 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.668 0.113 5.004 1.00 0.36 C ATOM 1949 C GLY A 127 -8.243 -0.982 5.971 1.00 0.57 C ATOM 1950 O GLY A 127 -9.013 -1.346 6.858 1.00 -0.57 O ATOM 0 H GLY A 127 -7.038 -0.067 3.720 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.412 1.083 5.431 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.752 0.089 4.895 1.00 0.36 H new ATOM 1954 N MET A 128 -7.060 -1.558 5.767 1.00 -0.73 N ATOM 1955 CA MET A 128 -6.597 -2.680 6.567 1.00 0.36 C ATOM 1956 C MET A 128 -5.948 -2.200 7.859 1.00 0.57 C ATOM 1957 O MET A 128 -5.878 -1.001 8.147 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.628 -3.519 5.733 1.00 0.00 C ATOM 1959 CG MET A 128 -6.309 -4.018 4.463 1.00 0.23 C ATOM 1960 SD MET A 128 -7.657 -5.204 4.708 1.00 -0.46 S ATOM 1961 CE MET A 128 -9.043 -4.151 4.217 1.00 0.23 C ATOM 0 H MET A 128 -6.402 -1.260 5.047 1.00 -0.73 H new ATOM 0 HA MET A 128 -7.448 -3.298 6.851 1.00 0.36 H new ATOM 0 HB2 MET A 128 -4.753 -2.923 5.473 1.00 0.00 H new ATOM 0 HB3 MET A 128 -5.274 -4.367 6.320 1.00 0.00 H new ATOM 0 HG2 MET A 128 -6.701 -3.157 3.921 1.00 0.23 H new ATOM 0 HG3 MET A 128 -5.555 -4.480 3.826 1.00 0.23 H new ATOM 0 HE1 MET A 128 -9.953 -4.748 4.165 1.00 0.23 H new ATOM 0 HE2 MET A 128 -9.173 -3.355 4.950 1.00 0.23 H new ATOM 0 HE3 MET A 128 -8.839 -3.714 3.239 1.00 0.23 H new ATOM 1971 N GLY A 129 -5.435 -3.160 8.629 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.764 -2.893 9.876 1.00 0.36 C ATOM 1973 C GLY A 129 -3.332 -3.375 9.847 1.00 0.57 C ATOM 1974 O GLY A 129 -3.036 -4.412 9.253 1.00 -0.57 O ATOM 0 H GLY A 129 -5.480 -4.151 8.391 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.785 -1.822 10.080 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -5.298 -3.383 10.690 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.470 -2.634 10.549 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.129 -3.092 10.874 1.00 0.36 C ATOM 1980 C HIS A 130 -1.166 -4.421 11.648 1.00 0.57 C ATOM 1981 O HIS A 130 -2.203 -4.848 12.169 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.339 -1.999 11.624 1.00 0.17 C ATOM 1983 CG HIS A 130 0.615 -1.218 10.748 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.520 -1.728 9.852 1.00 -0.70 N flip ATOM 1985 CD2 HIS A 130 0.830 0.142 10.791 1.00 0.20 C flip ATOM 1986 CE1 HIS A 130 2.268 -0.677 9.333 1.00 0.65 C flip ATOM 1987 NE2 HIS A 130 1.830 0.433 9.943 1.00 -0.70 N flip ATOM 0 H HIS A 130 -2.688 -1.703 10.904 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.600 -3.286 9.941 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.044 -1.306 12.083 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.225 -2.463 12.433 1.00 0.17 H new ATOM 0 HD2 HIS A 130 0.289 0.851 11.400 1.00 0.20 H new ATOM 0 HE1 HIS A 130 3.046 -0.742 8.587 1.00 0.65 H new ATOM 0 HE2 HIS A 130 2.204 1.369 9.785 1.00 -0.70 H new ATOM 1996 N SER A 131 0.005 -5.065 11.693 1.00 -0.73 N ATOM 1997 CA SER A 131 0.256 -6.358 12.300 1.00 0.36 C ATOM 1998 C SER A 131 1.775 -6.496 12.484 1.00 0.57 C ATOM 1999 O SER A 131 2.526 -5.586 12.126 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.292 -7.468 11.390 1.00 0.28 C ATOM 2001 OG SER A 131 -0.851 -8.496 12.183 1.00 -0.68 O ATOM 0 H SER A 131 0.848 -4.666 11.279 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.242 -6.444 13.266 1.00 0.36 H new ATOM 0 HB2 SER A 131 -1.047 -7.062 10.718 1.00 0.28 H new ATOM 0 HB3 SER A 131 0.507 -7.869 10.766 1.00 0.28 H new ATOM 0 HG SER A 131 -1.202 -9.203 11.602 1.00 -0.68 H new ATOM 2007 N SER A 132 2.213 -7.629 13.034 1.00 -0.73 N ATOM 2008 CA SER A 132 3.616 -7.980 13.189 1.00 0.36 C ATOM 2009 C SER A 132 3.672 -9.509 13.158 1.00 0.57 C ATOM 2010 O SER A 132 3.373 -10.151 14.165 1.00 -0.57 O ATOM 2011 CB SER A 132 4.148 -7.380 14.505 1.00 0.28 C ATOM 2012 OG SER A 132 5.562 -7.331 14.531 1.00 -0.68 O ATOM 0 H SER A 132 1.580 -8.344 13.392 1.00 -0.73 H new ATOM 0 HA SER A 132 4.250 -7.579 12.398 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.748 -6.374 14.633 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.790 -7.975 15.345 1.00 0.28 H new ATOM 0 HG SER A 132 5.860 -6.943 15.380 1.00 -0.68 H new ATOM 2018 N ASP A 133 3.975 -10.099 11.997 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.055 -11.549 11.829 1.00 0.36 C ATOM 2020 C ASP A 133 5.386 -11.808 11.113 1.00 0.57 C ATOM 2021 O ASP A 133 5.705 -11.071 10.171 1.00 -0.57 O ATOM 2022 CB ASP A 133 2.857 -12.094 11.017 1.00 0.06 C ATOM 2023 CG ASP A 133 2.350 -13.467 11.511 1.00 0.66 C ATOM 2024 OD1 ASP A 133 2.598 -14.425 10.797 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 1.689 -13.566 12.661 1.00 -0.65 O ATOM 0 H ASP A 133 4.173 -9.578 11.143 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.013 -12.064 12.789 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.039 -11.375 11.065 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.147 -12.178 9.970 1.00 0.06 H new ATOM 2031 N PRO A 134 6.165 -12.830 11.510 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.480 -13.120 10.946 1.00 0.36 C ATOM 2033 C PRO A 134 7.372 -13.777 9.556 1.00 0.57 C ATOM 2034 O PRO A 134 8.156 -14.667 9.240 1.00 -0.57 O ATOM 2035 CB PRO A 134 8.174 -13.982 12.011 1.00 0.00 C ATOM 2036 CG PRO A 134 7.021 -14.754 12.648 1.00 0.00 C ATOM 2037 CD PRO A 134 5.852 -13.771 12.574 1.00 0.30 C ATOM 0 HA PRO A 134 8.069 -12.225 10.744 1.00 0.36 H new ATOM 0 HB2 PRO A 134 8.910 -14.653 11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 134 8.700 -13.370 12.743 1.00 0.00 H new ATOM 0 HG2 PRO A 134 6.806 -15.675 12.106 1.00 0.00 H new ATOM 0 HG3 PRO A 134 7.245 -15.035 13.677 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.919 -14.294 12.366 1.00 0.30 H new ATOM 0 HD3 PRO A 134 5.722 -13.252 13.524 1.00 0.30 H new ATOM 2045 N ASN A 135 6.410 -13.347 8.722 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.272 -13.711 7.306 1.00 0.36 C ATOM 2047 C ASN A 135 5.178 -12.864 6.612 1.00 0.57 C ATOM 2048 O ASN A 135 4.461 -13.355 5.733 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.031 -15.230 7.135 1.00 0.06 C ATOM 2050 CG ASN A 135 6.879 -15.773 5.992 1.00 0.57 C ATOM 2051 OD1 ASN A 135 7.901 -16.415 6.212 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 6.499 -15.495 4.753 1.00 -0.80 N ATOM 0 H ASN A 135 5.677 -12.709 9.032 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.215 -13.482 6.809 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.278 -15.751 8.060 1.00 0.06 H new ATOM 0 HB3 ASN A 135 4.976 -15.418 6.936 1.00 0.06 H new ATOM 0 HD21 ASN A 135 7.059 -15.816 3.964 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 5.646 -14.960 4.589 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.996 -11.601 7.026 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.872 -10.756 6.614 1.00 0.36 C ATOM 2061 C ALA A 136 4.375 -9.500 5.920 1.00 0.57 C ATOM 2062 O ALA A 136 5.377 -8.927 6.349 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.040 -10.409 7.853 1.00 0.00 C ATOM 0 H ALA A 136 5.637 -11.133 7.667 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.247 -11.292 5.900 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.199 -9.780 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.667 -11.326 8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 136 3.662 -9.874 8.571 1.00 0.00 H new ATOM 2069 N VAL A 137 3.661 -9.036 4.882 1.00 -0.73 N ATOM 2070 CA VAL A 137 4.063 -7.797 4.205 1.00 0.36 C ATOM 2071 C VAL A 137 3.871 -6.611 5.153 1.00 0.57 C ATOM 2072 O VAL A 137 4.637 -5.651 5.089 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.386 -7.580 2.831 1.00 0.00 C ATOM 2074 CG1 VAL A 137 3.568 -8.792 1.903 1.00 0.00 C ATOM 2075 CG2 VAL A 137 1.894 -7.256 2.901 1.00 0.00 C ATOM 0 H VAL A 137 2.827 -9.485 4.503 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.122 -7.887 3.962 1.00 0.36 H new ATOM 0 HB VAL A 137 3.898 -6.706 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.077 -8.597 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.631 -8.965 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.125 -9.674 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.503 -7.120 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.366 -8.076 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.747 -6.340 3.473 1.00 0.00 H new ATOM 2085 N MET A 138 2.895 -6.709 6.071 1.00 -0.73 N ATOM 2086 CA MET A 138 2.630 -5.761 7.152 1.00 0.36 C ATOM 2087 C MET A 138 3.780 -5.600 8.150 1.00 0.57 C ATOM 2088 O MET A 138 3.772 -4.620 8.896 1.00 -0.57 O ATOM 2089 CB MET A 138 1.385 -6.235 7.915 1.00 0.00 C ATOM 2090 CG MET A 138 0.530 -5.135 8.510 1.00 0.23 C ATOM 2091 SD MET A 138 -0.088 -3.901 7.329 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.304 -4.872 6.388 1.00 0.23 C ATOM 0 H MET A 138 2.241 -7.492 6.074 1.00 -0.73 H new ATOM 0 HA MET A 138 2.491 -4.787 6.684 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.768 -6.826 7.238 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.703 -6.900 8.718 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.323 -5.592 9.011 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.111 -4.621 9.276 1.00 0.23 H new ATOM 0 HE1 MET A 138 -1.934 -4.200 5.805 1.00 0.23 H new ATOM 0 HE2 MET A 138 -0.783 -5.555 5.716 1.00 0.23 H new ATOM 0 HE3 MET A 138 -1.925 -5.444 7.077 1.00 0.23 H new ATOM 2102 N TYR A 139 4.730 -6.546 8.197 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.857 -6.513 9.127 1.00 0.36 C ATOM 2104 C TYR A 139 6.608 -5.178 8.977 1.00 0.57 C ATOM 2105 O TYR A 139 6.920 -4.792 7.848 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.764 -7.719 8.844 1.00 0.14 C ATOM 2107 CG TYR A 139 7.941 -7.891 9.783 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.734 -8.297 11.118 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.252 -7.666 9.316 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.829 -8.473 11.984 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.349 -7.839 10.176 1.00 -0.15 C ATOM 2112 CZ TYR A 139 10.146 -8.244 11.515 1.00 0.08 C ATOM 2113 OH TYR A 139 11.225 -8.410 12.332 1.00 -0.53 O ATOM 0 H TYR A 139 4.733 -7.361 7.583 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.511 -6.580 10.159 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.157 -8.624 8.882 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.144 -7.633 7.826 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.731 -8.474 11.477 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.413 -7.359 8.293 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 8.665 -8.783 13.006 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.351 -7.662 9.813 1.00 -0.15 H new ATOM 0 HH TYR A 139 12.045 -8.208 11.835 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.874 -4.440 10.072 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.572 -3.167 9.987 1.00 0.36 C ATOM 2125 C PRO A 140 9.052 -3.421 9.686 1.00 0.57 C ATOM 2126 O PRO A 140 9.673 -4.264 10.336 1.00 -0.57 O ATOM 2127 CB PRO A 140 7.354 -2.488 11.341 1.00 0.00 C ATOM 2128 CG PRO A 140 7.123 -3.645 12.314 1.00 0.00 C ATOM 2129 CD PRO A 140 6.535 -4.763 11.451 1.00 0.30 C ATOM 0 HA PRO A 140 7.203 -2.526 9.186 1.00 0.36 H new ATOM 0 HB2 PRO A 140 8.220 -1.892 11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.498 -1.814 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 140 8.054 -3.957 12.787 1.00 0.00 H new ATOM 0 HG3 PRO A 140 6.439 -3.360 13.114 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.947 -5.731 11.736 1.00 0.30 H new ATOM 0 HD3 PRO A 140 5.455 -4.826 11.581 1.00 0.30 H new ATOM 2137 N THR A 141 9.600 -2.643 8.739 1.00 -0.73 N ATOM 2138 CA THR A 141 10.950 -2.778 8.185 1.00 0.36 C ATOM 2139 C THR A 141 11.111 -4.081 7.371 1.00 0.57 C ATOM 2140 O THR A 141 10.454 -5.091 7.616 1.00 -0.57 O ATOM 2141 CB THR A 141 11.997 -2.535 9.306 1.00 0.28 C ATOM 2142 OG1 THR A 141 12.079 -1.139 9.522 1.00 -0.68 O ATOM 2143 CG2 THR A 141 13.406 -3.063 9.031 1.00 0.00 C ATOM 0 H THR A 141 9.087 -1.867 8.321 1.00 -0.73 H new ATOM 0 HA THR A 141 11.136 -2.004 7.440 1.00 0.36 H new ATOM 0 HB THR A 141 11.644 -3.096 10.172 1.00 0.28 H new ATOM 0 HG1 THR A 141 12.733 -0.955 10.228 1.00 -0.68 H new ATOM 0 HG21 THR A 141 14.051 -2.837 9.880 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.367 -4.142 8.881 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.805 -2.586 8.136 1.00 0.00 H new ATOM 2151 N TYR A 142 11.980 -4.052 6.347 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.324 -5.250 5.584 1.00 0.36 C ATOM 2153 C TYR A 142 13.005 -6.268 6.508 1.00 0.57 C ATOM 2154 O TYR A 142 13.952 -5.925 7.218 1.00 -0.57 O ATOM 2155 CB TYR A 142 13.249 -4.907 4.401 1.00 0.14 C ATOM 2156 CG TYR A 142 12.562 -4.640 3.074 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.654 -5.579 2.540 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.916 -3.509 2.316 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.079 -5.375 1.274 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.378 -3.324 1.033 1.00 -0.15 C ATOM 2161 CZ TYR A 142 11.445 -4.244 0.509 1.00 0.08 C ATOM 2162 OH TYR A 142 10.911 -4.039 -0.730 1.00 -0.53 O ATOM 0 H TYR A 142 12.455 -3.206 6.032 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.407 -5.679 5.180 1.00 0.36 H new ATOM 0 HB2 TYR A 142 13.835 -4.028 4.667 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.952 -5.729 4.265 1.00 0.14 H new ATOM 0 HD1 TYR A 142 11.399 -6.461 3.109 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.603 -2.782 2.722 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 10.359 -6.081 0.886 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 12.680 -2.472 0.443 1.00 -0.15 H new ATOM 0 HH TYR A 142 9.945 -4.204 -0.701 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.551 -7.525 6.464 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.105 -8.595 7.280 1.00 0.36 C ATOM 2174 C GLY A 143 12.573 -9.943 6.810 1.00 0.57 C ATOM 2175 O GLY A 143 13.004 -10.435 5.772 1.00 -0.57 O ATOM 0 H GLY A 143 11.787 -7.823 5.858 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.193 -8.583 7.218 1.00 0.36 H new ATOM 0 HA3 GLY A 143 12.844 -8.437 8.326 1.00 0.36 H new ATOM 2179 N ASN A 144 11.633 -10.531 7.562 1.00 -0.73 N ATOM 2180 CA ASN A 144 11.065 -11.838 7.228 1.00 0.36 C ATOM 2181 C ASN A 144 10.284 -11.831 5.902 1.00 0.57 C ATOM 2182 O ASN A 144 10.266 -12.857 5.222 1.00 -0.57 O ATOM 2183 CB ASN A 144 10.142 -12.330 8.359 1.00 0.06 C ATOM 2184 CG ASN A 144 10.822 -13.262 9.365 1.00 0.57 C ATOM 2185 OD1 ASN A 144 10.992 -12.923 10.537 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 11.194 -14.463 8.938 1.00 -0.80 N ATOM 0 H ASN A 144 11.250 -10.116 8.411 1.00 -0.73 H new ATOM 0 HA ASN A 144 11.909 -12.517 7.110 1.00 0.36 H new ATOM 0 HB2 ASN A 144 9.747 -11.465 8.892 1.00 0.06 H new ATOM 0 HB3 ASN A 144 9.291 -12.849 7.918 1.00 0.06 H new ATOM 0 HD21 ASN A 144 11.628 -15.122 9.584 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 11.045 -14.727 7.964 1.00 -0.80 H new ATOM 2193 N GLY A 145 9.614 -10.723 5.552 1.00 -0.73 N ATOM 2194 CA GLY A 145 8.873 -10.617 4.293 1.00 0.36 C ATOM 2195 C GLY A 145 9.837 -10.546 3.104 1.00 0.57 C ATOM 2196 O GLY A 145 10.888 -9.915 3.207 1.00 -0.57 O ATOM 0 H GLY A 145 9.572 -9.884 6.130 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 8.211 -11.476 4.181 1.00 0.36 H new ATOM 0 HA3 GLY A 145 8.242 -9.728 4.310 1.00 0.36 H new ATOM 2200 N ASP A 146 9.476 -11.176 1.975 1.00 -0.73 N ATOM 2201 CA ASP A 146 10.380 -11.382 0.843 1.00 0.36 C ATOM 2202 C ASP A 146 9.935 -10.493 -0.331 1.00 0.57 C ATOM 2203 O ASP A 146 8.884 -10.759 -0.923 1.00 -0.57 O ATOM 2204 CB ASP A 146 10.418 -12.874 0.451 1.00 0.06 C ATOM 2205 CG ASP A 146 11.409 -13.200 -0.684 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.804 -12.294 -1.399 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 11.742 -14.470 -0.897 1.00 -0.65 O ATOM 0 H ASP A 146 8.542 -11.557 1.826 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.394 -11.097 1.123 1.00 0.36 H new ATOM 0 HB2 ASP A 146 10.681 -13.463 1.329 1.00 0.06 H new ATOM 0 HB3 ASP A 146 9.418 -13.185 0.147 1.00 0.06 H new ATOM 2213 N PRO A 147 10.712 -9.457 -0.707 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.359 -8.571 -1.808 1.00 0.36 C ATOM 2215 C PRO A 147 10.338 -9.267 -3.173 1.00 0.57 C ATOM 2216 O PRO A 147 9.769 -8.705 -4.111 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.386 -7.438 -1.786 1.00 0.00 C ATOM 2218 CG PRO A 147 12.571 -7.962 -0.976 1.00 0.00 C ATOM 2219 CD PRO A 147 12.014 -9.119 -0.150 1.00 0.30 C ATOM 0 HA PRO A 147 9.341 -8.207 -1.672 1.00 0.36 H new ATOM 0 HB2 PRO A 147 11.692 -7.169 -2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.968 -6.541 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.377 -8.297 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.984 -7.184 -0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.684 -9.978 -0.190 1.00 0.30 H new ATOM 0 HD3 PRO A 147 11.922 -8.834 0.898 1.00 0.30 H new ATOM 2227 N GLN A 148 10.923 -10.462 -3.306 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.915 -11.241 -4.537 1.00 0.36 C ATOM 2229 C GLN A 148 9.907 -12.397 -4.441 1.00 0.57 C ATOM 2230 O GLN A 148 9.697 -13.102 -5.429 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.349 -11.718 -4.862 1.00 0.00 C ATOM 2232 CG GLN A 148 12.965 -10.981 -6.063 1.00 0.06 C ATOM 2233 CD GLN A 148 12.424 -11.423 -7.442 1.00 0.57 C ATOM 2234 OE1 GLN A 148 11.215 -11.487 -7.675 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 13.327 -11.695 -8.380 1.00 -0.80 N ATOM 0 H GLN A 148 11.423 -10.919 -2.543 1.00 -0.73 H new ATOM 0 HA GLN A 148 10.585 -10.615 -5.366 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.983 -11.571 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 148 12.333 -12.788 -5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.788 -9.912 -5.945 1.00 0.06 H new ATOM 0 HG3 GLN A 148 14.045 -11.129 -6.047 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.322 -11.635 -8.163 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 13.025 -11.964 -9.316 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.206 -12.580 -3.313 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.220 -13.648 -3.163 1.00 0.36 C ATOM 2246 C ASN A 149 7.039 -13.141 -2.350 1.00 0.57 C ATOM 2247 O ASN A 149 6.908 -13.460 -1.174 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.841 -14.899 -2.530 1.00 0.06 C ATOM 2249 CG ASN A 149 9.760 -15.617 -3.498 1.00 0.57 C ATOM 2250 OD1 ASN A 149 9.274 -16.253 -4.438 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 11.063 -15.522 -3.267 1.00 -0.80 N ATOM 0 H ASN A 149 9.309 -11.993 -2.486 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.865 -13.939 -4.152 1.00 0.36 H new ATOM 0 HB2 ASN A 149 9.400 -14.617 -1.638 1.00 0.06 H new ATOM 0 HB3 ASN A 149 8.049 -15.576 -2.209 1.00 0.06 H new ATOM 0 HD21 ASN A 149 11.726 -15.991 -3.885 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 11.402 -14.980 -2.472 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.174 -12.362 -3.009 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.032 -11.702 -2.382 1.00 0.36 C ATOM 2260 C PHE A 150 4.195 -12.651 -1.546 1.00 0.57 C ATOM 2261 O PHE A 150 4.088 -12.438 -0.342 1.00 -0.57 O ATOM 2262 CB PHE A 150 4.138 -11.097 -3.467 1.00 0.14 C ATOM 2263 CG PHE A 150 4.510 -9.709 -3.891 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.847 -9.263 -3.865 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.475 -8.857 -4.311 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 6.142 -7.949 -4.230 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.776 -7.554 -4.704 1.00 -0.15 C ATOM 2268 CZ PHE A 150 5.102 -7.107 -4.627 1.00 -0.15 C ATOM 0 H PHE A 150 6.252 -12.172 -4.008 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.431 -10.933 -1.721 1.00 0.36 H new ATOM 0 HB2 PHE A 150 4.163 -11.747 -4.342 1.00 0.14 H new ATOM 0 HB3 PHE A 150 3.110 -11.087 -3.106 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.638 -9.934 -3.564 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 2.454 -9.209 -4.329 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 7.160 -7.589 -4.206 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.997 -6.897 -5.063 1.00 -0.15 H new ATOM 0 HZ PHE A 150 5.326 -6.082 -4.882 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.611 -13.649 -2.235 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.704 -14.666 -1.717 1.00 0.36 C ATOM 2280 C LYS A 151 1.978 -14.178 -0.460 1.00 0.57 C ATOM 2281 O LYS A 151 2.311 -14.601 0.647 1.00 -0.57 O ATOM 2282 CB LYS A 151 3.451 -15.995 -1.512 1.00 0.00 C ATOM 2283 CG LYS A 151 3.918 -16.653 -2.826 1.00 0.00 C ATOM 2284 CD LYS A 151 5.322 -16.234 -3.316 1.00 0.00 C ATOM 2285 CE LYS A 151 6.282 -17.441 -3.429 1.00 0.50 C ATOM 2286 NZ LYS A 151 6.822 -17.662 -4.798 1.00 -0.85 N ATOM 0 H LYS A 151 3.778 -13.766 -3.235 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.924 -14.854 -2.454 1.00 0.36 H new ATOM 0 HB2 LYS A 151 4.318 -15.820 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.800 -16.689 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.906 -17.735 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 151 3.195 -16.418 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 151 5.236 -15.747 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 151 5.742 -15.500 -2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 151 7.115 -17.295 -2.741 1.00 0.50 H new ATOM 0 HE3 LYS A 151 5.757 -18.340 -3.108 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 6.928 -18.682 -4.969 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 6.167 -17.260 -5.499 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 7.749 -17.198 -4.885 1.00 -0.85 H new ATOM 2300 N LEU A 152 1.024 -13.257 -0.683 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.145 -12.642 0.312 1.00 0.36 C ATOM 2302 C LEU A 152 -0.151 -13.676 1.408 1.00 0.57 C ATOM 2303 O LEU A 152 -0.667 -14.755 1.096 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.149 -12.124 -0.369 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.002 -10.968 -1.395 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -0.837 -11.513 -2.823 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.228 -10.032 -1.425 1.00 0.00 C ATOM 0 H LEU A 152 0.840 -12.905 -1.622 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.628 -11.780 0.772 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.624 -12.965 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.833 -11.795 0.413 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.121 -10.413 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -0.736 -10.681 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.054 -12.139 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.712 -12.106 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.066 -9.244 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.116 -10.604 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.369 -9.586 -0.441 1.00 0.00 H new ATOM 2319 N SER A 153 0.279 -13.423 2.651 1.00 -0.73 N ATOM 2320 CA SER A 153 0.416 -14.510 3.621 1.00 0.36 C ATOM 2321 C SER A 153 -0.850 -14.636 4.459 1.00 0.57 C ATOM 2322 O SER A 153 -1.673 -15.530 4.240 1.00 -0.57 O ATOM 2323 CB SER A 153 1.681 -14.316 4.472 1.00 0.28 C ATOM 2324 OG SER A 153 1.774 -13.053 5.089 1.00 -0.68 O ATOM 0 H SER A 153 0.532 -12.498 3.000 1.00 -0.73 H new ATOM 0 HA SER A 153 0.538 -15.455 3.091 1.00 0.36 H new ATOM 0 HB2 SER A 153 1.709 -15.087 5.242 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.557 -14.465 3.840 1.00 0.28 H new ATOM 0 HG SER A 153 2.644 -12.968 5.531 1.00 -0.68 H new ATOM 2330 N GLN A 154 -1.009 -13.704 5.401 1.00 -0.73 N ATOM 2331 CA GLN A 154 -2.157 -13.617 6.287 1.00 0.36 C ATOM 2332 C GLN A 154 -2.519 -12.157 6.500 1.00 0.57 C ATOM 2333 O GLN A 154 -3.669 -11.805 6.300 1.00 -0.57 O ATOM 2334 CB GLN A 154 -1.873 -14.294 7.639 1.00 0.00 C ATOM 2335 CG GLN A 154 -1.836 -15.825 7.562 1.00 0.06 C ATOM 2336 CD GLN A 154 -1.470 -16.413 8.924 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -2.345 -16.610 9.769 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -0.186 -16.682 9.146 1.00 -0.80 N ATOM 0 H GLN A 154 -0.319 -12.971 5.568 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.993 -14.140 5.823 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -0.918 -13.934 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -2.638 -13.993 8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -2.807 -16.204 7.243 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -1.109 -16.141 6.814 1.00 0.06 H new ATOM 0 HE21 GLN A 154 0.506 -16.503 8.418 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 0.107 -17.067 10.044 1.00 -0.80 H new ATOM 2347 N ASP A 155 -1.574 -11.281 6.839 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.872 -9.861 7.024 1.00 0.36 C ATOM 2349 C ASP A 155 -2.619 -9.257 5.824 1.00 0.57 C ATOM 2350 O ASP A 155 -3.493 -8.411 6.008 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.568 -9.117 7.274 1.00 0.06 C ATOM 2352 CG ASP A 155 0.267 -9.018 5.992 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.895 -10.006 5.647 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.293 -7.852 5.352 1.00 -0.65 O ATOM 0 H ASP A 155 -0.596 -11.529 6.991 1.00 -0.73 H new ATOM 0 HA ASP A 155 -2.536 -9.758 7.882 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.783 -8.117 7.649 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.005 -9.631 8.046 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.319 -9.774 4.629 1.00 -0.73 N ATOM 2361 CA ASP A 156 -3.044 -9.541 3.396 1.00 0.36 C ATOM 2362 C ASP A 156 -4.330 -10.395 3.358 1.00 0.57 C ATOM 2363 O ASP A 156 -5.404 -9.899 3.688 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.135 -9.932 2.230 1.00 0.06 C ATOM 2365 CG ASP A 156 -0.969 -8.994 1.913 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.121 -7.794 2.075 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 0.118 -9.573 1.411 1.00 -0.65 O ATOM 0 H ASP A 156 -1.522 -10.397 4.499 1.00 -0.73 H new ATOM 0 HA ASP A 156 -3.328 -8.491 3.327 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.727 -10.922 2.436 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.751 -10.021 1.335 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.238 -11.679 2.958 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.396 -12.535 2.652 1.00 0.36 C ATOM 2375 C ILE A 157 -6.293 -12.691 3.884 1.00 0.57 C ATOM 2376 O ILE A 157 -7.507 -12.508 3.792 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.930 -13.919 2.111 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.386 -13.786 0.670 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.052 -14.984 2.137 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.743 -15.066 0.118 1.00 0.00 C ATOM 0 H ILE A 157 -3.344 -12.155 2.838 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.984 -12.054 1.870 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.138 -14.256 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.203 -13.490 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -3.649 -12.983 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.668 -15.927 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.395 -15.127 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.885 -14.650 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.388 -14.886 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -2.903 -15.353 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -4.481 -15.868 0.108 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.708 -13.044 5.035 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.445 -13.215 6.283 1.00 0.36 C ATOM 2394 C LYS A 158 -6.942 -11.858 6.777 1.00 0.57 C ATOM 2395 O LYS A 158 -8.049 -11.815 7.289 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.600 -13.965 7.340 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.384 -14.431 8.580 1.00 0.00 C ATOM 2398 CD LYS A 158 -6.277 -13.476 9.784 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.898 -13.472 10.474 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.613 -14.724 11.213 1.00 -0.85 N ATOM 0 H LYS A 158 -4.707 -13.219 5.122 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.318 -13.842 6.101 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -5.143 -14.835 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.788 -13.314 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -7.434 -14.545 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.023 -15.416 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -6.506 -12.464 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -7.036 -13.749 10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -4.123 -13.316 9.723 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.847 -12.630 11.164 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -4.263 -14.493 12.165 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.484 -15.287 11.291 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -3.892 -15.272 10.702 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.196 -10.759 6.605 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.639 -9.418 6.978 1.00 0.36 C ATOM 2416 C GLY A 159 -7.871 -9.005 6.177 1.00 0.57 C ATOM 2417 O GLY A 159 -8.867 -8.567 6.750 1.00 -0.57 O ATOM 0 H GLY A 159 -5.260 -10.781 6.199 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.868 -9.390 8.043 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.833 -8.704 6.806 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.846 -9.238 4.864 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.994 -9.062 3.986 1.00 0.36 C ATOM 2423 C ILE A 160 -10.153 -9.967 4.422 1.00 0.57 C ATOM 2424 O ILE A 160 -11.277 -9.486 4.578 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.536 -9.307 2.527 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.808 -8.068 1.973 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.688 -9.712 1.605 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.716 -6.858 1.700 1.00 0.00 C ATOM 0 H ILE A 160 -7.010 -9.560 4.376 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.379 -8.044 4.050 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.842 -10.148 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -7.034 -7.772 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.304 -8.343 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -9.308 -9.870 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -10.140 -10.634 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.438 -8.921 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.117 -6.034 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.475 -7.131 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.200 -6.550 2.627 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.892 -11.256 4.657 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.909 -12.196 5.124 1.00 0.36 C ATOM 2442 C GLN A 161 -11.398 -11.889 6.552 1.00 0.57 C ATOM 2443 O GLN A 161 -12.467 -12.367 6.922 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.381 -13.633 4.981 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.611 -14.196 3.565 1.00 0.06 C ATOM 2446 CD GLN A 161 -12.005 -14.818 3.434 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -12.926 -14.231 2.879 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -12.186 -16.008 3.994 1.00 -0.80 N ATOM 0 H GLN A 161 -8.971 -11.675 4.528 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.792 -12.083 4.495 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.315 -13.652 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.875 -14.275 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.496 -13.399 2.831 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.853 -14.947 3.342 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -11.406 -16.480 4.451 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -13.105 -16.450 3.967 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.665 -11.082 7.334 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.077 -10.567 8.641 1.00 0.36 C ATOM 2459 C LYS A 162 -11.971 -9.328 8.472 1.00 0.57 C ATOM 2460 O LYS A 162 -12.877 -9.141 9.281 1.00 -0.57 O ATOM 2461 CB LYS A 162 -9.820 -10.224 9.483 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.074 -10.060 10.995 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.856 -11.374 11.773 1.00 0.00 C ATOM 2464 CE LYS A 162 -10.793 -11.517 12.985 1.00 0.50 C ATOM 2465 NZ LYS A 162 -10.374 -10.733 14.172 1.00 -0.85 N ATOM 0 H LYS A 162 -9.736 -10.761 7.060 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.654 -11.331 9.161 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.078 -11.009 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.386 -9.300 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.410 -9.292 11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.095 -9.712 11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.010 -12.218 11.100 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -8.821 -11.421 12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -11.796 -11.206 12.693 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -10.853 -12.570 13.261 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -11.055 -10.882 14.944 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -9.430 -11.044 14.478 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -10.343 -9.723 13.928 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.713 -8.473 7.465 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.456 -7.218 7.278 1.00 0.36 C ATOM 2481 C LEU A 163 -13.723 -7.399 6.435 1.00 0.57 C ATOM 2482 O LEU A 163 -14.775 -6.870 6.797 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.560 -6.146 6.612 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.494 -4.823 7.414 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -10.078 -4.616 7.969 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -11.918 -3.614 6.565 1.00 0.00 C ATOM 0 H LEU A 163 -10.989 -8.633 6.764 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.757 -6.892 8.274 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.552 -6.544 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.937 -5.938 5.611 1.00 0.00 H new ATOM 0 HG LEU A 163 -12.199 -4.901 8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -10.041 -3.683 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.820 -5.447 8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -9.367 -4.571 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -11.857 -2.707 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -11.255 -3.524 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.943 -3.753 6.221 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.608 -8.098 5.298 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.690 -8.277 4.326 1.00 0.36 C ATOM 2500 C TYR A 164 -15.272 -9.680 4.429 1.00 0.57 C ATOM 2501 O TYR A 164 -16.490 -9.860 4.354 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.153 -8.129 2.896 1.00 0.14 C ATOM 2503 CG TYR A 164 -13.796 -6.727 2.469 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.520 -6.208 2.756 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.715 -5.977 1.709 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.166 -4.934 2.286 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.364 -4.706 1.230 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.085 -4.178 1.528 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.746 -2.928 1.127 1.00 -0.53 O ATOM 0 H TYR A 164 -12.742 -8.563 5.025 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.447 -7.523 4.541 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.267 -8.756 2.794 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -14.901 -8.519 2.205 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -11.816 -6.787 3.335 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -15.693 -6.382 1.494 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.188 -4.531 2.505 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.064 -4.135 0.638 1.00 -0.15 H new ATOM 0 HH TYR A 164 -12.266 -2.472 1.849 1.00 -0.53 H new