USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1128 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 10 SER OG : rot 180:sc= 0.518 USER MOD Set 1.2: A 141 SER OG : rot -85:sc= 0.942 USER MOD Set 2.1: A 99 GLN :FLIP amide:sc= -0.804 F(o=-3.6!,f=-0.8) USER MOD Set 2.2: A 139 GLN : amide:sc= 0 K(o=-0.8,f=-3.1!) USER MOD Set 3.1: A 81 TYR OH : rot 180:sc= -0.125 USER MOD Set 3.2: A 129 GLN : amide:sc= -0.0579 K(o=-0.18,f=-2.1!) USER MOD Set 4.1: A 37 THR OG1 : rot -77:sc= 0.899 USER MOD Set 4.2: A 38 HIS : no HD1:sc= -0.0125 X(o=0.89,f=0.9) USER MOD Set 5.1: A 36 SER OG : rot -119:sc= 1.02 USER MOD Set 5.2: A 42 LYS NZ :NH3+ 177:sc= 1.2 (180deg=-0.0564) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00501 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -56:sc= 0.978 USER MOD Single : A 45 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.089) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.115 (180deg=-0.518) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -47:sc= 0.951 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.569 F(o=-3.4!,f=-0.57) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.312 F(o=-1.5,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= 1.34 (180deg=1.06) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 32:sc= 0.432 USER MOD Single : A 104 THR OG1 : rot 46:sc= 0.413 USER MOD Single : A 113 GLN : amide:sc= -0.0977 K(o=-0.098,f=-0.82) USER MOD Single : A 117 LYS NZ :NH3+ 158:sc= 2.28 (180deg=2.07) USER MOD Single : A 123 MET CE :methyl -165:sc= -0.0214 (180deg=-0.313) USER MOD Single : A 125 TYR OH : rot 69:sc= -0.295 USER MOD Single : A 126 LYS NZ :NH3+ -160:sc= -2.35! (180deg=-3.75!) USER MOD Single : A 128 MET CE :methyl -129:sc= -0.0688 (180deg=-1.76!) USER MOD Single : A 130 LYS NZ :NH3+ -108:sc= -1.34 (180deg=-3.37!) USER MOD Single : A 134 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.5) USER MOD Single : A 135 GLN : amide:sc= -0.657 K(o=-0.66,f=-5!) USER MOD Single : A 144 THR OG1 : rot -31:sc= 0.825 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -5.584 18.805 -2.144 1.00 45.24 N ATOM 137 CA VAL A 9 -5.693 17.407 -2.587 1.00 43.23 C ATOM 138 C VAL A 9 -5.644 16.422 -1.401 1.00 42.45 C ATOM 139 O VAL A 9 -6.536 15.585 -1.247 1.00 31.30 O ATOM 140 CB VAL A 9 -4.601 17.048 -3.635 1.00 30.43 C ATOM 141 CG1 VAL A 9 -3.205 17.407 -3.134 1.00 63.45 C ATOM 142 CG2 VAL A 9 -4.678 15.566 -4.017 1.00 21.42 C ATOM 0 HA VAL A 9 -6.668 17.309 -3.065 1.00 43.23 H new ATOM 0 HB VAL A 9 -4.794 17.642 -4.528 1.00 30.43 H new ATOM 0 HG11 VAL A 9 -2.467 17.142 -3.892 1.00 63.45 H new ATOM 0 HG12 VAL A 9 -3.154 18.478 -2.936 1.00 63.45 H new ATOM 0 HG13 VAL A 9 -2.995 16.858 -2.216 1.00 63.45 H new ATOM 0 HG21 VAL A 9 -3.905 15.339 -4.751 1.00 21.42 H new ATOM 0 HG22 VAL A 9 -4.526 14.953 -3.129 1.00 21.42 H new ATOM 0 HG23 VAL A 9 -5.658 15.351 -4.444 1.00 21.42 H new ATOM 152 N SER A 10 -4.607 16.529 -0.566 1.00 72.51 N ATOM 153 CA SER A 10 -4.457 15.663 0.620 1.00 2.52 C ATOM 154 C SER A 10 -3.221 16.065 1.434 1.00 14.15 C ATOM 155 O SER A 10 -2.282 15.284 1.587 1.00 14.11 O ATOM 156 CB SER A 10 -4.340 14.183 0.213 1.00 55.11 C ATOM 157 OG SER A 10 -4.424 13.327 1.346 1.00 11.40 O ATOM 0 H SER A 10 -3.854 17.207 -0.685 1.00 72.51 H new ATOM 0 HA SER A 10 -5.349 15.792 1.234 1.00 2.52 H new ATOM 0 HB2 SER A 10 -5.132 13.934 -0.493 1.00 55.11 H new ATOM 0 HB3 SER A 10 -3.393 14.019 -0.300 1.00 55.11 H new ATOM 0 HG SER A 10 -4.348 12.394 1.057 1.00 11.40 H new ATOM 163 N GLU A 11 -3.229 17.286 1.964 1.00 64.23 N ATOM 164 CA GLU A 11 -2.051 17.842 2.641 1.00 21.22 C ATOM 165 C GLU A 11 -2.145 17.736 4.171 1.00 43.35 C ATOM 166 O GLU A 11 -3.233 17.687 4.747 1.00 14.00 O ATOM 167 CB GLU A 11 -1.845 19.302 2.223 1.00 21.52 C ATOM 168 CG GLU A 11 -1.653 19.478 0.722 1.00 4.30 C ATOM 169 CD GLU A 11 -1.303 20.903 0.336 1.00 73.53 C ATOM 170 OE1 GLU A 11 -2.228 21.706 0.091 1.00 34.11 O ATOM 171 OE2 GLU A 11 -0.100 21.221 0.259 1.00 54.54 O ATOM 0 H GLU A 11 -4.035 17.911 1.940 1.00 64.23 H new ATOM 0 HA GLU A 11 -1.192 17.247 2.332 1.00 21.22 H new ATOM 0 HB2 GLU A 11 -2.706 19.889 2.543 1.00 21.52 H new ATOM 0 HB3 GLU A 11 -0.975 19.702 2.743 1.00 21.52 H new ATOM 0 HG2 GLU A 11 -0.862 18.810 0.381 1.00 4.30 H new ATOM 0 HG3 GLU A 11 -2.566 19.181 0.206 1.00 4.30 H new ATOM 178 N LEU A 12 -0.982 17.725 4.816 1.00 51.24 N ATOM 179 CA LEU A 12 -0.876 17.545 6.268 1.00 35.51 C ATOM 180 C LEU A 12 -0.054 18.685 6.915 1.00 3.21 C ATOM 181 O LEU A 12 0.732 19.348 6.237 1.00 71.12 O ATOM 182 CB LEU A 12 -0.271 16.156 6.554 1.00 72.51 C ATOM 183 CG LEU A 12 0.822 15.689 5.570 1.00 24.24 C ATOM 184 CD1 LEU A 12 2.124 16.453 5.777 1.00 62.24 C ATOM 185 CD2 LEU A 12 1.050 14.186 5.690 1.00 53.41 C ATOM 0 H LEU A 12 -0.082 17.841 4.349 1.00 51.24 H new ATOM 0 HA LEU A 12 -1.868 17.593 6.718 1.00 35.51 H new ATOM 0 HB2 LEU A 12 0.150 16.163 7.560 1.00 72.51 H new ATOM 0 HB3 LEU A 12 -1.076 15.421 6.550 1.00 72.51 H new ATOM 0 HG LEU A 12 0.472 15.904 4.560 1.00 24.24 H new ATOM 0 HD11 LEU A 12 2.871 16.098 5.067 1.00 62.24 H new ATOM 0 HD12 LEU A 12 1.950 17.517 5.619 1.00 62.24 H new ATOM 0 HD13 LEU A 12 2.483 16.291 6.793 1.00 62.24 H new ATOM 0 HD21 LEU A 12 1.824 13.878 4.987 1.00 53.41 H new ATOM 0 HD22 LEU A 12 1.365 13.946 6.705 1.00 53.41 H new ATOM 0 HD23 LEU A 12 0.124 13.658 5.463 1.00 53.41 H new ATOM 197 N PRO A 13 -0.222 18.926 8.236 1.00 4.31 N ATOM 198 CA PRO A 13 0.382 20.092 8.923 1.00 24.12 C ATOM 199 C PRO A 13 1.921 20.058 9.011 1.00 72.14 C ATOM 200 O PRO A 13 2.570 21.106 8.991 1.00 72.44 O ATOM 201 CB PRO A 13 -0.237 20.029 10.330 1.00 51.24 C ATOM 202 CG PRO A 13 -0.592 18.595 10.523 1.00 25.13 C ATOM 203 CD PRO A 13 -1.014 18.094 9.166 1.00 45.41 C ATOM 0 HA PRO A 13 0.178 21.011 8.373 1.00 24.12 H new ATOM 0 HB2 PRO A 13 0.469 20.368 11.089 1.00 51.24 H new ATOM 0 HB3 PRO A 13 -1.117 20.668 10.405 1.00 51.24 H new ATOM 0 HG2 PRO A 13 0.258 18.029 10.903 1.00 25.13 H new ATOM 0 HG3 PRO A 13 -1.398 18.485 11.249 1.00 25.13 H new ATOM 0 HD2 PRO A 13 -0.795 17.033 9.043 1.00 45.41 H new ATOM 0 HD3 PRO A 13 -2.085 18.219 9.006 1.00 45.41 H new ATOM 211 N PHE A 14 2.505 18.865 9.118 1.00 21.34 N ATOM 212 CA PHE A 14 3.964 18.735 9.238 1.00 23.13 C ATOM 213 C PHE A 14 4.651 18.784 7.859 1.00 65.34 C ATOM 214 O PHE A 14 4.551 17.856 7.061 1.00 52.55 O ATOM 215 CB PHE A 14 4.349 17.465 10.027 1.00 2.14 C ATOM 216 CG PHE A 14 3.495 16.250 9.743 1.00 60.43 C ATOM 217 CD1 PHE A 14 2.286 16.064 10.405 1.00 20.11 C ATOM 218 CD2 PHE A 14 3.904 15.286 8.834 1.00 53.32 C ATOM 219 CE1 PHE A 14 1.509 14.948 10.162 1.00 40.31 C ATOM 220 CE2 PHE A 14 3.128 14.169 8.588 1.00 10.03 C ATOM 221 CZ PHE A 14 1.930 14.001 9.253 1.00 22.15 C ATOM 0 H PHE A 14 1.999 17.979 9.124 1.00 21.34 H new ATOM 0 HA PHE A 14 4.327 19.592 9.806 1.00 23.13 H new ATOM 0 HB2 PHE A 14 5.388 17.220 9.806 1.00 2.14 H new ATOM 0 HB3 PHE A 14 4.294 17.687 11.093 1.00 2.14 H new ATOM 0 HD1 PHE A 14 1.950 16.802 11.119 1.00 20.11 H new ATOM 0 HD2 PHE A 14 4.841 15.410 8.311 1.00 53.32 H new ATOM 0 HE1 PHE A 14 0.572 14.818 10.684 1.00 40.31 H new ATOM 0 HE2 PHE A 14 3.459 13.428 7.876 1.00 10.03 H new ATOM 0 HZ PHE A 14 1.323 13.128 9.061 1.00 22.15 H new ATOM 231 N GLU A 15 5.364 19.883 7.612 1.00 31.21 N ATOM 232 CA GLU A 15 5.946 20.194 6.290 1.00 64.24 C ATOM 233 C GLU A 15 7.124 19.286 5.891 1.00 14.12 C ATOM 234 O GLU A 15 7.602 19.350 4.756 1.00 32.44 O ATOM 235 CB GLU A 15 6.435 21.645 6.287 1.00 10.41 C ATOM 236 CG GLU A 15 7.440 21.936 7.399 1.00 13.45 C ATOM 237 CD GLU A 15 8.136 23.272 7.240 1.00 0.11 C ATOM 238 OE1 GLU A 15 7.476 24.316 7.413 1.00 20.45 O ATOM 239 OE2 GLU A 15 9.351 23.285 6.956 1.00 0.32 O ATOM 0 H GLU A 15 5.559 20.590 8.321 1.00 31.21 H new ATOM 0 HA GLU A 15 5.153 20.025 5.562 1.00 64.24 H new ATOM 0 HB2 GLU A 15 6.893 21.867 5.323 1.00 10.41 H new ATOM 0 HB3 GLU A 15 5.579 22.312 6.394 1.00 10.41 H new ATOM 0 HG2 GLU A 15 6.926 21.914 8.360 1.00 13.45 H new ATOM 0 HG3 GLU A 15 8.189 21.144 7.420 1.00 13.45 H new ATOM 246 N ARG A 16 7.609 18.460 6.804 1.00 10.21 N ATOM 247 CA ARG A 16 8.808 17.660 6.534 1.00 0.14 C ATOM 248 C ARG A 16 8.664 16.245 7.111 1.00 75.23 C ATOM 249 O ARG A 16 8.389 16.076 8.297 1.00 63.15 O ATOM 250 CB ARG A 16 10.042 18.366 7.133 1.00 53.04 C ATOM 251 CG ARG A 16 11.297 18.291 6.268 1.00 55.42 C ATOM 252 CD ARG A 16 11.112 19.024 4.940 1.00 44.25 C ATOM 253 NE ARG A 16 10.661 20.408 5.119 1.00 53.30 N ATOM 254 CZ ARG A 16 10.412 21.233 4.132 1.00 31.22 C ATOM 255 NH1 ARG A 16 10.678 20.894 2.912 1.00 74.15 N ATOM 256 NH2 ARG A 16 9.927 22.405 4.375 1.00 63.11 N ATOM 0 H ARG A 16 7.202 18.322 7.729 1.00 10.21 H new ATOM 0 HA ARG A 16 8.935 17.568 5.455 1.00 0.14 H new ATOM 0 HB2 ARG A 16 9.797 19.414 7.305 1.00 53.04 H new ATOM 0 HB3 ARG A 16 10.260 17.926 8.106 1.00 53.04 H new ATOM 0 HG2 ARG A 16 12.138 18.724 6.809 1.00 55.42 H new ATOM 0 HG3 ARG A 16 11.545 17.247 6.076 1.00 55.42 H new ATOM 0 HD2 ARG A 16 12.055 19.021 4.393 1.00 44.25 H new ATOM 0 HD3 ARG A 16 10.387 18.485 4.330 1.00 44.25 H new ATOM 0 HE ARG A 16 10.533 20.750 6.072 1.00 53.30 H new ATOM 0 HH11 ARG A 16 11.084 19.980 2.714 1.00 74.15 H new ATOM 0 HH12 ARG A 16 10.482 21.541 2.148 1.00 74.15 H new ATOM 0 HH21 ARG A 16 9.737 22.689 5.336 1.00 63.11 H new ATOM 0 HH22 ARG A 16 9.734 23.046 3.606 1.00 63.11 H new ATOM 270 N VAL A 17 8.852 15.227 6.276 1.00 24.40 N ATOM 271 CA VAL A 17 8.706 13.836 6.722 1.00 74.03 C ATOM 272 C VAL A 17 9.930 12.983 6.363 1.00 62.23 C ATOM 273 O VAL A 17 10.642 13.259 5.395 1.00 63.12 O ATOM 274 CB VAL A 17 7.435 13.172 6.129 1.00 4.10 C ATOM 275 CG1 VAL A 17 6.175 13.874 6.624 1.00 71.14 C ATOM 276 CG2 VAL A 17 7.482 13.163 4.603 1.00 14.14 C ATOM 0 H VAL A 17 9.104 15.333 5.293 1.00 24.40 H new ATOM 0 HA VAL A 17 8.614 13.879 7.807 1.00 74.03 H new ATOM 0 HB VAL A 17 7.407 12.138 6.472 1.00 4.10 H new ATOM 0 HG11 VAL A 17 5.297 13.391 6.195 1.00 71.14 H new ATOM 0 HG12 VAL A 17 6.128 13.813 7.711 1.00 71.14 H new ATOM 0 HG13 VAL A 17 6.198 14.920 6.320 1.00 71.14 H new ATOM 0 HG21 VAL A 17 6.579 12.692 4.214 1.00 14.14 H new ATOM 0 HG22 VAL A 17 7.545 14.187 4.235 1.00 14.14 H new ATOM 0 HG23 VAL A 17 8.356 12.603 4.269 1.00 14.14 H new ATOM 286 N TYR A 18 10.176 11.956 7.169 1.00 63.11 N ATOM 287 CA TYR A 18 11.242 10.988 6.901 1.00 25.42 C ATOM 288 C TYR A 18 10.658 9.580 6.734 1.00 43.12 C ATOM 289 O TYR A 18 9.823 9.144 7.527 1.00 52.23 O ATOM 290 CB TYR A 18 12.279 10.999 8.034 1.00 22.10 C ATOM 291 CG TYR A 18 13.350 9.929 7.898 1.00 43.43 C ATOM 292 CD1 TYR A 18 14.306 9.999 6.891 1.00 24.35 C ATOM 293 CD2 TYR A 18 13.404 8.849 8.775 1.00 51.21 C ATOM 294 CE1 TYR A 18 15.279 9.026 6.763 1.00 21.11 C ATOM 295 CE2 TYR A 18 14.376 7.875 8.652 1.00 13.23 C ATOM 296 CZ TYR A 18 15.310 7.968 7.643 1.00 62.40 C ATOM 297 OH TYR A 18 16.279 6.998 7.514 1.00 54.12 O ATOM 0 H TYR A 18 9.648 11.769 8.022 1.00 63.11 H new ATOM 0 HA TYR A 18 11.738 11.274 5.973 1.00 25.42 H new ATOM 0 HB2 TYR A 18 12.758 11.977 8.065 1.00 22.10 H new ATOM 0 HB3 TYR A 18 11.765 10.866 8.986 1.00 22.10 H new ATOM 0 HD1 TYR A 18 14.288 10.827 6.198 1.00 24.35 H new ATOM 0 HD2 TYR A 18 12.673 8.771 9.566 1.00 51.21 H new ATOM 0 HE1 TYR A 18 16.013 9.096 5.974 1.00 21.11 H new ATOM 0 HE2 TYR A 18 14.404 7.045 9.343 1.00 13.23 H new ATOM 0 HH TYR A 18 16.161 6.323 8.214 1.00 54.12 H new ATOM 307 N ILE A 19 11.095 8.876 5.699 1.00 22.41 N ATOM 308 CA ILE A 19 10.628 7.513 5.443 1.00 65.45 C ATOM 309 C ILE A 19 11.710 6.482 5.804 1.00 33.32 C ATOM 310 O ILE A 19 12.894 6.691 5.540 1.00 10.33 O ATOM 311 CB ILE A 19 10.213 7.331 3.959 1.00 24.33 C ATOM 312 CG1 ILE A 19 9.688 5.904 3.711 1.00 53.20 C ATOM 313 CG2 ILE A 19 11.387 7.650 3.029 1.00 75.33 C ATOM 314 CD1 ILE A 19 9.250 5.652 2.282 1.00 53.22 C ATOM 0 H ILE A 19 11.773 9.223 5.020 1.00 22.41 H new ATOM 0 HA ILE A 19 9.755 7.347 6.075 1.00 65.45 H new ATOM 0 HB ILE A 19 9.406 8.030 3.740 1.00 24.33 H new ATOM 0 HG12 ILE A 19 10.468 5.189 3.973 1.00 53.20 H new ATOM 0 HG13 ILE A 19 8.846 5.716 4.378 1.00 53.20 H new ATOM 0 HG21 ILE A 19 11.077 7.517 1.993 1.00 75.33 H new ATOM 0 HG22 ILE A 19 11.703 8.682 3.183 1.00 75.33 H new ATOM 0 HG23 ILE A 19 12.218 6.979 3.248 1.00 75.33 H new ATOM 0 HD11 ILE A 19 8.893 4.626 2.186 1.00 53.22 H new ATOM 0 HD12 ILE A 19 8.447 6.341 2.021 1.00 53.22 H new ATOM 0 HD13 ILE A 19 10.094 5.807 1.610 1.00 53.22 H new ATOM 326 N THR A 20 11.301 5.375 6.420 1.00 35.43 N ATOM 327 CA THR A 20 12.235 4.296 6.769 1.00 1.33 C ATOM 328 C THR A 20 11.599 2.915 6.565 1.00 71.22 C ATOM 329 O THR A 20 10.457 2.674 6.971 1.00 44.33 O ATOM 330 CB THR A 20 12.746 4.422 8.228 1.00 3.12 C ATOM 331 OG1 THR A 20 13.589 3.308 8.567 1.00 25.34 O ATOM 332 CG2 THR A 20 11.591 4.514 9.222 1.00 4.45 C ATOM 0 H THR A 20 10.333 5.198 6.689 1.00 35.43 H new ATOM 0 HA THR A 20 13.086 4.396 6.096 1.00 1.33 H new ATOM 0 HB THR A 20 13.325 5.344 8.290 1.00 3.12 H new ATOM 0 HG1 THR A 20 13.904 3.405 9.490 1.00 25.34 H new ATOM 0 HG21 THR A 20 11.988 4.601 10.234 1.00 4.45 H new ATOM 0 HG22 THR A 20 10.983 5.390 8.994 1.00 4.45 H new ATOM 0 HG23 THR A 20 10.976 3.617 9.149 1.00 4.45 H new ATOM 340 N ALA A 21 12.341 2.020 5.917 1.00 14.01 N ATOM 341 CA ALA A 21 11.858 0.668 5.626 1.00 22.31 C ATOM 342 C ALA A 21 12.961 -0.378 5.862 1.00 2.00 C ATOM 343 O ALA A 21 14.093 -0.207 5.406 1.00 41.20 O ATOM 344 CB ALA A 21 11.347 0.588 4.189 1.00 40.03 C ATOM 0 H ALA A 21 13.286 2.207 5.581 1.00 14.01 H new ATOM 0 HA ALA A 21 11.035 0.448 6.306 1.00 22.31 H new ATOM 0 HB1 ALA A 21 10.991 -0.422 3.985 1.00 40.03 H new ATOM 0 HB2 ALA A 21 10.529 1.295 4.054 1.00 40.03 H new ATOM 0 HB3 ALA A 21 12.156 0.833 3.501 1.00 40.03 H new ATOM 350 N PRO A 22 12.640 -1.487 6.556 1.00 1.12 N ATOM 351 CA PRO A 22 13.631 -2.535 6.894 1.00 11.11 C ATOM 352 C PRO A 22 14.232 -3.231 5.657 1.00 73.31 C ATOM 353 O PRO A 22 15.229 -3.950 5.758 1.00 12.14 O ATOM 354 CB PRO A 22 12.815 -3.534 7.735 1.00 21.44 C ATOM 355 CG PRO A 22 11.397 -3.297 7.334 1.00 11.32 C ATOM 356 CD PRO A 22 11.298 -1.819 7.070 1.00 62.41 C ATOM 0 HA PRO A 22 14.494 -2.116 7.411 1.00 11.11 H new ATOM 0 HB2 PRO A 22 13.117 -4.562 7.533 1.00 21.44 H new ATOM 0 HB3 PRO A 22 12.959 -3.364 8.802 1.00 21.44 H new ATOM 0 HG2 PRO A 22 11.139 -3.873 6.445 1.00 11.32 H new ATOM 0 HG3 PRO A 22 10.709 -3.602 8.123 1.00 11.32 H new ATOM 0 HD2 PRO A 22 10.519 -1.589 6.343 1.00 62.41 H new ATOM 0 HD3 PRO A 22 11.063 -1.261 7.977 1.00 62.41 H new ATOM 364 N ALA A 23 13.622 -3.012 4.493 1.00 3.42 N ATOM 365 CA ALA A 23 14.079 -3.628 3.245 1.00 34.24 C ATOM 366 C ALA A 23 13.662 -2.798 2.023 1.00 75.24 C ATOM 367 O ALA A 23 12.982 -1.776 2.153 1.00 31.13 O ATOM 368 CB ALA A 23 13.527 -5.045 3.134 1.00 62.05 C ATOM 0 H ALA A 23 12.806 -2.410 4.387 1.00 3.42 H new ATOM 0 HA ALA A 23 15.168 -3.665 3.265 1.00 34.24 H new ATOM 0 HB1 ALA A 23 13.871 -5.497 2.204 1.00 62.05 H new ATOM 0 HB2 ALA A 23 13.878 -5.639 3.978 1.00 62.05 H new ATOM 0 HB3 ALA A 23 12.438 -5.013 3.141 1.00 62.05 H new ATOM 374 N GLY A 24 14.074 -3.241 0.836 1.00 0.32 N ATOM 375 CA GLY A 24 13.672 -2.573 -0.398 1.00 12.32 C ATOM 376 C GLY A 24 12.204 -2.814 -0.736 1.00 34.22 C ATOM 377 O GLY A 24 11.876 -3.583 -1.642 1.00 71.41 O ATOM 0 H GLY A 24 14.680 -4.051 0.704 1.00 0.32 H new ATOM 0 HA2 GLY A 24 13.849 -1.502 -0.303 1.00 12.32 H new ATOM 0 HA3 GLY A 24 14.294 -2.927 -1.220 1.00 12.32 H new ATOM 381 N LEU A 25 11.322 -2.147 0.000 1.00 55.11 N ATOM 382 CA LEU A 25 9.878 -2.342 -0.137 1.00 72.13 C ATOM 383 C LEU A 25 9.263 -1.357 -1.140 1.00 72.23 C ATOM 384 O LEU A 25 9.379 -0.138 -0.983 1.00 75.11 O ATOM 385 CB LEU A 25 9.212 -2.185 1.236 1.00 44.45 C ATOM 386 CG LEU A 25 9.764 -3.114 2.332 1.00 72.52 C ATOM 387 CD1 LEU A 25 9.139 -2.793 3.685 1.00 21.15 C ATOM 388 CD2 LEU A 25 9.538 -4.577 1.959 1.00 4.55 C ATOM 0 H LEU A 25 11.583 -1.459 0.706 1.00 55.11 H new ATOM 0 HA LEU A 25 9.704 -3.347 -0.521 1.00 72.13 H new ATOM 0 HB2 LEU A 25 9.327 -1.152 1.564 1.00 44.45 H new ATOM 0 HB3 LEU A 25 8.143 -2.368 1.129 1.00 44.45 H new ATOM 0 HG LEU A 25 10.838 -2.945 2.413 1.00 72.52 H new ATOM 0 HD11 LEU A 25 9.546 -3.463 4.442 1.00 21.15 H new ATOM 0 HD12 LEU A 25 9.365 -1.761 3.955 1.00 21.15 H new ATOM 0 HD13 LEU A 25 8.058 -2.924 3.627 1.00 21.15 H new ATOM 0 HD21 LEU A 25 9.935 -5.219 2.746 1.00 4.55 H new ATOM 0 HD22 LEU A 25 8.470 -4.762 1.844 1.00 4.55 H new ATOM 0 HD23 LEU A 25 10.048 -4.796 1.021 1.00 4.55 H new ATOM 400 N THR A 26 8.597 -1.898 -2.159 1.00 70.05 N ATOM 401 CA THR A 26 7.923 -1.086 -3.186 1.00 52.21 C ATOM 402 C THR A 26 6.973 -0.059 -2.562 1.00 54.13 C ATOM 403 O THR A 26 6.951 1.104 -2.964 1.00 14.42 O ATOM 404 CB THR A 26 7.115 -1.973 -4.162 1.00 74.22 C ATOM 405 OG1 THR A 26 6.171 -2.768 -3.429 1.00 70.12 O ATOM 406 CG2 THR A 26 8.034 -2.889 -4.965 1.00 54.35 C ATOM 0 H THR A 26 8.506 -2.904 -2.301 1.00 70.05 H new ATOM 0 HA THR A 26 8.710 -0.564 -3.730 1.00 52.21 H new ATOM 0 HB THR A 26 6.588 -1.318 -4.856 1.00 74.22 H new ATOM 0 HG1 THR A 26 5.661 -3.327 -4.052 1.00 70.12 H new ATOM 0 HG21 THR A 26 7.437 -3.500 -5.642 1.00 54.35 H new ATOM 0 HG22 THR A 26 8.735 -2.286 -5.543 1.00 54.35 H new ATOM 0 HG23 THR A 26 8.588 -3.536 -4.285 1.00 54.35 H new ATOM 414 N ILE A 27 6.202 -0.504 -1.570 1.00 55.02 N ATOM 415 CA ILE A 27 5.291 0.370 -0.822 1.00 1.32 C ATOM 416 C ILE A 27 5.999 1.656 -0.345 1.00 15.50 C ATOM 417 O ILE A 27 5.395 2.728 -0.280 1.00 41.04 O ATOM 418 CB ILE A 27 4.691 -0.381 0.397 1.00 72.14 C ATOM 419 CG1 ILE A 27 3.638 0.481 1.116 1.00 44.51 C ATOM 420 CG2 ILE A 27 5.791 -0.817 1.368 1.00 20.13 C ATOM 421 CD1 ILE A 27 2.378 0.708 0.304 1.00 60.15 C ATOM 0 H ILE A 27 6.189 -1.476 -1.261 1.00 55.02 H new ATOM 0 HA ILE A 27 4.487 0.656 -1.500 1.00 1.32 H new ATOM 0 HB ILE A 27 4.194 -1.277 0.024 1.00 72.14 H new ATOM 0 HG12 ILE A 27 3.371 0.002 2.058 1.00 44.51 H new ATOM 0 HG13 ILE A 27 4.079 1.447 1.363 1.00 44.51 H new ATOM 0 HG21 ILE A 27 5.344 -1.341 2.213 1.00 20.13 H new ATOM 0 HG22 ILE A 27 6.486 -1.482 0.855 1.00 20.13 H new ATOM 0 HG23 ILE A 27 6.327 0.061 1.728 1.00 20.13 H new ATOM 0 HD11 ILE A 27 1.683 1.323 0.875 1.00 60.15 H new ATOM 0 HD12 ILE A 27 2.631 1.215 -0.627 1.00 60.15 H new ATOM 0 HD13 ILE A 27 1.912 -0.252 0.079 1.00 60.15 H new ATOM 433 N GLY A 28 7.290 1.542 -0.030 1.00 75.43 N ATOM 434 CA GLY A 28 8.072 2.701 0.379 1.00 1.41 C ATOM 435 C GLY A 28 8.542 3.539 -0.808 1.00 12.42 C ATOM 436 O GLY A 28 8.482 4.770 -0.772 1.00 52.32 O ATOM 0 H GLY A 28 7.810 0.665 -0.051 1.00 75.43 H new ATOM 0 HA2 GLY A 28 7.473 3.323 1.044 1.00 1.41 H new ATOM 0 HA3 GLY A 28 8.939 2.367 0.950 1.00 1.41 H new ATOM 440 N SER A 29 8.994 2.865 -1.869 1.00 40.32 N ATOM 441 CA SER A 29 9.473 3.544 -3.086 1.00 35.33 C ATOM 442 C SER A 29 8.403 4.480 -3.660 1.00 51.20 C ATOM 443 O SER A 29 8.698 5.606 -4.065 1.00 52.00 O ATOM 444 CB SER A 29 9.885 2.513 -4.145 1.00 45.31 C ATOM 445 OG SER A 29 10.874 1.622 -3.649 1.00 64.14 O ATOM 0 H SER A 29 9.040 1.847 -1.914 1.00 40.32 H new ATOM 0 HA SER A 29 10.340 4.144 -2.812 1.00 35.33 H new ATOM 0 HB2 SER A 29 9.010 1.946 -4.462 1.00 45.31 H new ATOM 0 HB3 SER A 29 10.267 3.028 -5.026 1.00 45.31 H new ATOM 0 HG SER A 29 11.113 0.977 -4.347 1.00 64.14 H new ATOM 451 N ASP A 30 7.160 4.004 -3.699 1.00 31.22 N ATOM 452 CA ASP A 30 6.030 4.834 -4.119 1.00 63.42 C ATOM 453 C ASP A 30 5.731 5.930 -3.080 1.00 33.30 C ATOM 454 O ASP A 30 5.516 7.089 -3.436 1.00 22.21 O ATOM 455 CB ASP A 30 4.791 3.964 -4.349 1.00 4.22 C ATOM 456 CG ASP A 30 4.937 3.062 -5.564 1.00 2.22 C ATOM 457 OD1 ASP A 30 5.604 2.010 -5.461 1.00 32.33 O ATOM 458 OD2 ASP A 30 4.388 3.405 -6.633 1.00 61.04 O ATOM 0 H ASP A 30 6.909 3.049 -3.445 1.00 31.22 H new ATOM 0 HA ASP A 30 6.297 5.323 -5.056 1.00 63.42 H new ATOM 0 HB2 ASP A 30 4.610 3.353 -3.465 1.00 4.22 H new ATOM 0 HB3 ASP A 30 3.919 4.605 -4.478 1.00 4.22 H new ATOM 463 N LEU A 31 5.751 5.555 -1.797 1.00 72.24 N ATOM 464 CA LEU A 31 5.437 6.480 -0.694 1.00 52.43 C ATOM 465 C LEU A 31 6.253 7.783 -0.767 1.00 64.51 C ATOM 466 O LEU A 31 5.699 8.876 -0.621 1.00 75.33 O ATOM 467 CB LEU A 31 5.670 5.786 0.656 1.00 43.41 C ATOM 468 CG LEU A 31 5.253 6.592 1.897 1.00 32.42 C ATOM 469 CD1 LEU A 31 3.764 6.930 1.852 1.00 11.41 C ATOM 470 CD2 LEU A 31 5.594 5.826 3.171 1.00 74.31 C ATOM 0 H LEU A 31 5.983 4.610 -1.491 1.00 72.24 H new ATOM 0 HA LEU A 31 4.386 6.754 -0.791 1.00 52.43 H new ATOM 0 HB2 LEU A 31 5.125 4.842 0.658 1.00 43.41 H new ATOM 0 HB3 LEU A 31 6.729 5.543 0.741 1.00 43.41 H new ATOM 0 HG LEU A 31 5.811 7.528 1.899 1.00 32.42 H new ATOM 0 HD11 LEU A 31 3.493 7.500 2.741 1.00 11.41 H new ATOM 0 HD12 LEU A 31 3.552 7.523 0.962 1.00 11.41 H new ATOM 0 HD13 LEU A 31 3.183 6.009 1.821 1.00 11.41 H new ATOM 0 HD21 LEU A 31 5.292 6.411 4.039 1.00 74.31 H new ATOM 0 HD22 LEU A 31 5.066 4.872 3.175 1.00 74.31 H new ATOM 0 HD23 LEU A 31 6.668 5.646 3.211 1.00 74.31 H new ATOM 482 N GLU A 32 7.561 7.661 -1.000 1.00 54.12 N ATOM 483 CA GLU A 32 8.448 8.830 -1.127 1.00 21.21 C ATOM 484 C GLU A 32 7.880 9.867 -2.114 1.00 23.12 C ATOM 485 O GLU A 32 7.935 11.078 -1.879 1.00 21.05 O ATOM 486 CB GLU A 32 9.835 8.391 -1.616 1.00 51.12 C ATOM 487 CG GLU A 32 10.546 7.388 -0.711 1.00 34.50 C ATOM 488 CD GLU A 32 11.866 6.906 -1.302 1.00 52.12 C ATOM 489 OE1 GLU A 32 12.903 7.566 -1.079 1.00 24.31 O ATOM 490 OE2 GLU A 32 11.869 5.875 -2.012 1.00 0.33 O ATOM 0 H GLU A 32 8.035 6.764 -1.106 1.00 54.12 H new ATOM 0 HA GLU A 32 8.524 9.289 -0.141 1.00 21.21 H new ATOM 0 HB2 GLU A 32 9.733 7.954 -2.609 1.00 51.12 H new ATOM 0 HB3 GLU A 32 10.464 9.275 -1.720 1.00 51.12 H new ATOM 0 HG2 GLU A 32 10.732 7.847 0.260 1.00 34.50 H new ATOM 0 HG3 GLU A 32 9.894 6.532 -0.539 1.00 34.50 H new ATOM 497 N ARG A 33 7.323 9.368 -3.212 1.00 3.23 N ATOM 498 CA ARG A 33 6.835 10.215 -4.305 1.00 24.52 C ATOM 499 C ARG A 33 5.395 10.685 -4.048 1.00 22.22 C ATOM 500 O ARG A 33 5.070 11.854 -4.245 1.00 62.24 O ATOM 501 CB ARG A 33 6.911 9.426 -5.617 1.00 61.24 C ATOM 502 CG ARG A 33 8.249 8.716 -5.796 1.00 71.43 C ATOM 503 CD ARG A 33 8.238 7.745 -6.967 1.00 32.14 C ATOM 504 NE ARG A 33 9.417 6.882 -6.946 1.00 65.03 N ATOM 505 CZ ARG A 33 9.494 5.721 -7.533 1.00 11.04 C ATOM 506 NH1 ARG A 33 8.508 5.278 -8.244 1.00 51.02 N ATOM 507 NH2 ARG A 33 10.563 5.007 -7.404 1.00 25.53 N ATOM 0 H ARG A 33 7.195 8.369 -3.374 1.00 3.23 H new ATOM 0 HA ARG A 33 7.462 11.104 -4.369 1.00 24.52 H new ATOM 0 HB2 ARG A 33 6.107 8.690 -5.642 1.00 61.24 H new ATOM 0 HB3 ARG A 33 6.748 10.104 -6.455 1.00 61.24 H new ATOM 0 HG2 ARG A 33 9.033 9.457 -5.950 1.00 71.43 H new ATOM 0 HG3 ARG A 33 8.496 8.176 -4.882 1.00 71.43 H new ATOM 0 HD2 ARG A 33 7.336 7.134 -6.929 1.00 32.14 H new ATOM 0 HD3 ARG A 33 8.207 8.301 -7.904 1.00 32.14 H new ATOM 0 HE ARG A 33 10.237 7.211 -6.436 1.00 65.03 H new ATOM 0 HH11 ARG A 33 7.662 5.839 -8.348 1.00 51.02 H new ATOM 0 HH12 ARG A 33 8.576 4.368 -8.700 1.00 51.02 H new ATOM 0 HH21 ARG A 33 11.343 5.353 -6.844 1.00 25.53 H new ATOM 0 HH22 ARG A 33 10.627 4.098 -7.862 1.00 25.53 H new ATOM 521 N VAL A 34 4.545 9.766 -3.592 1.00 71.14 N ATOM 522 CA VAL A 34 3.138 10.068 -3.305 1.00 32.30 C ATOM 523 C VAL A 34 2.995 11.238 -2.316 1.00 35.22 C ATOM 524 O VAL A 34 2.176 12.139 -2.518 1.00 12.54 O ATOM 525 CB VAL A 34 2.407 8.819 -2.751 1.00 33.05 C ATOM 526 CG1 VAL A 34 0.964 9.141 -2.371 1.00 51.23 C ATOM 527 CG2 VAL A 34 2.453 7.679 -3.768 1.00 43.23 C ATOM 0 H VAL A 34 4.807 8.797 -3.411 1.00 71.14 H new ATOM 0 HA VAL A 34 2.676 10.362 -4.247 1.00 32.30 H new ATOM 0 HB VAL A 34 2.925 8.502 -1.846 1.00 33.05 H new ATOM 0 HG11 VAL A 34 0.480 8.243 -1.986 1.00 51.23 H new ATOM 0 HG12 VAL A 34 0.954 9.916 -1.604 1.00 51.23 H new ATOM 0 HG13 VAL A 34 0.426 9.494 -3.251 1.00 51.23 H new ATOM 0 HG21 VAL A 34 1.935 6.809 -3.363 1.00 43.23 H new ATOM 0 HG22 VAL A 34 1.966 7.995 -4.691 1.00 43.23 H new ATOM 0 HG23 VAL A 34 3.491 7.419 -3.976 1.00 43.23 H new ATOM 537 N ILE A 35 3.799 11.224 -1.256 1.00 31.44 N ATOM 538 CA ILE A 35 3.802 12.314 -0.275 1.00 13.12 C ATOM 539 C ILE A 35 4.370 13.612 -0.877 1.00 65.33 C ATOM 540 O ILE A 35 3.702 14.645 -0.894 1.00 14.12 O ATOM 541 CB ILE A 35 4.626 11.933 0.984 1.00 23.13 C ATOM 542 CG1 ILE A 35 3.990 10.728 1.699 1.00 14.14 C ATOM 543 CG2 ILE A 35 4.751 13.126 1.937 1.00 13.35 C ATOM 544 CD1 ILE A 35 4.736 10.292 2.948 1.00 13.04 C ATOM 0 H ILE A 35 4.457 10.472 -1.051 1.00 31.44 H new ATOM 0 HA ILE A 35 2.764 12.482 0.013 1.00 13.12 H new ATOM 0 HB ILE A 35 5.629 11.653 0.663 1.00 23.13 H new ATOM 0 HG12 ILE A 35 2.964 10.978 1.969 1.00 14.14 H new ATOM 0 HG13 ILE A 35 3.942 9.889 1.005 1.00 14.14 H new ATOM 0 HG21 ILE A 35 5.333 12.834 2.811 1.00 13.35 H new ATOM 0 HG22 ILE A 35 5.252 13.949 1.426 1.00 13.35 H new ATOM 0 HG23 ILE A 35 3.758 13.446 2.252 1.00 13.35 H new ATOM 0 HD11 ILE A 35 4.228 9.438 3.396 1.00 13.04 H new ATOM 0 HD12 ILE A 35 5.755 10.010 2.683 1.00 13.04 H new ATOM 0 HD13 ILE A 35 4.762 11.115 3.662 1.00 13.04 H new ATOM 556 N SER A 36 5.599 13.537 -1.391 1.00 72.24 N ATOM 557 CA SER A 36 6.319 14.723 -1.890 1.00 61.23 C ATOM 558 C SER A 36 5.558 15.457 -3.010 1.00 3.53 C ATOM 559 O SER A 36 5.789 16.645 -3.253 1.00 55.33 O ATOM 560 CB SER A 36 7.714 14.322 -2.391 1.00 53.12 C ATOM 561 OG SER A 36 8.463 15.453 -2.810 1.00 54.21 O ATOM 0 H SER A 36 6.123 12.666 -1.475 1.00 72.24 H new ATOM 0 HA SER A 36 6.406 15.414 -1.051 1.00 61.23 H new ATOM 0 HB2 SER A 36 8.251 13.803 -1.597 1.00 53.12 H new ATOM 0 HB3 SER A 36 7.616 13.622 -3.221 1.00 53.12 H new ATOM 0 HG SER A 36 8.688 15.363 -3.759 1.00 54.21 H new ATOM 567 N THR A 37 4.668 14.750 -3.701 1.00 12.34 N ATOM 568 CA THR A 37 3.870 15.349 -4.783 1.00 3.23 C ATOM 569 C THR A 37 2.484 15.807 -4.301 1.00 71.50 C ATOM 570 O THR A 37 2.102 16.963 -4.489 1.00 24.13 O ATOM 571 CB THR A 37 3.671 14.361 -5.957 1.00 74.32 C ATOM 572 OG1 THR A 37 2.984 13.184 -5.499 1.00 45.35 O ATOM 573 CG2 THR A 37 5.008 13.967 -6.578 1.00 60.20 C ATOM 0 H THR A 37 4.477 13.762 -3.536 1.00 12.34 H new ATOM 0 HA THR A 37 4.437 16.217 -5.120 1.00 3.23 H new ATOM 0 HB THR A 37 3.072 14.859 -6.719 1.00 74.32 H new ATOM 0 HG1 THR A 37 3.610 12.609 -5.011 1.00 45.35 H new ATOM 0 HG21 THR A 37 4.837 13.272 -7.400 1.00 60.20 H new ATOM 0 HG22 THR A 37 5.511 14.858 -6.954 1.00 60.20 H new ATOM 0 HG23 THR A 37 5.633 13.489 -5.823 1.00 60.20 H new ATOM 581 N HIS A 38 1.732 14.898 -3.680 1.00 52.11 N ATOM 582 CA HIS A 38 0.342 15.181 -3.287 1.00 2.33 C ATOM 583 C HIS A 38 0.237 15.964 -1.966 1.00 15.03 C ATOM 584 O HIS A 38 -0.858 16.334 -1.548 1.00 43.31 O ATOM 585 CB HIS A 38 -0.459 13.878 -3.195 1.00 64.23 C ATOM 586 CG HIS A 38 -0.528 13.130 -4.493 1.00 72.33 C ATOM 587 ND1 HIS A 38 -1.254 13.570 -5.578 1.00 20.31 N ATOM 588 CD2 HIS A 38 0.045 11.966 -4.880 1.00 33.04 C ATOM 589 CE1 HIS A 38 -1.127 12.713 -6.570 1.00 32.12 C ATOM 590 NE2 HIS A 38 -0.345 11.729 -6.176 1.00 43.54 N ATOM 0 H HIS A 38 2.056 13.962 -3.437 1.00 52.11 H new ATOM 0 HA HIS A 38 -0.080 15.818 -4.064 1.00 2.33 H new ATOM 0 HB2 HIS A 38 -0.009 13.236 -2.437 1.00 64.23 H new ATOM 0 HB3 HIS A 38 -1.471 14.105 -2.860 1.00 64.23 H new ATOM 0 HD2 HIS A 38 0.689 11.340 -4.281 1.00 33.04 H new ATOM 0 HE1 HIS A 38 -1.587 12.802 -7.543 1.00 32.12 H new ATOM 0 HE2 HIS A 38 -0.074 10.924 -6.740 1.00 43.54 H new ATOM 599 N THR A 39 1.364 16.200 -1.303 1.00 55.03 N ATOM 600 CA THR A 39 1.387 17.064 -0.109 1.00 20.51 C ATOM 601 C THR A 39 2.515 18.090 -0.221 1.00 13.04 C ATOM 602 O THR A 39 3.476 17.887 -0.964 1.00 21.50 O ATOM 603 CB THR A 39 1.590 16.274 1.213 1.00 74.45 C ATOM 604 OG1 THR A 39 2.984 15.998 1.428 1.00 74.05 O ATOM 605 CG2 THR A 39 0.814 14.963 1.207 1.00 22.42 C ATOM 0 H THR A 39 2.271 15.813 -1.563 1.00 55.03 H new ATOM 0 HA THR A 39 0.411 17.549 -0.072 1.00 20.51 H new ATOM 0 HB THR A 39 1.211 16.898 2.022 1.00 74.45 H new ATOM 0 HG1 THR A 39 3.344 15.513 0.656 1.00 74.05 H new ATOM 0 HG21 THR A 39 0.980 14.438 2.147 1.00 22.42 H new ATOM 0 HG22 THR A 39 -0.250 15.170 1.090 1.00 22.42 H new ATOM 0 HG23 THR A 39 1.156 14.342 0.379 1.00 22.42 H new ATOM 613 N ARG A 40 2.411 19.189 0.519 1.00 24.10 N ATOM 614 CA ARG A 40 3.484 20.190 0.539 1.00 13.30 C ATOM 615 C ARG A 40 4.686 19.703 1.375 1.00 32.13 C ATOM 616 O ARG A 40 5.758 20.318 1.364 1.00 72.44 O ATOM 617 CB ARG A 40 2.968 21.532 1.082 1.00 23.02 C ATOM 618 CG ARG A 40 3.901 22.703 0.787 1.00 62.43 C ATOM 619 CD ARG A 40 4.103 22.896 -0.716 1.00 13.44 C ATOM 620 NE ARG A 40 5.133 23.884 -1.017 1.00 60.34 N ATOM 621 CZ ARG A 40 5.503 24.212 -2.223 1.00 60.14 C ATOM 622 NH1 ARG A 40 4.925 23.690 -3.256 1.00 62.22 N ATOM 623 NH2 ARG A 40 6.457 25.066 -2.393 1.00 2.44 N ATOM 0 H ARG A 40 1.608 19.412 1.107 1.00 24.10 H new ATOM 0 HA ARG A 40 3.819 20.335 -0.488 1.00 13.30 H new ATOM 0 HB2 ARG A 40 1.989 21.739 0.649 1.00 23.02 H new ATOM 0 HB3 ARG A 40 2.829 21.450 2.160 1.00 23.02 H new ATOM 0 HG2 ARG A 40 3.489 23.615 1.220 1.00 62.43 H new ATOM 0 HG3 ARG A 40 4.865 22.530 1.265 1.00 62.43 H new ATOM 0 HD2 ARG A 40 4.375 21.942 -1.169 1.00 13.44 H new ATOM 0 HD3 ARG A 40 3.162 23.207 -1.169 1.00 13.44 H new ATOM 0 HE ARG A 40 5.593 24.348 -0.234 1.00 60.34 H new ATOM 0 HH11 ARG A 40 4.171 23.014 -3.131 1.00 62.22 H new ATOM 0 HH12 ARG A 40 5.223 23.954 -4.195 1.00 62.22 H new ATOM 0 HH21 ARG A 40 6.919 25.482 -1.584 1.00 2.44 H new ATOM 0 HH22 ARG A 40 6.748 25.324 -3.336 1.00 2.44 H new ATOM 637 N ALA A 41 4.506 18.586 2.081 1.00 33.42 N ATOM 638 CA ALA A 41 5.574 17.998 2.894 1.00 41.35 C ATOM 639 C ALA A 41 6.647 17.346 2.016 1.00 1.41 C ATOM 640 O ALA A 41 6.339 16.563 1.117 1.00 54.51 O ATOM 641 CB ALA A 41 4.999 16.975 3.865 1.00 15.32 C ATOM 0 H ALA A 41 3.628 18.068 2.107 1.00 33.42 H new ATOM 0 HA ALA A 41 6.043 18.802 3.461 1.00 41.35 H new ATOM 0 HB1 ALA A 41 5.804 16.547 4.462 1.00 15.32 H new ATOM 0 HB2 ALA A 41 4.279 17.462 4.523 1.00 15.32 H new ATOM 0 HB3 ALA A 41 4.501 16.183 3.306 1.00 15.32 H new ATOM 647 N LYS A 42 7.908 17.670 2.281 1.00 34.14 N ATOM 648 CA LYS A 42 9.019 17.123 1.498 1.00 31.41 C ATOM 649 C LYS A 42 9.739 16.006 2.274 1.00 61.11 C ATOM 650 O LYS A 42 9.983 16.129 3.478 1.00 24.02 O ATOM 651 CB LYS A 42 10.009 18.241 1.132 1.00 12.10 C ATOM 652 CG LYS A 42 10.716 18.026 -0.206 1.00 1.25 C ATOM 653 CD LYS A 42 9.735 18.139 -1.374 1.00 32.02 C ATOM 654 CE LYS A 42 10.415 17.946 -2.725 1.00 61.14 C ATOM 655 NZ LYS A 42 10.962 16.574 -2.885 1.00 63.44 N ATOM 0 H LYS A 42 8.189 18.305 3.028 1.00 34.14 H new ATOM 0 HA LYS A 42 8.614 16.694 0.581 1.00 31.41 H new ATOM 0 HB2 LYS A 42 9.475 19.191 1.101 1.00 12.10 H new ATOM 0 HB3 LYS A 42 10.758 18.322 1.919 1.00 12.10 H new ATOM 0 HG2 LYS A 42 11.511 18.763 -0.323 1.00 1.25 H new ATOM 0 HG3 LYS A 42 11.188 17.043 -0.217 1.00 1.25 H new ATOM 0 HD2 LYS A 42 8.948 17.394 -1.257 1.00 32.02 H new ATOM 0 HD3 LYS A 42 9.255 19.117 -1.348 1.00 32.02 H new ATOM 0 HE2 LYS A 42 9.699 18.146 -3.522 1.00 61.14 H new ATOM 0 HE3 LYS A 42 11.221 18.672 -2.831 1.00 61.14 H new ATOM 0 HZ1 LYS A 42 11.370 16.472 -3.836 1.00 63.44 H new ATOM 0 HZ2 LYS A 42 11.701 16.409 -2.172 1.00 63.44 H new ATOM 0 HZ3 LYS A 42 10.199 15.879 -2.759 1.00 63.44 H new ATOM 669 N VAL A 43 10.074 14.924 1.576 1.00 24.32 N ATOM 670 CA VAL A 43 10.752 13.776 2.191 1.00 43.14 C ATOM 671 C VAL A 43 12.276 13.977 2.222 1.00 4.03 C ATOM 672 O VAL A 43 12.923 14.064 1.175 1.00 12.33 O ATOM 673 CB VAL A 43 10.432 12.462 1.430 1.00 54.21 C ATOM 674 CG1 VAL A 43 11.059 11.256 2.130 1.00 50.34 C ATOM 675 CG2 VAL A 43 8.922 12.278 1.277 1.00 72.12 C ATOM 0 H VAL A 43 9.888 14.814 0.579 1.00 24.32 H new ATOM 0 HA VAL A 43 10.380 13.700 3.213 1.00 43.14 H new ATOM 0 HB VAL A 43 10.868 12.535 0.434 1.00 54.21 H new ATOM 0 HG11 VAL A 43 10.819 10.348 1.576 1.00 50.34 H new ATOM 0 HG12 VAL A 43 12.141 11.381 2.171 1.00 50.34 H new ATOM 0 HG13 VAL A 43 10.664 11.178 3.143 1.00 50.34 H new ATOM 0 HG21 VAL A 43 8.721 11.351 0.741 1.00 72.12 H new ATOM 0 HG22 VAL A 43 8.459 12.235 2.263 1.00 72.12 H new ATOM 0 HG23 VAL A 43 8.508 13.117 0.718 1.00 72.12 H new ATOM 685 N VAL A 44 12.842 14.061 3.424 1.00 64.44 N ATOM 686 CA VAL A 44 14.296 14.210 3.592 1.00 54.52 C ATOM 687 C VAL A 44 14.980 12.848 3.785 1.00 65.14 C ATOM 688 O VAL A 44 14.323 11.843 4.058 1.00 25.33 O ATOM 689 CB VAL A 44 14.641 15.127 4.796 1.00 10.21 C ATOM 690 CG1 VAL A 44 14.181 16.560 4.538 1.00 24.41 C ATOM 691 CG2 VAL A 44 14.030 14.581 6.084 1.00 63.22 C ATOM 0 H VAL A 44 12.320 14.029 4.300 1.00 64.44 H new ATOM 0 HA VAL A 44 14.669 14.671 2.677 1.00 54.52 H new ATOM 0 HB VAL A 44 15.724 15.139 4.914 1.00 10.21 H new ATOM 0 HG11 VAL A 44 14.434 17.183 5.396 1.00 24.41 H new ATOM 0 HG12 VAL A 44 14.678 16.947 3.649 1.00 24.41 H new ATOM 0 HG13 VAL A 44 13.102 16.574 4.385 1.00 24.41 H new ATOM 0 HG21 VAL A 44 14.284 15.239 6.915 1.00 63.22 H new ATOM 0 HG22 VAL A 44 12.946 14.531 5.980 1.00 63.22 H new ATOM 0 HG23 VAL A 44 14.423 13.583 6.278 1.00 63.22 H new ATOM 701 N ASN A 45 16.307 12.819 3.650 1.00 62.11 N ATOM 702 CA ASN A 45 17.061 11.562 3.767 1.00 72.41 C ATOM 703 C ASN A 45 17.484 11.278 5.223 1.00 22.51 C ATOM 704 O ASN A 45 18.022 10.214 5.524 1.00 63.54 O ATOM 705 CB ASN A 45 18.292 11.594 2.847 1.00 30.12 C ATOM 706 CG ASN A 45 18.930 10.223 2.675 1.00 33.52 C ATOM 707 OD1 ASN A 45 18.559 9.461 1.789 1.00 75.11 O ATOM 708 ND2 ASN A 45 19.883 9.890 3.521 1.00 53.20 N ATOM 0 H ASN A 45 16.881 13.641 3.461 1.00 62.11 H new ATOM 0 HA ASN A 45 16.402 10.752 3.456 1.00 72.41 H new ATOM 0 HB2 ASN A 45 18.001 11.980 1.870 1.00 30.12 H new ATOM 0 HB3 ASN A 45 19.029 12.285 3.256 1.00 30.12 H new ATOM 0 HD21 ASN A 45 20.333 8.977 3.449 1.00 53.20 H new ATOM 0 HD22 ASN A 45 20.171 10.545 4.248 1.00 53.20 H new ATOM 715 N LYS A 46 17.239 12.230 6.127 1.00 12.11 N ATOM 716 CA LYS A 46 17.569 12.041 7.547 1.00 24.54 C ATOM 717 C LYS A 46 16.528 12.696 8.475 1.00 34.32 C ATOM 718 O LYS A 46 16.156 13.860 8.304 1.00 23.01 O ATOM 719 CB LYS A 46 18.984 12.557 7.869 1.00 14.13 C ATOM 720 CG LYS A 46 19.205 14.055 7.658 1.00 71.14 C ATOM 721 CD LYS A 46 19.275 14.440 6.183 1.00 51.32 C ATOM 722 CE LYS A 46 19.825 15.850 6.001 1.00 70.35 C ATOM 723 NZ LYS A 46 21.229 15.971 6.489 1.00 32.43 N ATOM 0 H LYS A 46 16.817 13.132 5.907 1.00 12.11 H new ATOM 0 HA LYS A 46 17.547 10.967 7.734 1.00 24.54 H new ATOM 0 HB2 LYS A 46 19.211 12.317 8.908 1.00 14.13 H new ATOM 0 HB3 LYS A 46 19.699 12.012 7.253 1.00 14.13 H new ATOM 0 HG2 LYS A 46 18.396 14.608 8.135 1.00 71.14 H new ATOM 0 HG3 LYS A 46 20.130 14.354 8.151 1.00 71.14 H new ATOM 0 HD2 LYS A 46 19.907 13.730 5.650 1.00 51.32 H new ATOM 0 HD3 LYS A 46 18.281 14.376 5.741 1.00 51.32 H new ATOM 0 HE2 LYS A 46 19.783 16.122 4.946 1.00 70.35 H new ATOM 0 HE3 LYS A 46 19.193 16.557 6.538 1.00 70.35 H new ATOM 0 HZ1 LYS A 46 21.676 16.805 6.057 1.00 32.43 H new ATOM 0 HZ2 LYS A 46 21.229 16.075 7.524 1.00 32.43 H new ATOM 0 HZ3 LYS A 46 21.762 15.118 6.227 1.00 32.43 H new ATOM 737 N ALA A 47 16.081 11.928 9.467 1.00 52.15 N ATOM 738 CA ALA A 47 15.025 12.349 10.396 1.00 64.41 C ATOM 739 C ALA A 47 15.390 13.607 11.200 1.00 64.23 C ATOM 740 O ALA A 47 14.515 14.399 11.555 1.00 1.53 O ATOM 741 CB ALA A 47 14.699 11.204 11.341 1.00 1.34 C ATOM 0 H ALA A 47 16.440 10.992 9.653 1.00 52.15 H new ATOM 0 HA ALA A 47 14.154 12.609 9.795 1.00 64.41 H new ATOM 0 HB1 ALA A 47 13.915 11.514 12.032 1.00 1.34 H new ATOM 0 HB2 ALA A 47 14.356 10.344 10.766 1.00 1.34 H new ATOM 0 HB3 ALA A 47 15.592 10.931 11.904 1.00 1.34 H new ATOM 747 N GLU A 48 16.677 13.785 11.483 1.00 72.32 N ATOM 748 CA GLU A 48 17.161 14.946 12.251 1.00 70.42 C ATOM 749 C GLU A 48 16.719 16.286 11.627 1.00 73.31 C ATOM 750 O GLU A 48 16.692 17.316 12.303 1.00 54.33 O ATOM 751 CB GLU A 48 18.691 14.895 12.359 1.00 32.02 C ATOM 752 CG GLU A 48 19.404 14.922 11.010 1.00 54.23 C ATOM 753 CD GLU A 48 20.906 14.725 11.130 1.00 30.14 C ATOM 754 OE1 GLU A 48 21.602 15.661 11.571 1.00 51.31 O ATOM 755 OE2 GLU A 48 21.405 13.638 10.769 1.00 20.15 O ATOM 0 H GLU A 48 17.413 13.141 11.194 1.00 72.32 H new ATOM 0 HA GLU A 48 16.717 14.891 13.245 1.00 70.42 H new ATOM 0 HB2 GLU A 48 19.032 15.740 12.957 1.00 32.02 H new ATOM 0 HB3 GLU A 48 18.978 13.990 12.893 1.00 32.02 H new ATOM 0 HG2 GLU A 48 18.990 14.142 10.371 1.00 54.23 H new ATOM 0 HG3 GLU A 48 19.206 15.875 10.519 1.00 54.23 H new ATOM 762 N LYS A 49 16.374 16.267 10.336 1.00 34.51 N ATOM 763 CA LYS A 49 15.910 17.472 9.630 1.00 12.41 C ATOM 764 C LYS A 49 14.444 17.340 9.172 1.00 33.35 C ATOM 765 O LYS A 49 14.026 17.983 8.205 1.00 10.24 O ATOM 766 CB LYS A 49 16.815 17.751 8.418 1.00 54.21 C ATOM 767 CG LYS A 49 18.252 18.109 8.789 1.00 44.33 C ATOM 768 CD LYS A 49 18.324 19.389 9.625 1.00 45.40 C ATOM 769 CE LYS A 49 19.763 19.753 9.983 1.00 64.41 C ATOM 770 NZ LYS A 49 19.845 20.995 10.800 1.00 63.25 N ATOM 0 H LYS A 49 16.406 15.430 9.755 1.00 34.51 H new ATOM 0 HA LYS A 49 15.965 18.307 10.329 1.00 12.41 H new ATOM 0 HB2 LYS A 49 16.825 16.872 7.774 1.00 54.21 H new ATOM 0 HB3 LYS A 49 16.386 18.567 7.837 1.00 54.21 H new ATOM 0 HG2 LYS A 49 18.699 17.286 9.346 1.00 44.33 H new ATOM 0 HG3 LYS A 49 18.841 18.235 7.880 1.00 44.33 H new ATOM 0 HD2 LYS A 49 17.868 20.210 9.072 1.00 45.40 H new ATOM 0 HD3 LYS A 49 17.744 19.259 10.539 1.00 45.40 H new ATOM 0 HE2 LYS A 49 20.218 18.929 10.532 1.00 64.41 H new ATOM 0 HE3 LYS A 49 20.341 19.884 9.068 1.00 64.41 H new ATOM 0 HZ1 LYS A 49 20.841 21.202 11.018 1.00 63.25 H new ATOM 0 HZ2 LYS A 49 19.435 21.789 10.267 1.00 63.25 H new ATOM 0 HZ3 LYS A 49 19.316 20.863 11.686 1.00 63.25 H new ATOM 784 N SER A 50 13.658 16.529 9.881 1.00 51.02 N ATOM 785 CA SER A 50 12.240 16.319 9.532 1.00 0.41 C ATOM 786 C SER A 50 11.312 16.633 10.714 1.00 2.11 C ATOM 787 O SER A 50 11.768 16.898 11.825 1.00 53.43 O ATOM 788 CB SER A 50 12.000 14.871 9.076 1.00 15.42 C ATOM 789 OG SER A 50 12.131 13.954 10.151 1.00 4.33 O ATOM 0 H SER A 50 13.971 16.006 10.698 1.00 51.02 H new ATOM 0 HA SER A 50 12.009 17.004 8.716 1.00 0.41 H new ATOM 0 HB2 SER A 50 11.003 14.786 8.644 1.00 15.42 H new ATOM 0 HB3 SER A 50 12.710 14.614 8.290 1.00 15.42 H new ATOM 0 HG SER A 50 12.946 14.156 10.656 1.00 4.33 H new ATOM 795 N GLU A 51 10.005 16.594 10.459 1.00 13.32 N ATOM 796 CA GLU A 51 8.990 16.829 11.495 1.00 35.01 C ATOM 797 C GLU A 51 8.441 15.497 12.042 1.00 15.13 C ATOM 798 O GLU A 51 8.285 15.324 13.253 1.00 74.44 O ATOM 799 CB GLU A 51 7.829 17.658 10.920 1.00 2.12 C ATOM 800 CG GLU A 51 8.254 18.954 10.233 1.00 44.41 C ATOM 801 CD GLU A 51 8.801 20.000 11.194 1.00 42.41 C ATOM 802 OE1 GLU A 51 7.998 20.777 11.748 1.00 13.14 O ATOM 803 OE2 GLU A 51 10.036 20.069 11.375 1.00 45.23 O ATOM 0 H GLU A 51 9.618 16.400 9.536 1.00 13.32 H new ATOM 0 HA GLU A 51 9.463 17.376 12.311 1.00 35.01 H new ATOM 0 HB2 GLU A 51 7.282 17.045 10.204 1.00 2.12 H new ATOM 0 HB3 GLU A 51 7.137 17.900 11.727 1.00 2.12 H new ATOM 0 HG2 GLU A 51 9.014 18.727 9.485 1.00 44.41 H new ATOM 0 HG3 GLU A 51 7.399 19.372 9.702 1.00 44.41 H new ATOM 810 N ALA A 52 8.145 14.561 11.136 1.00 24.21 N ATOM 811 CA ALA A 52 7.577 13.255 11.511 1.00 1.23 C ATOM 812 C ALA A 52 8.192 12.107 10.690 1.00 34.12 C ATOM 813 O ALA A 52 8.753 12.329 9.616 1.00 1.44 O ATOM 814 CB ALA A 52 6.063 13.277 11.334 1.00 23.15 C ATOM 0 H ALA A 52 8.288 14.680 10.133 1.00 24.21 H new ATOM 0 HA ALA A 52 7.818 13.075 12.559 1.00 1.23 H new ATOM 0 HB1 ALA A 52 5.650 12.308 11.613 1.00 23.15 H new ATOM 0 HB2 ALA A 52 5.634 14.051 11.970 1.00 23.15 H new ATOM 0 HB3 ALA A 52 5.821 13.488 10.292 1.00 23.15 H new ATOM 820 N ILE A 53 8.068 10.879 11.197 1.00 31.34 N ATOM 821 CA ILE A 53 8.620 9.691 10.527 1.00 42.24 C ATOM 822 C ILE A 53 7.532 8.655 10.199 1.00 42.43 C ATOM 823 O ILE A 53 6.710 8.308 11.050 1.00 15.12 O ATOM 824 CB ILE A 53 9.704 9.004 11.402 1.00 61.40 C ATOM 825 CG1 ILE A 53 10.914 9.930 11.599 1.00 30.33 C ATOM 826 CG2 ILE A 53 10.142 7.669 10.793 1.00 71.54 C ATOM 827 CD1 ILE A 53 12.013 9.318 12.442 1.00 13.11 C ATOM 0 H ILE A 53 7.588 10.677 12.074 1.00 31.34 H new ATOM 0 HA ILE A 53 9.064 10.047 9.597 1.00 42.24 H new ATOM 0 HB ILE A 53 9.264 8.801 12.378 1.00 61.40 H new ATOM 0 HG12 ILE A 53 11.321 10.195 10.623 1.00 30.33 H new ATOM 0 HG13 ILE A 53 10.580 10.856 12.068 1.00 30.33 H new ATOM 0 HG21 ILE A 53 10.901 7.211 11.427 1.00 71.54 H new ATOM 0 HG22 ILE A 53 9.282 7.003 10.719 1.00 71.54 H new ATOM 0 HG23 ILE A 53 10.555 7.841 9.799 1.00 71.54 H new ATOM 0 HD11 ILE A 53 12.835 10.027 12.539 1.00 13.11 H new ATOM 0 HD12 ILE A 53 11.622 9.078 13.431 1.00 13.11 H new ATOM 0 HD13 ILE A 53 12.374 8.408 11.964 1.00 13.11 H new ATOM 839 N ILE A 54 7.540 8.158 8.964 1.00 51.04 N ATOM 840 CA ILE A 54 6.656 7.059 8.561 1.00 64.20 C ATOM 841 C ILE A 54 7.452 5.745 8.463 1.00 42.42 C ATOM 842 O ILE A 54 8.275 5.565 7.560 1.00 21.12 O ATOM 843 CB ILE A 54 5.944 7.334 7.201 1.00 11.35 C ATOM 844 CG1 ILE A 54 5.030 8.578 7.282 1.00 64.11 C ATOM 845 CG2 ILE A 54 5.129 6.112 6.770 1.00 24.00 C ATOM 846 CD1 ILE A 54 5.770 9.899 7.359 1.00 33.40 C ATOM 0 H ILE A 54 8.150 8.498 8.221 1.00 51.04 H new ATOM 0 HA ILE A 54 5.886 6.975 9.328 1.00 64.20 H new ATOM 0 HB ILE A 54 6.716 7.531 6.457 1.00 11.35 H new ATOM 0 HG12 ILE A 54 4.378 8.592 6.408 1.00 64.11 H new ATOM 0 HG13 ILE A 54 4.387 8.485 8.158 1.00 64.11 H new ATOM 0 HG21 ILE A 54 4.638 6.319 5.819 1.00 24.00 H new ATOM 0 HG22 ILE A 54 5.792 5.254 6.657 1.00 24.00 H new ATOM 0 HG23 ILE A 54 4.376 5.891 7.527 1.00 24.00 H new ATOM 0 HD11 ILE A 54 5.051 10.716 7.413 1.00 33.40 H new ATOM 0 HD12 ILE A 54 6.401 9.911 8.248 1.00 33.40 H new ATOM 0 HD13 ILE A 54 6.391 10.020 6.472 1.00 33.40 H new ATOM 858 N GLN A 55 7.213 4.838 9.407 1.00 22.14 N ATOM 859 CA GLN A 55 7.937 3.562 9.459 1.00 41.15 C ATOM 860 C GLN A 55 7.043 2.412 8.980 1.00 1.55 C ATOM 861 O GLN A 55 6.106 2.007 9.673 1.00 54.21 O ATOM 862 CB GLN A 55 8.437 3.309 10.897 1.00 12.20 C ATOM 863 CG GLN A 55 9.431 2.148 11.053 1.00 2.02 C ATOM 864 CD GLN A 55 8.785 0.767 11.080 1.00 32.13 C ATOM 865 OE1 GLN A 55 7.570 0.676 11.588 1.00 61.22 O flip ATOM 866 NE2 GLN A 55 9.379 -0.219 10.659 1.00 34.14 N flip ATOM 0 H GLN A 55 6.524 4.959 10.149 1.00 22.14 H new ATOM 0 HA GLN A 55 8.797 3.613 8.791 1.00 41.15 H new ATOM 0 HB2 GLN A 55 8.908 4.220 11.266 1.00 12.20 H new ATOM 0 HB3 GLN A 55 7.575 3.115 11.535 1.00 12.20 H new ATOM 0 HG2 GLN A 55 10.147 2.185 10.232 1.00 2.02 H new ATOM 0 HG3 GLN A 55 9.996 2.290 11.974 1.00 2.02 H new ATOM 0 HE21 GLN A 55 10.317 -0.122 10.271 1.00 34.14 H new ATOM 0 HE22 GLN A 55 8.935 -1.136 10.697 1.00 34.14 H new ATOM 875 N ILE A 56 7.325 1.891 7.790 1.00 73.23 N ATOM 876 CA ILE A 56 6.545 0.784 7.233 1.00 74.05 C ATOM 877 C ILE A 56 7.126 -0.567 7.695 1.00 3.11 C ATOM 878 O ILE A 56 8.325 -0.823 7.566 1.00 25.31 O ATOM 879 CB ILE A 56 6.474 0.881 5.676 1.00 24.11 C ATOM 880 CG1 ILE A 56 5.423 -0.088 5.080 1.00 42.43 C ATOM 881 CG2 ILE A 56 7.845 0.652 5.042 1.00 73.14 C ATOM 882 CD1 ILE A 56 5.857 -1.541 4.988 1.00 35.34 C ATOM 0 H ILE A 56 8.085 2.214 7.192 1.00 73.23 H new ATOM 0 HA ILE A 56 5.524 0.853 7.608 1.00 74.05 H new ATOM 0 HB ILE A 56 6.154 1.895 5.437 1.00 24.11 H new ATOM 0 HG12 ILE A 56 4.519 -0.034 5.686 1.00 42.43 H new ATOM 0 HG13 ILE A 56 5.159 0.259 4.081 1.00 42.43 H new ATOM 0 HG21 ILE A 56 7.761 0.726 3.958 1.00 73.14 H new ATOM 0 HG22 ILE A 56 8.544 1.406 5.404 1.00 73.14 H new ATOM 0 HG23 ILE A 56 8.209 -0.340 5.311 1.00 73.14 H new ATOM 0 HD11 ILE A 56 5.051 -2.135 4.558 1.00 35.34 H new ATOM 0 HD12 ILE A 56 6.741 -1.617 4.355 1.00 35.34 H new ATOM 0 HD13 ILE A 56 6.091 -1.915 5.985 1.00 35.34 H new ATOM 894 N VAL A 57 6.269 -1.420 8.249 1.00 72.45 N ATOM 895 CA VAL A 57 6.709 -2.698 8.815 1.00 41.44 C ATOM 896 C VAL A 57 6.897 -3.769 7.727 1.00 40.43 C ATOM 897 O VAL A 57 8.021 -4.173 7.426 1.00 53.42 O ATOM 898 CB VAL A 57 5.704 -3.211 9.878 1.00 14.15 C ATOM 899 CG1 VAL A 57 6.224 -4.473 10.562 1.00 2.23 C ATOM 900 CG2 VAL A 57 5.395 -2.120 10.904 1.00 51.23 C ATOM 0 H VAL A 57 5.265 -1.252 8.320 1.00 72.45 H new ATOM 0 HA VAL A 57 7.673 -2.517 9.291 1.00 41.44 H new ATOM 0 HB VAL A 57 4.776 -3.468 9.367 1.00 14.15 H new ATOM 0 HG11 VAL A 57 5.499 -4.811 11.303 1.00 2.23 H new ATOM 0 HG12 VAL A 57 6.373 -5.255 9.818 1.00 2.23 H new ATOM 0 HG13 VAL A 57 7.172 -4.256 11.055 1.00 2.23 H new ATOM 0 HG21 VAL A 57 4.688 -2.502 11.640 1.00 51.23 H new ATOM 0 HG22 VAL A 57 6.315 -1.821 11.406 1.00 51.23 H new ATOM 0 HG23 VAL A 57 4.961 -1.257 10.398 1.00 51.23 H new ATOM 910 N HIS A 58 5.789 -4.234 7.145 1.00 32.12 N ATOM 911 CA HIS A 58 5.826 -5.262 6.092 1.00 32.22 C ATOM 912 C HIS A 58 4.613 -5.159 5.158 1.00 63.02 C ATOM 913 O HIS A 58 3.536 -4.715 5.561 1.00 11.24 O ATOM 914 CB HIS A 58 5.878 -6.677 6.700 1.00 60.14 C ATOM 915 CG HIS A 58 7.211 -7.058 7.275 1.00 11.41 C ATOM 916 ND1 HIS A 58 7.650 -7.115 8.556 1.00 21.40 N flip ATOM 917 CD2 HIS A 58 8.277 -7.453 6.495 1.00 31.15 C flip ATOM 918 CE1 HIS A 58 8.955 -7.539 8.518 1.00 53.03 C flip ATOM 919 NE2 HIS A 58 9.306 -7.736 7.267 1.00 34.12 N flip ATOM 0 H HIS A 58 4.850 -3.916 7.384 1.00 32.12 H new ATOM 0 HA HIS A 58 6.732 -5.085 5.512 1.00 32.22 H new ATOM 0 HB2 HIS A 58 5.124 -6.750 7.484 1.00 60.14 H new ATOM 0 HB3 HIS A 58 5.608 -7.400 5.930 1.00 60.14 H new ATOM 0 HD2 HIS A 58 8.269 -7.520 5.417 1.00 31.15 H new ATOM 0 HE1 HIS A 58 9.591 -7.687 9.378 1.00 53.03 H new ATOM 0 HE2 HIS A 58 10.221 -8.054 6.948 1.00 34.12 H new ATOM 928 N ALA A 59 4.801 -5.573 3.907 1.00 74.23 N ATOM 929 CA ALA A 59 3.708 -5.654 2.931 1.00 5.12 C ATOM 930 C ALA A 59 3.468 -7.114 2.513 1.00 72.52 C ATOM 931 O ALA A 59 4.142 -7.639 1.622 1.00 10.14 O ATOM 932 CB ALA A 59 4.026 -4.788 1.717 1.00 52.03 C ATOM 0 H ALA A 59 5.708 -5.861 3.539 1.00 74.23 H new ATOM 0 HA ALA A 59 2.794 -5.280 3.393 1.00 5.12 H new ATOM 0 HB1 ALA A 59 3.209 -4.855 0.998 1.00 52.03 H new ATOM 0 HB2 ALA A 59 4.149 -3.752 2.032 1.00 52.03 H new ATOM 0 HB3 ALA A 59 4.948 -5.138 1.252 1.00 52.03 H new ATOM 938 N ILE A 60 2.519 -7.775 3.171 1.00 74.25 N ATOM 939 CA ILE A 60 2.293 -9.211 2.972 1.00 62.54 C ATOM 940 C ILE A 60 1.404 -9.488 1.746 1.00 12.04 C ATOM 941 O ILE A 60 0.322 -8.919 1.604 1.00 40.22 O ATOM 942 CB ILE A 60 1.655 -9.880 4.225 1.00 61.50 C ATOM 943 CG1 ILE A 60 2.556 -9.728 5.470 1.00 4.20 C ATOM 944 CG2 ILE A 60 1.375 -11.361 3.959 1.00 10.03 C ATOM 945 CD1 ILE A 60 2.595 -8.329 6.059 1.00 52.20 C ATOM 0 H ILE A 60 1.891 -7.342 3.848 1.00 74.25 H new ATOM 0 HA ILE A 60 3.277 -9.647 2.802 1.00 62.54 H new ATOM 0 HB ILE A 60 0.713 -9.369 4.425 1.00 61.50 H new ATOM 0 HG12 ILE A 60 2.212 -10.421 6.238 1.00 4.20 H new ATOM 0 HG13 ILE A 60 3.571 -10.024 5.205 1.00 4.20 H new ATOM 0 HG21 ILE A 60 0.929 -11.812 4.846 1.00 10.03 H new ATOM 0 HG22 ILE A 60 0.687 -11.456 3.119 1.00 10.03 H new ATOM 0 HG23 ILE A 60 2.309 -11.871 3.723 1.00 10.03 H new ATOM 0 HD11 ILE A 60 3.252 -8.319 6.929 1.00 52.20 H new ATOM 0 HD12 ILE A 60 2.971 -7.630 5.312 1.00 52.20 H new ATOM 0 HD13 ILE A 60 1.590 -8.033 6.360 1.00 52.20 H new ATOM 957 N ARG A 61 1.878 -10.368 0.865 1.00 15.53 N ATOM 958 CA ARG A 61 1.116 -10.789 -0.321 1.00 73.32 C ATOM 959 C ARG A 61 0.636 -12.240 -0.164 1.00 23.51 C ATOM 960 O ARG A 61 1.352 -13.079 0.387 1.00 30.05 O ATOM 961 CB ARG A 61 1.993 -10.702 -1.579 1.00 21.22 C ATOM 962 CG ARG A 61 2.744 -9.385 -1.741 1.00 53.24 C ATOM 963 CD ARG A 61 3.644 -9.411 -2.973 1.00 12.45 C ATOM 964 NE ARG A 61 4.552 -10.563 -2.965 1.00 30.42 N ATOM 965 CZ ARG A 61 5.107 -11.072 -4.032 1.00 4.41 C ATOM 966 NH1 ARG A 61 4.891 -10.558 -5.200 1.00 51.15 N ATOM 967 NH2 ARG A 61 5.882 -12.103 -3.930 1.00 33.44 N ATOM 0 H ARG A 61 2.794 -10.809 0.948 1.00 15.53 H new ATOM 0 HA ARG A 61 0.258 -10.124 -0.420 1.00 73.32 H new ATOM 0 HB2 ARG A 61 2.716 -11.517 -1.558 1.00 21.22 H new ATOM 0 HB3 ARG A 61 1.364 -10.856 -2.456 1.00 21.22 H new ATOM 0 HG2 ARG A 61 2.031 -8.565 -1.825 1.00 53.24 H new ATOM 0 HG3 ARG A 61 3.345 -9.194 -0.852 1.00 53.24 H new ATOM 0 HD2 ARG A 61 3.028 -9.441 -3.872 1.00 12.45 H new ATOM 0 HD3 ARG A 61 4.226 -8.491 -3.016 1.00 12.45 H new ATOM 0 HE ARG A 61 4.764 -10.995 -2.066 1.00 30.42 H new ATOM 0 HH11 ARG A 61 4.281 -9.746 -5.295 1.00 51.15 H new ATOM 0 HH12 ARG A 61 5.331 -10.965 -6.026 1.00 51.15 H new ATOM 0 HH21 ARG A 61 6.060 -12.519 -3.016 1.00 33.44 H new ATOM 0 HH22 ARG A 61 6.315 -12.500 -4.764 1.00 33.44 H new ATOM 981 N GLU A 62 -0.562 -12.544 -0.651 1.00 5.25 N ATOM 982 CA GLU A 62 -1.050 -13.928 -0.650 1.00 63.33 C ATOM 983 C GLU A 62 -2.226 -14.115 -1.622 1.00 25.34 C ATOM 984 O GLU A 62 -3.078 -13.237 -1.764 1.00 20.24 O ATOM 985 CB GLU A 62 -1.459 -14.359 0.773 1.00 75.13 C ATOM 986 CG GLU A 62 -0.860 -15.694 1.214 1.00 22.02 C ATOM 987 CD GLU A 62 -1.260 -16.851 0.313 1.00 41.44 C ATOM 988 OE1 GLU A 62 -0.553 -17.108 -0.687 1.00 72.32 O ATOM 989 OE2 GLU A 62 -2.287 -17.500 0.594 1.00 3.22 O ATOM 0 H GLU A 62 -1.210 -11.864 -1.048 1.00 5.25 H new ATOM 0 HA GLU A 62 -0.232 -14.563 -0.990 1.00 63.33 H new ATOM 0 HB2 GLU A 62 -1.154 -13.585 1.478 1.00 75.13 H new ATOM 0 HB3 GLU A 62 -2.546 -14.426 0.823 1.00 75.13 H new ATOM 0 HG2 GLU A 62 0.227 -15.611 1.229 1.00 22.02 H new ATOM 0 HG3 GLU A 62 -1.177 -15.909 2.234 1.00 22.02 H new ATOM 996 N LYS A 63 -2.267 -15.275 -2.275 1.00 11.44 N ATOM 997 CA LYS A 63 -3.315 -15.589 -3.253 1.00 64.13 C ATOM 998 C LYS A 63 -3.799 -17.042 -3.108 1.00 3.00 C ATOM 999 O LYS A 63 -3.007 -17.987 -3.165 1.00 0.52 O ATOM 1000 CB LYS A 63 -2.802 -15.333 -4.680 1.00 4.25 C ATOM 1001 CG LYS A 63 -1.532 -16.106 -5.036 1.00 41.21 C ATOM 1002 CD LYS A 63 -1.071 -15.827 -6.466 1.00 55.35 C ATOM 1003 CE LYS A 63 -2.101 -16.272 -7.500 1.00 31.44 C ATOM 1004 NZ LYS A 63 -1.637 -16.024 -8.890 1.00 45.32 N ATOM 0 H LYS A 63 -1.583 -16.020 -2.145 1.00 11.44 H new ATOM 0 HA LYS A 63 -4.165 -14.935 -3.059 1.00 64.13 H new ATOM 0 HB2 LYS A 63 -3.586 -15.598 -5.389 1.00 4.25 H new ATOM 0 HB3 LYS A 63 -2.611 -14.267 -4.800 1.00 4.25 H new ATOM 0 HG2 LYS A 63 -0.737 -15.837 -4.340 1.00 41.21 H new ATOM 0 HG3 LYS A 63 -1.713 -17.174 -4.916 1.00 41.21 H new ATOM 0 HD2 LYS A 63 -0.879 -14.760 -6.583 1.00 55.35 H new ATOM 0 HD3 LYS A 63 -0.128 -16.343 -6.649 1.00 55.35 H new ATOM 0 HE2 LYS A 63 -2.309 -17.334 -7.371 1.00 31.44 H new ATOM 0 HE3 LYS A 63 -3.038 -15.741 -7.330 1.00 31.44 H new ATOM 0 HZ1 LYS A 63 -1.980 -16.784 -9.511 1.00 45.32 H new ATOM 0 HZ2 LYS A 63 -2.008 -15.111 -9.222 1.00 45.32 H new ATOM 0 HZ3 LYS A 63 -0.597 -16.003 -8.910 1.00 45.32 H new ATOM 1018 N ARG A 64 -5.105 -17.214 -2.923 1.00 12.03 N ATOM 1019 CA ARG A 64 -5.704 -18.548 -2.765 1.00 75.40 C ATOM 1020 C ARG A 64 -7.066 -18.633 -3.467 1.00 74.43 C ATOM 1021 O ARG A 64 -7.669 -17.611 -3.797 1.00 13.41 O ATOM 1022 CB ARG A 64 -5.860 -18.909 -1.276 1.00 35.01 C ATOM 1023 CG ARG A 64 -6.826 -18.012 -0.494 1.00 3.11 C ATOM 1024 CD ARG A 64 -6.238 -16.634 -0.212 1.00 20.24 C ATOM 1025 NE ARG A 64 -5.048 -16.712 0.635 1.00 54.24 N ATOM 1026 CZ ARG A 64 -4.939 -16.142 1.805 1.00 32.52 C ATOM 1027 NH1 ARG A 64 -5.903 -15.428 2.285 1.00 40.02 N ATOM 1028 NH2 ARG A 64 -3.855 -16.283 2.493 1.00 44.34 N ATOM 0 H ARG A 64 -5.776 -16.447 -2.878 1.00 12.03 H new ATOM 0 HA ARG A 64 -5.029 -19.265 -3.232 1.00 75.40 H new ATOM 0 HB2 ARG A 64 -6.203 -19.941 -1.201 1.00 35.01 H new ATOM 0 HB3 ARG A 64 -4.880 -18.864 -0.801 1.00 35.01 H new ATOM 0 HG2 ARG A 64 -7.752 -17.901 -1.058 1.00 3.11 H new ATOM 0 HG3 ARG A 64 -7.083 -18.494 0.449 1.00 3.11 H new ATOM 0 HD2 ARG A 64 -5.982 -16.149 -1.154 1.00 20.24 H new ATOM 0 HD3 ARG A 64 -6.989 -16.011 0.274 1.00 20.24 H new ATOM 0 HE ARG A 64 -4.251 -17.247 0.289 1.00 54.24 H new ATOM 0 HH11 ARG A 64 -6.762 -15.304 1.749 1.00 40.02 H new ATOM 0 HH12 ARG A 64 -5.805 -14.988 3.200 1.00 40.02 H new ATOM 0 HH21 ARG A 64 -3.085 -16.839 2.122 1.00 44.34 H new ATOM 0 HH22 ARG A 64 -3.769 -15.838 3.407 1.00 44.34 H new ATOM 1042 N ILE A 65 -7.553 -19.853 -3.689 1.00 31.41 N ATOM 1043 CA ILE A 65 -8.836 -20.054 -4.372 1.00 23.33 C ATOM 1044 C ILE A 65 -10.010 -19.621 -3.458 1.00 33.24 C ATOM 1045 O ILE A 65 -10.072 -19.989 -2.281 1.00 32.14 O ATOM 1046 CB ILE A 65 -8.987 -21.539 -4.847 1.00 44.43 C ATOM 1047 CG1 ILE A 65 -9.728 -21.623 -6.197 1.00 33.41 C ATOM 1048 CG2 ILE A 65 -9.684 -22.413 -3.802 1.00 22.34 C ATOM 1049 CD1 ILE A 65 -11.143 -21.088 -6.175 1.00 10.15 C ATOM 0 H ILE A 65 -7.084 -20.714 -3.409 1.00 31.41 H new ATOM 0 HA ILE A 65 -8.860 -19.425 -5.262 1.00 23.33 H new ATOM 0 HB ILE A 65 -7.977 -21.927 -4.980 1.00 44.43 H new ATOM 0 HG12 ILE A 65 -9.157 -21.072 -6.944 1.00 33.41 H new ATOM 0 HG13 ILE A 65 -9.753 -22.664 -6.519 1.00 33.41 H new ATOM 0 HG21 ILE A 65 -9.765 -23.433 -4.177 1.00 22.34 H new ATOM 0 HG22 ILE A 65 -9.103 -22.411 -2.880 1.00 22.34 H new ATOM 0 HG23 ILE A 65 -10.681 -22.019 -3.604 1.00 22.34 H new ATOM 0 HD11 ILE A 65 -11.585 -21.188 -7.166 1.00 10.15 H new ATOM 0 HD12 ILE A 65 -11.735 -21.654 -5.455 1.00 10.15 H new ATOM 0 HD13 ILE A 65 -11.130 -20.037 -5.888 1.00 10.15 H new ATOM 1061 N LEU A 66 -10.922 -18.805 -3.998 1.00 24.41 N ATOM 1062 CA LEU A 66 -12.034 -18.244 -3.210 1.00 32.34 C ATOM 1063 C LEU A 66 -13.390 -18.883 -3.569 1.00 54.11 C ATOM 1064 O LEU A 66 -14.247 -19.072 -2.703 1.00 51.50 O ATOM 1065 CB LEU A 66 -12.101 -16.724 -3.423 1.00 2.53 C ATOM 1066 CG LEU A 66 -13.162 -15.982 -2.592 1.00 3.11 C ATOM 1067 CD1 LEU A 66 -12.878 -16.123 -1.097 1.00 71.53 C ATOM 1068 CD2 LEU A 66 -13.230 -14.511 -2.996 1.00 32.04 C ATOM 0 H LEU A 66 -10.915 -18.516 -4.976 1.00 24.41 H new ATOM 0 HA LEU A 66 -11.839 -18.469 -2.161 1.00 32.34 H new ATOM 0 HB2 LEU A 66 -11.124 -16.300 -3.193 1.00 2.53 H new ATOM 0 HB3 LEU A 66 -12.292 -16.531 -4.479 1.00 2.53 H new ATOM 0 HG LEU A 66 -14.132 -16.436 -2.795 1.00 3.11 H new ATOM 0 HD11 LEU A 66 -13.641 -15.590 -0.530 1.00 71.53 H new ATOM 0 HD12 LEU A 66 -12.892 -17.178 -0.822 1.00 71.53 H new ATOM 0 HD13 LEU A 66 -11.898 -15.702 -0.871 1.00 71.53 H new ATOM 0 HD21 LEU A 66 -13.986 -14.004 -2.397 1.00 32.04 H new ATOM 0 HD22 LEU A 66 -12.260 -14.043 -2.829 1.00 32.04 H new ATOM 0 HD23 LEU A 66 -13.492 -14.435 -4.051 1.00 32.04 H new ATOM 1080 N SER A 67 -13.589 -19.197 -4.847 1.00 3.21 N ATOM 1081 CA SER A 67 -14.852 -19.805 -5.314 1.00 22.34 C ATOM 1082 C SER A 67 -14.607 -20.754 -6.493 1.00 40.13 C ATOM 1083 O SER A 67 -13.829 -20.439 -7.393 1.00 71.30 O ATOM 1084 CB SER A 67 -15.850 -18.713 -5.731 1.00 33.32 C ATOM 1085 OG SER A 67 -17.062 -19.274 -6.213 1.00 41.22 O ATOM 0 H SER A 67 -12.899 -19.045 -5.583 1.00 3.21 H new ATOM 0 HA SER A 67 -15.269 -20.379 -4.487 1.00 22.34 H new ATOM 0 HB2 SER A 67 -16.060 -18.066 -4.879 1.00 33.32 H new ATOM 0 HB3 SER A 67 -15.404 -18.087 -6.504 1.00 33.32 H new ATOM 0 HG SER A 67 -17.677 -18.555 -6.469 1.00 41.22 H new ATOM 1091 N LEU A 68 -15.270 -21.909 -6.488 1.00 23.20 N ATOM 1092 CA LEU A 68 -15.076 -22.930 -7.532 1.00 34.34 C ATOM 1093 C LEU A 68 -16.256 -22.994 -8.520 1.00 13.32 C ATOM 1094 O LEU A 68 -17.412 -22.819 -8.140 1.00 34.43 O ATOM 1095 CB LEU A 68 -14.878 -24.313 -6.890 1.00 71.32 C ATOM 1096 CG LEU A 68 -13.594 -24.486 -6.061 1.00 0.34 C ATOM 1097 CD1 LEU A 68 -13.551 -25.868 -5.414 1.00 21.32 C ATOM 1098 CD2 LEU A 68 -12.359 -24.262 -6.930 1.00 71.34 C ATOM 0 H LEU A 68 -15.950 -22.168 -5.773 1.00 23.20 H new ATOM 0 HA LEU A 68 -14.186 -22.643 -8.093 1.00 34.34 H new ATOM 0 HB2 LEU A 68 -15.734 -24.521 -6.248 1.00 71.32 H new ATOM 0 HB3 LEU A 68 -14.882 -25.064 -7.680 1.00 71.32 H new ATOM 0 HG LEU A 68 -13.597 -23.738 -5.268 1.00 0.34 H new ATOM 0 HD11 LEU A 68 -12.635 -25.969 -4.832 1.00 21.32 H new ATOM 0 HD12 LEU A 68 -14.413 -25.989 -4.758 1.00 21.32 H new ATOM 0 HD13 LEU A 68 -13.575 -26.634 -6.189 1.00 21.32 H new ATOM 0 HD21 LEU A 68 -11.461 -24.389 -6.325 1.00 71.34 H new ATOM 0 HD22 LEU A 68 -12.352 -24.985 -7.746 1.00 71.34 H new ATOM 0 HD23 LEU A 68 -12.381 -23.252 -7.340 1.00 71.34 H new ATOM 1110 N SER A 69 -15.942 -23.254 -9.793 1.00 74.41 N ATOM 1111 CA SER A 69 -16.958 -23.471 -10.843 1.00 5.22 C ATOM 1112 C SER A 69 -17.090 -24.968 -11.140 1.00 15.34 C ATOM 1113 O SER A 69 -16.108 -25.703 -11.053 1.00 21.54 O ATOM 1114 CB SER A 69 -16.572 -22.727 -12.133 1.00 50.43 C ATOM 1115 OG SER A 69 -17.583 -22.837 -13.125 1.00 4.22 O ATOM 0 H SER A 69 -14.982 -23.321 -10.130 1.00 74.41 H new ATOM 0 HA SER A 69 -17.911 -23.083 -10.483 1.00 5.22 H new ATOM 0 HB2 SER A 69 -16.396 -21.675 -11.908 1.00 50.43 H new ATOM 0 HB3 SER A 69 -15.637 -23.131 -12.520 1.00 50.43 H new ATOM 0 HG SER A 69 -17.306 -22.352 -13.930 1.00 4.22 H new ATOM 1121 N GLU A 70 -18.299 -25.423 -11.473 1.00 75.21 N ATOM 1122 CA GLU A 70 -18.557 -26.854 -11.742 1.00 63.13 C ATOM 1123 C GLU A 70 -18.200 -27.743 -10.531 1.00 34.35 C ATOM 1124 O GLU A 70 -18.135 -28.968 -10.649 1.00 53.10 O ATOM 1125 CB GLU A 70 -17.759 -27.321 -12.973 1.00 24.24 C ATOM 1126 CG GLU A 70 -18.058 -26.552 -14.258 1.00 13.03 C ATOM 1127 CD GLU A 70 -19.498 -26.705 -14.720 1.00 61.35 C ATOM 1128 OE1 GLU A 70 -19.839 -27.772 -15.273 1.00 32.01 O ATOM 1129 OE2 GLU A 70 -20.295 -25.763 -14.529 1.00 11.03 O ATOM 0 H GLU A 70 -19.121 -24.827 -11.565 1.00 75.21 H new ATOM 0 HA GLU A 70 -19.625 -26.956 -11.935 1.00 63.13 H new ATOM 0 HB2 GLU A 70 -16.695 -27.234 -12.753 1.00 24.24 H new ATOM 0 HB3 GLU A 70 -17.964 -28.378 -13.142 1.00 24.24 H new ATOM 0 HG2 GLU A 70 -17.843 -25.495 -14.101 1.00 13.03 H new ATOM 0 HG3 GLU A 70 -17.390 -26.899 -15.046 1.00 13.03 H new ATOM 1136 N SER A 71 -17.978 -27.114 -9.371 1.00 25.24 N ATOM 1137 CA SER A 71 -17.505 -27.816 -8.161 1.00 31.22 C ATOM 1138 C SER A 71 -16.118 -28.447 -8.375 1.00 54.45 C ATOM 1139 O SER A 71 -15.703 -29.331 -7.624 1.00 3.44 O ATOM 1140 CB SER A 71 -18.513 -28.890 -7.713 1.00 64.14 C ATOM 1141 OG SER A 71 -19.765 -28.313 -7.367 1.00 73.11 O ATOM 0 H SER A 71 -18.118 -26.112 -9.240 1.00 25.24 H new ATOM 0 HA SER A 71 -17.418 -27.069 -7.372 1.00 31.22 H new ATOM 0 HB2 SER A 71 -18.654 -29.616 -8.514 1.00 64.14 H new ATOM 0 HB3 SER A 71 -18.112 -29.433 -6.857 1.00 64.14 H new ATOM 0 HG SER A 71 -20.385 -29.019 -7.088 1.00 73.11 H new ATOM 1147 N GLY A 72 -15.394 -27.964 -9.388 1.00 13.15 N ATOM 1148 CA GLY A 72 -14.067 -28.500 -9.704 1.00 64.22 C ATOM 1149 C GLY A 72 -13.135 -27.464 -10.330 1.00 4.51 C ATOM 1150 O GLY A 72 -11.942 -27.421 -10.025 1.00 22.33 O ATOM 0 H GLY A 72 -15.701 -27.208 -10.000 1.00 13.15 H new ATOM 0 HA2 GLY A 72 -13.611 -28.886 -8.792 1.00 64.22 H new ATOM 0 HA3 GLY A 72 -14.175 -29.342 -10.387 1.00 64.22 H new ATOM 1154 N ARG A 73 -13.675 -26.639 -11.227 1.00 40.04 N ATOM 1155 CA ARG A 73 -12.915 -25.548 -11.854 1.00 5.32 C ATOM 1156 C ARG A 73 -12.856 -24.312 -10.936 1.00 23.01 C ATOM 1157 O ARG A 73 -13.442 -24.304 -9.856 1.00 44.11 O ATOM 1158 CB ARG A 73 -13.549 -25.171 -13.202 1.00 73.53 C ATOM 1159 CG ARG A 73 -13.614 -26.329 -14.197 1.00 2.20 C ATOM 1160 CD ARG A 73 -12.227 -26.851 -14.565 1.00 23.44 C ATOM 1161 NE ARG A 73 -12.295 -27.972 -15.498 1.00 74.32 N ATOM 1162 CZ ARG A 73 -11.256 -28.597 -15.982 1.00 72.02 C ATOM 1163 NH1 ARG A 73 -10.055 -28.243 -15.648 1.00 34.01 N ATOM 1164 NH2 ARG A 73 -11.425 -29.579 -16.805 1.00 45.50 N ATOM 0 H ARG A 73 -14.644 -26.704 -11.540 1.00 40.04 H new ATOM 0 HA ARG A 73 -11.896 -25.897 -12.020 1.00 5.32 H new ATOM 0 HB2 ARG A 73 -14.558 -24.797 -13.027 1.00 73.53 H new ATOM 0 HB3 ARG A 73 -12.979 -24.354 -13.645 1.00 73.53 H new ATOM 0 HG2 ARG A 73 -14.204 -27.140 -13.770 1.00 2.20 H new ATOM 0 HG3 ARG A 73 -14.129 -26.001 -15.100 1.00 2.20 H new ATOM 0 HD2 ARG A 73 -11.642 -26.045 -15.008 1.00 23.44 H new ATOM 0 HD3 ARG A 73 -11.705 -27.163 -13.660 1.00 23.44 H new ATOM 0 HE ARG A 73 -13.219 -28.289 -15.792 1.00 74.32 H new ATOM 0 HH11 ARG A 73 -9.913 -27.468 -15.000 1.00 34.01 H new ATOM 0 HH12 ARG A 73 -9.251 -28.739 -16.033 1.00 34.01 H new ATOM 0 HH21 ARG A 73 -12.367 -29.863 -17.074 1.00 45.50 H new ATOM 0 HH22 ARG A 73 -10.616 -30.070 -17.186 1.00 45.50 H new ATOM 1178 N VAL A 74 -12.155 -23.267 -11.370 1.00 2.44 N ATOM 1179 CA VAL A 74 -11.994 -22.048 -10.560 1.00 4.13 C ATOM 1180 C VAL A 74 -12.894 -20.888 -11.043 1.00 72.24 C ATOM 1181 O VAL A 74 -12.972 -20.601 -12.237 1.00 73.33 O ATOM 1182 CB VAL A 74 -10.517 -21.574 -10.562 1.00 62.31 C ATOM 1183 CG1 VAL A 74 -10.343 -20.322 -9.705 1.00 42.42 C ATOM 1184 CG2 VAL A 74 -9.589 -22.692 -10.082 1.00 24.30 C ATOM 0 H VAL A 74 -11.688 -23.234 -12.276 1.00 2.44 H new ATOM 0 HA VAL A 74 -12.299 -22.315 -9.548 1.00 4.13 H new ATOM 0 HB VAL A 74 -10.246 -21.321 -11.587 1.00 62.31 H new ATOM 0 HG11 VAL A 74 -9.299 -20.011 -9.723 1.00 42.42 H new ATOM 0 HG12 VAL A 74 -10.968 -19.521 -10.100 1.00 42.42 H new ATOM 0 HG13 VAL A 74 -10.639 -20.540 -8.679 1.00 42.42 H new ATOM 0 HG21 VAL A 74 -8.558 -22.338 -10.091 1.00 24.30 H new ATOM 0 HG22 VAL A 74 -9.864 -22.983 -9.068 1.00 24.30 H new ATOM 0 HG23 VAL A 74 -9.683 -23.553 -10.744 1.00 24.30 H new ATOM 1194 N ARG A 75 -13.577 -20.237 -10.096 1.00 52.03 N ATOM 1195 CA ARG A 75 -14.366 -19.021 -10.373 1.00 42.13 C ATOM 1196 C ARG A 75 -13.582 -17.750 -10.009 1.00 62.51 C ATOM 1197 O ARG A 75 -13.331 -16.893 -10.857 1.00 23.03 O ATOM 1198 CB ARG A 75 -15.680 -19.019 -9.569 1.00 20.50 C ATOM 1199 CG ARG A 75 -16.818 -19.832 -10.173 1.00 25.53 C ATOM 1200 CD ARG A 75 -18.046 -19.808 -9.265 1.00 3.40 C ATOM 1201 NE ARG A 75 -19.228 -20.392 -9.894 1.00 34.11 N ATOM 1202 CZ ARG A 75 -20.074 -21.181 -9.284 1.00 1.04 C ATOM 1203 NH1 ARG A 75 -19.816 -21.639 -8.102 1.00 14.20 N ATOM 1204 NH2 ARG A 75 -21.160 -21.541 -9.881 1.00 52.34 N ATOM 0 H ARG A 75 -13.602 -20.532 -9.120 1.00 52.03 H new ATOM 0 HA ARG A 75 -14.582 -19.026 -11.441 1.00 42.13 H new ATOM 0 HB2 ARG A 75 -15.475 -19.401 -8.569 1.00 20.50 H new ATOM 0 HB3 ARG A 75 -16.014 -17.988 -9.454 1.00 20.50 H new ATOM 0 HG2 ARG A 75 -17.077 -19.431 -11.153 1.00 25.53 H new ATOM 0 HG3 ARG A 75 -16.494 -20.861 -10.326 1.00 25.53 H new ATOM 0 HD2 ARG A 75 -17.823 -20.351 -8.346 1.00 3.40 H new ATOM 0 HD3 ARG A 75 -18.262 -18.778 -8.982 1.00 3.40 H new ATOM 0 HE ARG A 75 -19.405 -20.170 -10.874 1.00 34.11 H new ATOM 0 HH11 ARG A 75 -18.945 -21.385 -7.636 1.00 14.20 H new ATOM 0 HH12 ARG A 75 -20.484 -22.254 -7.636 1.00 14.20 H new ATOM 0 HH21 ARG A 75 -21.356 -21.210 -10.826 1.00 52.34 H new ATOM 0 HH22 ARG A 75 -21.822 -22.156 -9.408 1.00 52.34 H new ATOM 1218 N GLU A 76 -13.215 -17.635 -8.729 1.00 41.34 N ATOM 1219 CA GLU A 76 -12.612 -16.404 -8.193 1.00 22.23 C ATOM 1220 C GLU A 76 -11.397 -16.705 -7.303 1.00 21.02 C ATOM 1221 O GLU A 76 -11.333 -17.750 -6.646 1.00 60.24 O ATOM 1222 CB GLU A 76 -13.654 -15.627 -7.374 1.00 74.21 C ATOM 1223 CG GLU A 76 -14.945 -15.323 -8.130 1.00 0.31 C ATOM 1224 CD GLU A 76 -15.990 -14.652 -7.255 1.00 70.22 C ATOM 1225 OE1 GLU A 76 -16.589 -15.340 -6.401 1.00 62.44 O ATOM 1226 OE2 GLU A 76 -16.208 -13.433 -7.404 1.00 52.23 O ATOM 0 H GLU A 76 -13.324 -18.380 -8.041 1.00 41.34 H new ATOM 0 HA GLU A 76 -12.276 -15.807 -9.041 1.00 22.23 H new ATOM 0 HB2 GLU A 76 -13.897 -16.200 -6.479 1.00 74.21 H new ATOM 0 HB3 GLU A 76 -13.211 -14.688 -7.041 1.00 74.21 H new ATOM 0 HG2 GLU A 76 -14.721 -14.679 -8.980 1.00 0.31 H new ATOM 0 HG3 GLU A 76 -15.354 -16.250 -8.531 1.00 0.31 H new ATOM 1233 N PHE A 77 -10.445 -15.773 -7.271 1.00 64.40 N ATOM 1234 CA PHE A 77 -9.246 -15.895 -6.425 1.00 63.51 C ATOM 1235 C PHE A 77 -9.166 -14.741 -5.411 1.00 35.34 C ATOM 1236 O PHE A 77 -9.425 -13.588 -5.746 1.00 52.43 O ATOM 1237 CB PHE A 77 -7.979 -15.918 -7.306 1.00 42.43 C ATOM 1238 CG PHE A 77 -7.129 -17.158 -7.145 1.00 44.32 C ATOM 1239 CD1 PHE A 77 -7.595 -18.394 -7.569 1.00 5.14 C ATOM 1240 CD2 PHE A 77 -5.862 -17.084 -6.580 1.00 62.51 C ATOM 1241 CE1 PHE A 77 -6.818 -19.529 -7.434 1.00 30.11 C ATOM 1242 CE2 PHE A 77 -5.082 -18.217 -6.442 1.00 45.33 C ATOM 1243 CZ PHE A 77 -5.561 -19.441 -6.868 1.00 11.32 C ATOM 0 H PHE A 77 -10.477 -14.917 -7.824 1.00 64.40 H new ATOM 0 HA PHE A 77 -9.313 -16.830 -5.869 1.00 63.51 H new ATOM 0 HB2 PHE A 77 -8.276 -15.829 -8.351 1.00 42.43 H new ATOM 0 HB3 PHE A 77 -7.372 -15.043 -7.072 1.00 42.43 H new ATOM 0 HD1 PHE A 77 -8.578 -18.470 -8.010 1.00 5.14 H new ATOM 0 HD2 PHE A 77 -5.482 -16.130 -6.245 1.00 62.51 H new ATOM 0 HE1 PHE A 77 -7.193 -20.484 -7.771 1.00 30.11 H new ATOM 0 HE2 PHE A 77 -4.099 -18.145 -6.001 1.00 45.33 H new ATOM 0 HZ PHE A 77 -4.954 -20.327 -6.759 1.00 11.32 H new ATOM 1253 N GLU A 78 -8.801 -15.059 -4.171 1.00 33.15 N ATOM 1254 CA GLU A 78 -8.652 -14.042 -3.126 1.00 11.11 C ATOM 1255 C GLU A 78 -7.211 -13.512 -3.072 1.00 11.21 C ATOM 1256 O GLU A 78 -6.303 -14.193 -2.584 1.00 12.14 O ATOM 1257 CB GLU A 78 -9.055 -14.612 -1.753 1.00 4.11 C ATOM 1258 CG GLU A 78 -8.929 -13.606 -0.606 1.00 73.33 C ATOM 1259 CD GLU A 78 -9.314 -14.193 0.746 1.00 15.52 C ATOM 1260 OE1 GLU A 78 -10.507 -14.126 1.115 1.00 64.03 O ATOM 1261 OE2 GLU A 78 -8.426 -14.723 1.450 1.00 52.04 O ATOM 0 H GLU A 78 -8.603 -16.011 -3.863 1.00 33.15 H new ATOM 0 HA GLU A 78 -9.315 -13.213 -3.372 1.00 11.11 H new ATOM 0 HB2 GLU A 78 -10.085 -14.964 -1.804 1.00 4.11 H new ATOM 0 HB3 GLU A 78 -8.433 -15.480 -1.533 1.00 4.11 H new ATOM 0 HG2 GLU A 78 -7.902 -13.243 -0.559 1.00 73.33 H new ATOM 0 HG3 GLU A 78 -9.562 -12.744 -0.815 1.00 73.33 H new ATOM 1268 N LEU A 79 -7.007 -12.310 -3.605 1.00 64.32 N ATOM 1269 CA LEU A 79 -5.702 -11.641 -3.549 1.00 33.55 C ATOM 1270 C LEU A 79 -5.626 -10.729 -2.314 1.00 22.10 C ATOM 1271 O LEU A 79 -6.096 -9.589 -2.345 1.00 41.22 O ATOM 1272 CB LEU A 79 -5.480 -10.814 -4.826 1.00 25.24 C ATOM 1273 CG LEU A 79 -5.670 -11.571 -6.153 1.00 61.44 C ATOM 1274 CD1 LEU A 79 -5.531 -10.621 -7.341 1.00 54.24 C ATOM 1275 CD2 LEU A 79 -4.679 -12.726 -6.267 1.00 45.21 C ATOM 0 H LEU A 79 -7.731 -11.774 -4.084 1.00 64.32 H new ATOM 0 HA LEU A 79 -4.922 -12.399 -3.476 1.00 33.55 H new ATOM 0 HB2 LEU A 79 -6.165 -9.966 -4.811 1.00 25.24 H new ATOM 0 HB3 LEU A 79 -4.469 -10.407 -4.802 1.00 25.24 H new ATOM 0 HG LEU A 79 -6.677 -11.987 -6.164 1.00 61.44 H new ATOM 0 HD11 LEU A 79 -5.669 -11.176 -8.269 1.00 54.24 H new ATOM 0 HD12 LEU A 79 -6.286 -9.838 -7.271 1.00 54.24 H new ATOM 0 HD13 LEU A 79 -4.539 -10.170 -7.332 1.00 54.24 H new ATOM 0 HD21 LEU A 79 -4.833 -13.246 -7.213 1.00 45.21 H new ATOM 0 HD22 LEU A 79 -3.661 -12.337 -6.228 1.00 45.21 H new ATOM 0 HD23 LEU A 79 -4.834 -13.421 -5.442 1.00 45.21 H new ATOM 1287 N VAL A 80 -5.060 -11.239 -1.223 1.00 2.10 N ATOM 1288 CA VAL A 80 -4.994 -10.484 0.033 1.00 31.05 C ATOM 1289 C VAL A 80 -3.619 -9.810 0.234 1.00 14.42 C ATOM 1290 O VAL A 80 -2.614 -10.461 0.534 1.00 62.40 O ATOM 1291 CB VAL A 80 -5.349 -11.378 1.257 1.00 1.11 C ATOM 1292 CG1 VAL A 80 -4.453 -12.611 1.325 1.00 11.43 C ATOM 1293 CG2 VAL A 80 -5.277 -10.573 2.556 1.00 73.20 C ATOM 0 H VAL A 80 -4.641 -12.168 -1.179 1.00 2.10 H new ATOM 0 HA VAL A 80 -5.741 -9.694 -0.040 1.00 31.05 H new ATOM 0 HB VAL A 80 -6.374 -11.725 1.129 1.00 1.11 H new ATOM 0 HG11 VAL A 80 -4.728 -13.213 2.191 1.00 11.43 H new ATOM 0 HG12 VAL A 80 -4.578 -13.202 0.418 1.00 11.43 H new ATOM 0 HG13 VAL A 80 -3.412 -12.300 1.415 1.00 11.43 H new ATOM 0 HG21 VAL A 80 -5.529 -11.218 3.398 1.00 73.20 H new ATOM 0 HG22 VAL A 80 -4.268 -10.183 2.687 1.00 73.20 H new ATOM 0 HG23 VAL A 80 -5.983 -9.744 2.510 1.00 73.20 H new ATOM 1303 N TYR A 81 -3.594 -8.494 0.044 1.00 0.44 N ATOM 1304 CA TYR A 81 -2.384 -7.687 0.229 1.00 52.41 C ATOM 1305 C TYR A 81 -2.503 -6.826 1.499 1.00 33.35 C ATOM 1306 O TYR A 81 -3.282 -5.875 1.548 1.00 24.31 O ATOM 1307 CB TYR A 81 -2.180 -6.805 -1.009 1.00 11.53 C ATOM 1308 CG TYR A 81 -0.892 -5.998 -1.020 1.00 23.21 C ATOM 1309 CD1 TYR A 81 0.344 -6.613 -0.842 1.00 32.41 C ATOM 1310 CD2 TYR A 81 -0.913 -4.622 -1.224 1.00 60.23 C ATOM 1311 CE1 TYR A 81 1.517 -5.880 -0.868 1.00 33.13 C ATOM 1312 CE2 TYR A 81 0.254 -3.886 -1.256 1.00 10.12 C ATOM 1313 CZ TYR A 81 1.466 -4.516 -1.076 1.00 53.42 C ATOM 1314 OH TYR A 81 2.630 -3.782 -1.111 1.00 23.42 O ATOM 0 H TYR A 81 -4.410 -7.954 -0.243 1.00 0.44 H new ATOM 0 HA TYR A 81 -1.521 -8.342 0.350 1.00 52.41 H new ATOM 0 HB2 TYR A 81 -2.201 -7.439 -1.895 1.00 11.53 H new ATOM 0 HB3 TYR A 81 -3.022 -6.118 -1.089 1.00 11.53 H new ATOM 0 HD1 TYR A 81 0.388 -7.680 -0.681 1.00 32.41 H new ATOM 0 HD2 TYR A 81 -1.860 -4.121 -1.360 1.00 60.23 H new ATOM 0 HE1 TYR A 81 2.468 -6.372 -0.726 1.00 33.13 H new ATOM 0 HE2 TYR A 81 0.217 -2.819 -1.422 1.00 10.12 H new ATOM 0 HH TYR A 81 2.417 -2.838 -1.268 1.00 23.42 H new ATOM 1324 N ARG A 82 -1.744 -7.180 2.535 1.00 35.34 N ATOM 1325 CA ARG A 82 -1.836 -6.503 3.837 1.00 61.31 C ATOM 1326 C ARG A 82 -0.575 -5.685 4.153 1.00 65.41 C ATOM 1327 O ARG A 82 0.486 -6.241 4.438 1.00 72.12 O ATOM 1328 CB ARG A 82 -2.085 -7.538 4.944 1.00 42.12 C ATOM 1329 CG ARG A 82 -3.428 -8.254 4.822 1.00 72.21 C ATOM 1330 CD ARG A 82 -3.609 -9.321 5.898 1.00 54.13 C ATOM 1331 NE ARG A 82 -2.652 -10.414 5.754 1.00 44.11 N ATOM 1332 CZ ARG A 82 -2.527 -11.402 6.601 1.00 33.20 C ATOM 1333 NH1 ARG A 82 -3.284 -11.477 7.648 1.00 62.24 N ATOM 1334 NH2 ARG A 82 -1.659 -12.331 6.378 1.00 5.10 N ATOM 0 H ARG A 82 -1.056 -7.932 2.502 1.00 35.34 H new ATOM 0 HA ARG A 82 -2.672 -5.805 3.789 1.00 61.31 H new ATOM 0 HB2 ARG A 82 -1.285 -8.278 4.924 1.00 42.12 H new ATOM 0 HB3 ARG A 82 -2.035 -7.041 5.913 1.00 42.12 H new ATOM 0 HG2 ARG A 82 -4.235 -7.525 4.895 1.00 72.21 H new ATOM 0 HG3 ARG A 82 -3.504 -8.716 3.838 1.00 72.21 H new ATOM 0 HD2 ARG A 82 -3.494 -8.866 6.882 1.00 54.13 H new ATOM 0 HD3 ARG A 82 -4.623 -9.718 5.847 1.00 54.13 H new ATOM 0 HE ARG A 82 -2.040 -10.406 4.938 1.00 44.11 H new ATOM 0 HH11 ARG A 82 -3.989 -10.760 7.820 1.00 62.24 H new ATOM 0 HH12 ARG A 82 -3.176 -12.253 8.301 1.00 62.24 H new ATOM 0 HH21 ARG A 82 -1.074 -12.293 5.543 1.00 5.10 H new ATOM 0 HH22 ARG A 82 -1.558 -13.104 7.036 1.00 5.10 H new ATOM 1348 N VAL A 83 -0.699 -4.360 4.099 1.00 74.42 N ATOM 1349 CA VAL A 83 0.414 -3.458 4.429 1.00 4.51 C ATOM 1350 C VAL A 83 0.295 -2.925 5.866 1.00 3.40 C ATOM 1351 O VAL A 83 -0.678 -2.255 6.210 1.00 31.40 O ATOM 1352 CB VAL A 83 0.475 -2.257 3.452 1.00 23.03 C ATOM 1353 CG1 VAL A 83 1.644 -1.333 3.792 1.00 12.14 C ATOM 1354 CG2 VAL A 83 0.566 -2.741 2.007 1.00 23.00 C ATOM 0 H VAL A 83 -1.559 -3.882 3.830 1.00 74.42 H new ATOM 0 HA VAL A 83 1.329 -4.043 4.337 1.00 4.51 H new ATOM 0 HB VAL A 83 -0.446 -1.685 3.562 1.00 23.03 H new ATOM 0 HG11 VAL A 83 1.664 -0.498 3.091 1.00 12.14 H new ATOM 0 HG12 VAL A 83 1.524 -0.952 4.806 1.00 12.14 H new ATOM 0 HG13 VAL A 83 2.579 -1.888 3.721 1.00 12.14 H new ATOM 0 HG21 VAL A 83 0.608 -1.882 1.337 1.00 23.00 H new ATOM 0 HG22 VAL A 83 1.466 -3.343 1.881 1.00 23.00 H new ATOM 0 HG23 VAL A 83 -0.310 -3.344 1.769 1.00 23.00 H new ATOM 1364 N ALA A 84 1.290 -3.224 6.699 1.00 74.35 N ATOM 1365 CA ALA A 84 1.312 -2.748 8.090 1.00 23.12 C ATOM 1366 C ALA A 84 2.359 -1.641 8.278 1.00 4.11 C ATOM 1367 O ALA A 84 3.524 -1.805 7.906 1.00 65.32 O ATOM 1368 CB ALA A 84 1.592 -3.910 9.038 1.00 34.21 C ATOM 0 H ALA A 84 2.095 -3.794 6.439 1.00 74.35 H new ATOM 0 HA ALA A 84 0.333 -2.329 8.323 1.00 23.12 H new ATOM 0 HB1 ALA A 84 1.606 -3.546 10.065 1.00 34.21 H new ATOM 0 HB2 ALA A 84 0.812 -4.663 8.931 1.00 34.21 H new ATOM 0 HB3 ALA A 84 2.559 -4.352 8.796 1.00 34.21 H new ATOM 1374 N ALA A 85 1.945 -0.514 8.857 1.00 34.31 N ATOM 1375 CA ALA A 85 2.853 0.620 9.073 1.00 40.35 C ATOM 1376 C ALA A 85 2.624 1.291 10.436 1.00 0.04 C ATOM 1377 O ALA A 85 1.600 1.082 11.083 1.00 51.05 O ATOM 1378 CB ALA A 85 2.694 1.639 7.950 1.00 2.34 C ATOM 0 H ALA A 85 0.992 -0.359 9.185 1.00 34.31 H new ATOM 0 HA ALA A 85 3.871 0.231 9.069 1.00 40.35 H new ATOM 0 HB1 ALA A 85 3.372 2.476 8.119 1.00 2.34 H new ATOM 0 HB2 ALA A 85 2.930 1.168 6.996 1.00 2.34 H new ATOM 0 HB3 ALA A 85 1.666 2.002 7.931 1.00 2.34 H new ATOM 1384 N ARG A 86 3.595 2.098 10.862 1.00 31.12 N ATOM 1385 CA ARG A 86 3.511 2.845 12.125 1.00 22.31 C ATOM 1386 C ARG A 86 3.912 4.315 11.905 1.00 25.34 C ATOM 1387 O ARG A 86 4.733 4.618 11.035 1.00 51.34 O ATOM 1388 CB ARG A 86 4.424 2.209 13.187 1.00 32.34 C ATOM 1389 CG ARG A 86 4.130 0.734 13.465 1.00 35.14 C ATOM 1390 CD ARG A 86 5.019 0.173 14.570 1.00 22.11 C ATOM 1391 NE ARG A 86 4.713 0.758 15.874 1.00 31.43 N ATOM 1392 CZ ARG A 86 5.568 0.875 16.853 1.00 11.44 C ATOM 1393 NH1 ARG A 86 6.807 0.527 16.698 1.00 41.44 N ATOM 1394 NH2 ARG A 86 5.182 1.343 17.990 1.00 14.23 N ATOM 0 H ARG A 86 4.461 2.255 10.346 1.00 31.12 H new ATOM 0 HA ARG A 86 2.480 2.808 12.478 1.00 22.31 H new ATOM 0 HB2 ARG A 86 5.461 2.307 12.864 1.00 32.34 H new ATOM 0 HB3 ARG A 86 4.326 2.769 14.117 1.00 32.34 H new ATOM 0 HG2 ARG A 86 3.084 0.620 13.748 1.00 35.14 H new ATOM 0 HG3 ARG A 86 4.278 0.157 12.552 1.00 35.14 H new ATOM 0 HD2 ARG A 86 4.894 -0.909 14.620 1.00 22.11 H new ATOM 0 HD3 ARG A 86 6.064 0.362 14.325 1.00 22.11 H new ATOM 0 HE ARG A 86 3.764 1.099 16.030 1.00 31.43 H new ATOM 0 HH11 ARG A 86 7.124 0.156 15.802 1.00 41.44 H new ATOM 0 HH12 ARG A 86 7.465 0.624 17.472 1.00 41.44 H new ATOM 0 HH21 ARG A 86 4.210 1.621 18.123 1.00 14.23 H new ATOM 0 HH22 ARG A 86 5.849 1.435 18.756 1.00 14.23 H new ATOM 1408 N LEU A 87 3.349 5.221 12.701 1.00 43.12 N ATOM 1409 CA LEU A 87 3.594 6.660 12.529 1.00 32.55 C ATOM 1410 C LEU A 87 4.312 7.248 13.763 1.00 14.35 C ATOM 1411 O LEU A 87 3.747 7.319 14.860 1.00 51.34 O ATOM 1412 CB LEU A 87 2.254 7.369 12.259 1.00 1.04 C ATOM 1413 CG LEU A 87 2.332 8.692 11.470 1.00 74.33 C ATOM 1414 CD1 LEU A 87 0.956 9.059 10.917 1.00 4.24 C ATOM 1415 CD2 LEU A 87 2.881 9.828 12.336 1.00 73.43 C ATOM 0 H LEU A 87 2.721 4.990 13.471 1.00 43.12 H new ATOM 0 HA LEU A 87 4.253 6.819 11.675 1.00 32.55 H new ATOM 0 HB2 LEU A 87 1.607 6.682 11.714 1.00 1.04 H new ATOM 0 HB3 LEU A 87 1.773 7.569 13.216 1.00 1.04 H new ATOM 0 HG LEU A 87 3.021 8.547 10.638 1.00 74.33 H new ATOM 0 HD11 LEU A 87 1.025 9.995 10.362 1.00 4.24 H new ATOM 0 HD12 LEU A 87 0.608 8.268 10.253 1.00 4.24 H new ATOM 0 HD13 LEU A 87 0.252 9.177 11.741 1.00 4.24 H new ATOM 0 HD21 LEU A 87 2.923 10.745 11.749 1.00 73.43 H new ATOM 0 HD22 LEU A 87 2.229 9.977 13.197 1.00 73.43 H new ATOM 0 HD23 LEU A 87 3.883 9.572 12.680 1.00 73.43 H new ATOM 1427 N LEU A 88 5.566 7.664 13.571 1.00 35.41 N ATOM 1428 CA LEU A 88 6.421 8.113 14.680 1.00 63.35 C ATOM 1429 C LEU A 88 6.833 9.593 14.543 1.00 33.04 C ATOM 1430 O LEU A 88 6.542 10.254 13.546 1.00 73.23 O ATOM 1431 CB LEU A 88 7.692 7.241 14.766 1.00 65.42 C ATOM 1432 CG LEU A 88 7.476 5.729 15.015 1.00 4.53 C ATOM 1433 CD1 LEU A 88 6.950 5.022 13.767 1.00 62.41 C ATOM 1434 CD2 LEU A 88 8.769 5.072 15.495 1.00 73.22 C ATOM 0 H LEU A 88 6.016 7.700 12.656 1.00 35.41 H new ATOM 0 HA LEU A 88 5.832 8.010 15.591 1.00 63.35 H new ATOM 0 HB2 LEU A 88 8.249 7.358 13.837 1.00 65.42 H new ATOM 0 HB3 LEU A 88 8.321 7.632 15.566 1.00 65.42 H new ATOM 0 HG LEU A 88 6.721 5.630 15.795 1.00 4.53 H new ATOM 0 HD11 LEU A 88 6.811 3.962 13.981 1.00 62.41 H new ATOM 0 HD12 LEU A 88 5.996 5.462 13.475 1.00 62.41 H new ATOM 0 HD13 LEU A 88 7.667 5.137 12.954 1.00 62.41 H new ATOM 0 HD21 LEU A 88 8.596 4.009 15.664 1.00 73.22 H new ATOM 0 HD22 LEU A 88 9.544 5.198 14.738 1.00 73.22 H new ATOM 0 HD23 LEU A 88 9.091 5.540 16.425 1.00 73.22 H new ATOM 1446 N ASP A 89 7.518 10.094 15.569 1.00 22.22 N ATOM 1447 CA ASP A 89 8.072 11.454 15.581 1.00 51.31 C ATOM 1448 C ASP A 89 9.450 11.493 14.890 1.00 63.42 C ATOM 1449 O ASP A 89 10.076 10.452 14.686 1.00 34.31 O ATOM 1450 CB ASP A 89 8.183 11.936 17.039 1.00 63.34 C ATOM 1451 CG ASP A 89 8.929 13.253 17.180 1.00 65.44 C ATOM 1452 OD1 ASP A 89 8.314 14.319 16.976 1.00 54.11 O ATOM 1453 OD2 ASP A 89 10.139 13.221 17.480 1.00 3.34 O ATOM 0 H ASP A 89 7.708 9.568 16.422 1.00 22.22 H new ATOM 0 HA ASP A 89 7.408 12.117 15.027 1.00 51.31 H new ATOM 0 HB2 ASP A 89 7.182 12.047 17.455 1.00 63.34 H new ATOM 0 HB3 ASP A 89 8.691 11.173 17.629 1.00 63.34 H new ATOM 1458 N ALA A 90 9.922 12.697 14.551 1.00 52.24 N ATOM 1459 CA ALA A 90 11.226 12.882 13.886 1.00 22.51 C ATOM 1460 C ALA A 90 12.387 12.187 14.629 1.00 53.13 C ATOM 1461 O ALA A 90 13.440 11.921 14.048 1.00 24.41 O ATOM 1462 CB ALA A 90 11.526 14.368 13.743 1.00 53.32 C ATOM 0 H ALA A 90 9.420 13.567 14.726 1.00 52.24 H new ATOM 0 HA ALA A 90 11.150 12.413 12.905 1.00 22.51 H new ATOM 0 HB1 ALA A 90 12.490 14.499 13.251 1.00 53.32 H new ATOM 0 HB2 ALA A 90 10.747 14.841 13.145 1.00 53.32 H new ATOM 0 HB3 ALA A 90 11.556 14.830 14.730 1.00 53.32 H new ATOM 1468 N HIS A 91 12.199 11.907 15.916 1.00 15.34 N ATOM 1469 CA HIS A 91 13.221 11.225 16.719 1.00 13.03 C ATOM 1470 C HIS A 91 12.897 9.730 16.914 1.00 12.22 C ATOM 1471 O HIS A 91 13.352 9.112 17.874 1.00 42.52 O ATOM 1472 CB HIS A 91 13.361 11.928 18.076 1.00 34.34 C ATOM 1473 CG HIS A 91 13.799 13.355 17.950 1.00 33.03 C ATOM 1474 ND1 HIS A 91 15.120 13.728 17.808 1.00 11.20 N ATOM 1475 CD2 HIS A 91 13.085 14.507 17.923 1.00 54.24 C ATOM 1476 CE1 HIS A 91 15.198 15.038 17.698 1.00 71.21 C ATOM 1477 NE2 HIS A 91 13.980 15.534 17.764 1.00 45.35 N ATOM 0 H HIS A 91 11.349 12.140 16.429 1.00 15.34 H new ATOM 0 HA HIS A 91 14.167 11.279 16.181 1.00 13.03 H new ATOM 0 HB2 HIS A 91 12.405 11.891 18.599 1.00 34.34 H new ATOM 0 HB3 HIS A 91 14.081 11.385 18.689 1.00 34.34 H new ATOM 0 HD2 HIS A 91 12.012 14.599 18.010 1.00 54.24 H new ATOM 0 HE1 HIS A 91 16.107 15.609 17.575 1.00 71.21 H new ATOM 0 HE2 HIS A 91 13.740 16.524 17.706 1.00 45.35 H new ATOM 1486 N ASN A 92 12.122 9.159 15.984 1.00 52.55 N ATOM 1487 CA ASN A 92 11.757 7.728 16.018 1.00 72.11 C ATOM 1488 C ASN A 92 10.959 7.354 17.283 1.00 25.24 C ATOM 1489 O ASN A 92 10.919 6.190 17.689 1.00 1.43 O ATOM 1490 CB ASN A 92 13.012 6.849 15.890 1.00 3.23 C ATOM 1491 CG ASN A 92 13.621 6.909 14.499 1.00 60.14 C ATOM 1492 OD1 ASN A 92 13.324 6.087 13.638 1.00 35.41 O ATOM 1493 ND2 ASN A 92 14.474 7.882 14.263 1.00 73.11 N ATOM 0 H ASN A 92 11.730 9.667 15.191 1.00 52.55 H new ATOM 0 HA ASN A 92 11.105 7.543 15.164 1.00 72.11 H new ATOM 0 HB2 ASN A 92 13.753 7.169 16.622 1.00 3.23 H new ATOM 0 HB3 ASN A 92 12.755 5.817 16.127 1.00 3.23 H new ATOM 0 HD21 ASN A 92 14.908 7.968 13.344 1.00 73.11 H new ATOM 0 HD22 ASN A 92 14.701 8.551 14.999 1.00 73.11 H new ATOM 1500 N ALA A 93 10.312 8.342 17.891 1.00 70.14 N ATOM 1501 CA ALA A 93 9.443 8.105 19.046 1.00 41.34 C ATOM 1502 C ALA A 93 8.018 7.761 18.592 1.00 14.22 C ATOM 1503 O ALA A 93 7.384 8.543 17.888 1.00 60.53 O ATOM 1504 CB ALA A 93 9.434 9.330 19.956 1.00 5.41 C ATOM 0 H ALA A 93 10.371 9.319 17.605 1.00 70.14 H new ATOM 0 HA ALA A 93 9.834 7.256 19.606 1.00 41.34 H new ATOM 0 HB1 ALA A 93 8.785 9.143 20.811 1.00 5.41 H new ATOM 0 HB2 ALA A 93 10.447 9.531 20.306 1.00 5.41 H new ATOM 0 HB3 ALA A 93 9.064 10.192 19.402 1.00 5.41 H new ATOM 1510 N GLU A 94 7.520 6.586 18.974 1.00 73.34 N ATOM 1511 CA GLU A 94 6.163 6.174 18.598 1.00 4.22 C ATOM 1512 C GLU A 94 5.088 7.024 19.304 1.00 64.02 C ATOM 1513 O GLU A 94 5.053 7.118 20.532 1.00 62.10 O ATOM 1514 CB GLU A 94 5.942 4.679 18.892 1.00 11.30 C ATOM 1515 CG GLU A 94 6.076 4.292 20.364 1.00 33.34 C ATOM 1516 CD GLU A 94 5.752 2.828 20.619 1.00 23.31 C ATOM 1517 OE1 GLU A 94 6.636 1.971 20.398 1.00 63.53 O ATOM 1518 OE2 GLU A 94 4.610 2.523 21.029 1.00 63.41 O ATOM 0 H GLU A 94 8.028 5.906 19.539 1.00 73.34 H new ATOM 0 HA GLU A 94 6.063 6.339 17.525 1.00 4.22 H new ATOM 0 HB2 GLU A 94 4.948 4.397 18.545 1.00 11.30 H new ATOM 0 HB3 GLU A 94 6.658 4.098 18.311 1.00 11.30 H new ATOM 0 HG2 GLU A 94 7.093 4.498 20.698 1.00 33.34 H new ATOM 0 HG3 GLU A 94 5.411 4.916 20.961 1.00 33.34 H new ATOM 1525 N LEU A 95 4.233 7.673 18.510 1.00 63.33 N ATOM 1526 CA LEU A 95 3.106 8.459 19.044 1.00 3.41 C ATOM 1527 C LEU A 95 1.757 7.973 18.480 1.00 12.13 C ATOM 1528 O LEU A 95 0.811 7.728 19.233 1.00 65.32 O ATOM 1529 CB LEU A 95 3.277 9.966 18.742 1.00 71.14 C ATOM 1530 CG LEU A 95 4.169 10.766 19.717 1.00 43.44 C ATOM 1531 CD1 LEU A 95 3.712 10.565 21.159 1.00 43.20 C ATOM 1532 CD2 LEU A 95 5.640 10.404 19.556 1.00 41.04 C ATOM 0 H LEU A 95 4.296 7.673 17.492 1.00 63.33 H new ATOM 0 HA LEU A 95 3.106 8.312 20.124 1.00 3.41 H new ATOM 0 HB2 LEU A 95 3.691 10.068 17.739 1.00 71.14 H new ATOM 0 HB3 LEU A 95 2.289 10.426 18.728 1.00 71.14 H new ATOM 0 HG LEU A 95 4.063 11.822 19.469 1.00 43.44 H new ATOM 0 HD11 LEU A 95 4.355 11.138 21.828 1.00 43.20 H new ATOM 0 HD12 LEU A 95 2.682 10.906 21.265 1.00 43.20 H new ATOM 0 HD13 LEU A 95 3.772 9.507 21.416 1.00 43.20 H new ATOM 0 HD21 LEU A 95 6.237 10.986 20.258 1.00 41.04 H new ATOM 0 HD22 LEU A 95 5.777 9.342 19.757 1.00 41.04 H new ATOM 0 HD23 LEU A 95 5.960 10.625 18.538 1.00 41.04 H new ATOM 1544 N ALA A 96 1.668 7.840 17.155 1.00 12.32 N ATOM 1545 CA ALA A 96 0.407 7.476 16.499 1.00 70.33 C ATOM 1546 C ALA A 96 0.394 6.010 16.037 1.00 34.35 C ATOM 1547 O ALA A 96 1.281 5.559 15.307 1.00 52.14 O ATOM 1548 CB ALA A 96 0.146 8.407 15.320 1.00 11.44 C ATOM 0 H ALA A 96 2.451 7.978 16.515 1.00 12.32 H new ATOM 0 HA ALA A 96 -0.390 7.587 17.234 1.00 70.33 H new ATOM 0 HB1 ALA A 96 -0.792 8.130 14.838 1.00 11.44 H new ATOM 0 HB2 ALA A 96 0.082 9.435 15.676 1.00 11.44 H new ATOM 0 HB3 ALA A 96 0.962 8.322 14.602 1.00 11.44 H new ATOM 1554 N SER A 97 -0.621 5.268 16.475 1.00 64.21 N ATOM 1555 CA SER A 97 -0.821 3.879 16.042 1.00 74.11 C ATOM 1556 C SER A 97 -1.641 3.829 14.744 1.00 23.25 C ATOM 1557 O SER A 97 -2.832 4.148 14.735 1.00 41.05 O ATOM 1558 CB SER A 97 -1.529 3.068 17.142 1.00 21.13 C ATOM 1559 OG SER A 97 -2.768 3.664 17.510 1.00 32.42 O ATOM 0 H SER A 97 -1.324 5.604 17.133 1.00 64.21 H new ATOM 0 HA SER A 97 0.158 3.438 15.854 1.00 74.11 H new ATOM 0 HB2 SER A 97 -1.703 2.051 16.791 1.00 21.13 H new ATOM 0 HB3 SER A 97 -0.883 2.998 18.017 1.00 21.13 H new ATOM 0 HG SER A 97 -3.160 4.110 16.731 1.00 32.42 H new ATOM 1565 N LEU A 98 -0.995 3.437 13.649 1.00 13.44 N ATOM 1566 CA LEU A 98 -1.645 3.383 12.332 1.00 51.33 C ATOM 1567 C LEU A 98 -2.234 1.980 12.067 1.00 43.12 C ATOM 1568 O LEU A 98 -1.777 0.989 12.636 1.00 61.04 O ATOM 1569 CB LEU A 98 -0.632 3.778 11.239 1.00 23.52 C ATOM 1570 CG LEU A 98 -1.206 3.975 9.824 1.00 35.14 C ATOM 1571 CD1 LEU A 98 -2.344 4.996 9.839 1.00 72.00 C ATOM 1572 CD2 LEU A 98 -0.103 4.415 8.859 1.00 71.13 C ATOM 0 H LEU A 98 -0.016 3.150 13.643 1.00 13.44 H new ATOM 0 HA LEU A 98 -2.472 4.092 12.314 1.00 51.33 H new ATOM 0 HB2 LEU A 98 -0.143 4.703 11.543 1.00 23.52 H new ATOM 0 HB3 LEU A 98 0.140 3.010 11.192 1.00 23.52 H new ATOM 0 HG LEU A 98 -1.608 3.022 9.481 1.00 35.14 H new ATOM 0 HD11 LEU A 98 -2.735 5.120 8.829 1.00 72.00 H new ATOM 0 HD12 LEU A 98 -3.140 4.644 10.496 1.00 72.00 H new ATOM 0 HD13 LEU A 98 -1.970 5.953 10.203 1.00 72.00 H new ATOM 0 HD21 LEU A 98 -0.524 4.550 7.863 1.00 71.13 H new ATOM 0 HD22 LEU A 98 0.327 5.356 9.202 1.00 71.13 H new ATOM 0 HD23 LEU A 98 0.675 3.652 8.824 1.00 71.13 H new ATOM 1584 N GLN A 99 -3.254 1.907 11.209 1.00 30.04 N ATOM 1585 CA GLN A 99 -3.977 0.647 10.956 1.00 5.34 C ATOM 1586 C GLN A 99 -3.260 -0.248 9.932 1.00 11.51 C ATOM 1587 O GLN A 99 -2.313 0.171 9.263 1.00 33.25 O ATOM 1588 CB GLN A 99 -5.410 0.934 10.465 1.00 71.34 C ATOM 1589 CG GLN A 99 -6.288 1.670 11.478 1.00 23.41 C ATOM 1590 CD GLN A 99 -5.889 3.124 11.695 1.00 32.21 C ATOM 1591 OE1 GLN A 99 -5.410 3.783 10.654 1.00 2.24 O flip ATOM 1592 NE2 GLN A 99 -6.031 3.662 12.786 1.00 44.34 N flip ATOM 0 H GLN A 99 -3.602 2.703 10.675 1.00 30.04 H new ATOM 0 HA GLN A 99 -4.009 0.112 11.905 1.00 5.34 H new ATOM 0 HB2 GLN A 99 -5.356 1.526 9.551 1.00 71.34 H new ATOM 0 HB3 GLN A 99 -5.888 -0.010 10.206 1.00 71.34 H new ATOM 0 HG2 GLN A 99 -7.324 1.634 11.141 1.00 23.41 H new ATOM 0 HG3 GLN A 99 -6.244 1.145 12.432 1.00 23.41 H new ATOM 0 HE21 GLN A 99 -6.403 3.130 13.573 1.00 44.34 H new ATOM 0 HE22 GLN A 99 -5.777 4.642 12.908 1.00 44.34 H new ATOM 1601 N GLU A 100 -3.736 -1.488 9.813 1.00 32.32 N ATOM 1602 CA GLU A 100 -3.197 -2.440 8.836 1.00 25.51 C ATOM 1603 C GLU A 100 -4.046 -2.447 7.549 1.00 54.33 C ATOM 1604 O GLU A 100 -5.215 -2.843 7.549 1.00 44.43 O ATOM 1605 CB GLU A 100 -3.104 -3.864 9.435 1.00 4.52 C ATOM 1606 CG GLU A 100 -4.440 -4.500 9.840 1.00 21.45 C ATOM 1607 CD GLU A 100 -5.065 -3.879 11.083 1.00 3.23 C ATOM 1608 OE1 GLU A 100 -4.703 -4.290 12.205 1.00 53.42 O ATOM 1609 OE2 GLU A 100 -5.925 -2.981 10.948 1.00 2.11 O ATOM 0 H GLU A 100 -4.496 -1.859 10.382 1.00 32.32 H new ATOM 0 HA GLU A 100 -2.188 -2.116 8.579 1.00 25.51 H new ATOM 0 HB2 GLU A 100 -2.618 -4.514 8.707 1.00 4.52 H new ATOM 0 HB3 GLU A 100 -2.458 -3.829 10.312 1.00 4.52 H new ATOM 0 HG2 GLU A 100 -5.140 -4.411 9.010 1.00 21.45 H new ATOM 0 HG3 GLU A 100 -4.287 -5.565 10.015 1.00 21.45 H new ATOM 1616 N ILE A 101 -3.455 -1.991 6.451 1.00 34.31 N ATOM 1617 CA ILE A 101 -4.168 -1.895 5.176 1.00 52.33 C ATOM 1618 C ILE A 101 -4.353 -3.280 4.534 1.00 14.11 C ATOM 1619 O ILE A 101 -3.513 -3.747 3.764 1.00 71.33 O ATOM 1620 CB ILE A 101 -3.434 -0.952 4.191 1.00 44.43 C ATOM 1621 CG1 ILE A 101 -3.161 0.405 4.861 1.00 34.10 C ATOM 1622 CG2 ILE A 101 -4.250 -0.763 2.909 1.00 44.34 C ATOM 1623 CD1 ILE A 101 -2.379 1.368 3.995 1.00 50.30 C ATOM 0 H ILE A 101 -2.484 -1.681 6.414 1.00 34.31 H new ATOM 0 HA ILE A 101 -5.152 -1.477 5.390 1.00 52.33 H new ATOM 0 HB ILE A 101 -2.481 -1.408 3.922 1.00 44.43 H new ATOM 0 HG12 ILE A 101 -4.112 0.864 5.131 1.00 34.10 H new ATOM 0 HG13 ILE A 101 -2.613 0.238 5.788 1.00 34.10 H new ATOM 0 HG21 ILE A 101 -3.715 -0.097 2.232 1.00 44.34 H new ATOM 0 HG22 ILE A 101 -4.398 -1.729 2.426 1.00 44.34 H new ATOM 0 HG23 ILE A 101 -5.219 -0.328 3.155 1.00 44.34 H new ATOM 0 HD11 ILE A 101 -2.226 2.302 4.536 1.00 50.30 H new ATOM 0 HD12 ILE A 101 -1.412 0.931 3.746 1.00 50.30 H new ATOM 0 HD13 ILE A 101 -2.934 1.566 3.078 1.00 50.30 H new ATOM 1635 N ARG A 102 -5.446 -3.947 4.897 1.00 4.52 N ATOM 1636 CA ARG A 102 -5.777 -5.264 4.346 1.00 2.13 C ATOM 1637 C ARG A 102 -6.653 -5.147 3.081 1.00 15.33 C ATOM 1638 O ARG A 102 -7.879 -5.043 3.157 1.00 51.12 O ATOM 1639 CB ARG A 102 -6.469 -6.127 5.420 1.00 34.02 C ATOM 1640 CG ARG A 102 -7.669 -5.453 6.090 1.00 34.42 C ATOM 1641 CD ARG A 102 -8.272 -6.322 7.193 1.00 3.20 C ATOM 1642 NE ARG A 102 -9.438 -5.693 7.807 1.00 55.04 N ATOM 1643 CZ ARG A 102 -10.005 -6.111 8.906 1.00 54.13 C ATOM 1644 NH1 ARG A 102 -9.529 -7.123 9.559 1.00 11.43 N ATOM 1645 NH2 ARG A 102 -11.047 -5.500 9.356 1.00 4.24 N ATOM 0 H ARG A 102 -6.123 -3.596 5.575 1.00 4.52 H new ATOM 0 HA ARG A 102 -4.848 -5.751 4.049 1.00 2.13 H new ATOM 0 HB2 ARG A 102 -6.799 -7.060 4.963 1.00 34.02 H new ATOM 0 HB3 ARG A 102 -5.739 -6.388 6.186 1.00 34.02 H new ATOM 0 HG2 ARG A 102 -7.359 -4.496 6.511 1.00 34.42 H new ATOM 0 HG3 ARG A 102 -8.430 -5.240 5.340 1.00 34.42 H new ATOM 0 HD2 ARG A 102 -8.558 -7.289 6.778 1.00 3.20 H new ATOM 0 HD3 ARG A 102 -7.518 -6.513 7.957 1.00 3.20 H new ATOM 0 HE ARG A 102 -9.835 -4.874 7.347 1.00 55.04 H new ATOM 0 HH11 ARG A 102 -8.699 -7.606 9.216 1.00 11.43 H new ATOM 0 HH12 ARG A 102 -9.984 -7.437 10.416 1.00 11.43 H new ATOM 0 HH21 ARG A 102 -11.423 -4.696 8.854 1.00 4.24 H new ATOM 0 HH22 ARG A 102 -11.495 -5.821 10.214 1.00 4.24 H new ATOM 1659 N LEU A 103 -6.007 -5.153 1.917 1.00 63.24 N ATOM 1660 CA LEU A 103 -6.709 -5.030 0.632 1.00 11.40 C ATOM 1661 C LEU A 103 -6.924 -6.398 -0.034 1.00 63.43 C ATOM 1662 O LEU A 103 -5.979 -7.029 -0.501 1.00 12.24 O ATOM 1663 CB LEU A 103 -5.918 -4.113 -0.311 1.00 23.40 C ATOM 1664 CG LEU A 103 -5.710 -2.677 0.192 1.00 54.44 C ATOM 1665 CD1 LEU A 103 -4.882 -1.872 -0.805 1.00 63.24 C ATOM 1666 CD2 LEU A 103 -7.051 -1.992 0.456 1.00 41.12 C ATOM 0 H LEU A 103 -4.994 -5.242 1.833 1.00 63.24 H new ATOM 0 HA LEU A 103 -7.689 -4.597 0.831 1.00 11.40 H new ATOM 0 HB2 LEU A 103 -4.941 -4.562 -0.493 1.00 23.40 H new ATOM 0 HB3 LEU A 103 -6.434 -4.073 -1.270 1.00 23.40 H new ATOM 0 HG LEU A 103 -5.163 -2.724 1.133 1.00 54.44 H new ATOM 0 HD11 LEU A 103 -4.746 -0.858 -0.430 1.00 63.24 H new ATOM 0 HD12 LEU A 103 -3.908 -2.344 -0.935 1.00 63.24 H new ATOM 0 HD13 LEU A 103 -5.399 -1.838 -1.764 1.00 63.24 H new ATOM 0 HD21 LEU A 103 -6.877 -0.976 0.811 1.00 41.12 H new ATOM 0 HD22 LEU A 103 -7.631 -1.959 -0.466 1.00 41.12 H new ATOM 0 HD23 LEU A 103 -7.603 -2.551 1.212 1.00 41.12 H new ATOM 1678 N THR A 104 -8.172 -6.855 -0.070 1.00 42.03 N ATOM 1679 CA THR A 104 -8.519 -8.118 -0.739 1.00 13.20 C ATOM 1680 C THR A 104 -9.141 -7.878 -2.116 1.00 63.21 C ATOM 1681 O THR A 104 -10.279 -7.417 -2.228 1.00 61.43 O ATOM 1682 CB THR A 104 -9.497 -8.971 0.103 1.00 5.03 C ATOM 1683 OG1 THR A 104 -10.655 -8.197 0.461 1.00 10.14 O ATOM 1684 CG2 THR A 104 -8.811 -9.490 1.360 1.00 43.12 C ATOM 0 H THR A 104 -8.965 -6.374 0.355 1.00 42.03 H new ATOM 0 HA THR A 104 -7.581 -8.661 -0.855 1.00 13.20 H new ATOM 0 HB THR A 104 -9.812 -9.823 -0.500 1.00 5.03 H new ATOM 0 HG1 THR A 104 -10.978 -7.709 -0.325 1.00 10.14 H new ATOM 0 HG21 THR A 104 -9.515 -10.088 1.939 1.00 43.12 H new ATOM 0 HG22 THR A 104 -7.957 -10.106 1.080 1.00 43.12 H new ATOM 0 HG23 THR A 104 -8.469 -8.648 1.962 1.00 43.12 H new ATOM 1692 N ARG A 105 -8.379 -8.176 -3.162 1.00 35.32 N ATOM 1693 CA ARG A 105 -8.866 -8.075 -4.543 1.00 63.45 C ATOM 1694 C ARG A 105 -9.355 -9.442 -5.047 1.00 30.14 C ATOM 1695 O ARG A 105 -8.602 -10.414 -5.064 1.00 44.25 O ATOM 1696 CB ARG A 105 -7.759 -7.537 -5.476 1.00 64.44 C ATOM 1697 CG ARG A 105 -7.727 -6.013 -5.625 1.00 73.23 C ATOM 1698 CD ARG A 105 -7.533 -5.291 -4.295 1.00 72.23 C ATOM 1699 NE ARG A 105 -7.376 -3.846 -4.483 1.00 44.40 N ATOM 1700 CZ ARG A 105 -7.644 -2.946 -3.576 1.00 63.32 C ATOM 1701 NH1 ARG A 105 -8.194 -3.279 -2.451 1.00 23.34 N ATOM 1702 NH2 ARG A 105 -7.398 -1.700 -3.819 1.00 63.21 N ATOM 0 H ARG A 105 -7.413 -8.493 -3.084 1.00 35.32 H new ATOM 0 HA ARG A 105 -9.703 -7.376 -4.553 1.00 63.45 H new ATOM 0 HB2 ARG A 105 -6.792 -7.871 -5.099 1.00 64.44 H new ATOM 0 HB3 ARG A 105 -7.888 -7.982 -6.463 1.00 64.44 H new ATOM 0 HG2 ARG A 105 -6.921 -5.736 -6.304 1.00 73.23 H new ATOM 0 HG3 ARG A 105 -8.658 -5.678 -6.082 1.00 73.23 H new ATOM 0 HD2 ARG A 105 -8.389 -5.483 -3.648 1.00 72.23 H new ATOM 0 HD3 ARG A 105 -6.654 -5.690 -3.789 1.00 72.23 H new ATOM 0 HE ARG A 105 -7.033 -3.520 -5.387 1.00 44.40 H new ATOM 0 HH11 ARG A 105 -8.423 -4.255 -2.265 1.00 23.34 H new ATOM 0 HH12 ARG A 105 -8.398 -2.565 -1.752 1.00 23.34 H new ATOM 0 HH21 ARG A 105 -6.997 -1.425 -4.715 1.00 63.21 H new ATOM 0 HH22 ARG A 105 -7.605 -0.992 -3.114 1.00 63.21 H new ATOM 1716 N ILE A 106 -10.621 -9.515 -5.444 1.00 72.22 N ATOM 1717 CA ILE A 106 -11.184 -10.752 -5.992 1.00 72.21 C ATOM 1718 C ILE A 106 -10.856 -10.872 -7.488 1.00 22.22 C ATOM 1719 O ILE A 106 -11.399 -10.141 -8.320 1.00 24.13 O ATOM 1720 CB ILE A 106 -12.725 -10.834 -5.767 1.00 54.25 C ATOM 1721 CG1 ILE A 106 -13.056 -11.147 -4.290 1.00 12.14 C ATOM 1722 CG2 ILE A 106 -13.356 -11.888 -6.681 1.00 3.30 C ATOM 1723 CD1 ILE A 106 -12.517 -10.144 -3.293 1.00 31.25 C ATOM 0 H ILE A 106 -11.278 -8.736 -5.398 1.00 72.22 H new ATOM 0 HA ILE A 106 -10.727 -11.586 -5.459 1.00 72.21 H new ATOM 0 HB ILE A 106 -13.146 -9.860 -6.016 1.00 54.25 H new ATOM 0 HG12 ILE A 106 -14.139 -11.203 -4.179 1.00 12.14 H new ATOM 0 HG13 ILE A 106 -12.659 -12.132 -4.044 1.00 12.14 H new ATOM 0 HG21 ILE A 106 -14.431 -11.926 -6.505 1.00 3.30 H new ATOM 0 HG22 ILE A 106 -13.168 -11.626 -7.722 1.00 3.30 H new ATOM 0 HG23 ILE A 106 -12.919 -12.863 -6.467 1.00 3.30 H new ATOM 0 HD11 ILE A 106 -12.799 -10.446 -2.284 1.00 31.25 H new ATOM 0 HD12 ILE A 106 -11.430 -10.103 -3.369 1.00 31.25 H new ATOM 0 HD13 ILE A 106 -12.933 -9.159 -3.506 1.00 31.25 H new ATOM 1735 N LEU A 107 -9.943 -11.782 -7.808 1.00 71.42 N ATOM 1736 CA LEU A 107 -9.492 -11.999 -9.186 1.00 14.05 C ATOM 1737 C LEU A 107 -10.526 -12.823 -9.982 1.00 64.14 C ATOM 1738 O LEU A 107 -10.766 -13.991 -9.671 1.00 73.45 O ATOM 1739 CB LEU A 107 -8.119 -12.709 -9.154 1.00 4.14 C ATOM 1740 CG LEU A 107 -7.334 -12.800 -10.484 1.00 65.43 C ATOM 1741 CD1 LEU A 107 -7.890 -13.881 -11.405 1.00 62.51 C ATOM 1742 CD2 LEU A 107 -7.312 -11.453 -11.198 1.00 71.12 C ATOM 0 H LEU A 107 -9.493 -12.391 -7.125 1.00 71.42 H new ATOM 0 HA LEU A 107 -9.390 -11.039 -9.691 1.00 14.05 H new ATOM 0 HB2 LEU A 107 -7.491 -12.195 -8.426 1.00 4.14 H new ATOM 0 HB3 LEU A 107 -8.272 -13.722 -8.783 1.00 4.14 H new ATOM 0 HG LEU A 107 -6.311 -13.078 -10.231 1.00 65.43 H new ATOM 0 HD11 LEU A 107 -7.308 -13.909 -12.326 1.00 62.51 H new ATOM 0 HD12 LEU A 107 -7.829 -14.849 -10.908 1.00 62.51 H new ATOM 0 HD13 LEU A 107 -8.931 -13.659 -11.640 1.00 62.51 H new ATOM 0 HD21 LEU A 107 -6.754 -11.544 -12.130 1.00 71.12 H new ATOM 0 HD22 LEU A 107 -8.333 -11.140 -11.416 1.00 71.12 H new ATOM 0 HD23 LEU A 107 -6.833 -10.711 -10.560 1.00 71.12 H new ATOM 1754 N PRO A 108 -11.168 -12.215 -11.005 1.00 65.10 N ATOM 1755 CA PRO A 108 -12.103 -12.929 -11.893 1.00 45.45 C ATOM 1756 C PRO A 108 -11.369 -13.789 -12.934 1.00 11.10 C ATOM 1757 O PRO A 108 -10.260 -13.462 -13.355 1.00 63.42 O ATOM 1758 CB PRO A 108 -12.868 -11.787 -12.570 1.00 41.23 C ATOM 1759 CG PRO A 108 -11.881 -10.666 -12.625 1.00 14.13 C ATOM 1760 CD PRO A 108 -11.044 -10.788 -11.375 1.00 5.43 C ATOM 0 HA PRO A 108 -12.742 -13.628 -11.354 1.00 45.45 H new ATOM 0 HB2 PRO A 108 -13.205 -12.070 -13.567 1.00 41.23 H new ATOM 0 HB3 PRO A 108 -13.755 -11.509 -12.000 1.00 41.23 H new ATOM 0 HG2 PRO A 108 -11.261 -10.736 -13.518 1.00 14.13 H new ATOM 0 HG3 PRO A 108 -12.387 -9.702 -12.663 1.00 14.13 H new ATOM 0 HD2 PRO A 108 -10.006 -10.511 -11.560 1.00 5.43 H new ATOM 0 HD3 PRO A 108 -11.411 -10.136 -10.582 1.00 5.43 H new ATOM 1768 N PHE A 109 -11.986 -14.888 -13.356 1.00 14.24 N ATOM 1769 CA PHE A 109 -11.335 -15.816 -14.285 1.00 42.45 C ATOM 1770 C PHE A 109 -12.070 -15.946 -15.622 1.00 31.14 C ATOM 1771 O PHE A 109 -13.079 -16.643 -15.728 1.00 61.21 O ATOM 1772 CB PHE A 109 -11.187 -17.204 -13.647 1.00 12.31 C ATOM 1773 CG PHE A 109 -10.002 -17.316 -12.724 1.00 21.11 C ATOM 1774 CD1 PHE A 109 -8.753 -17.645 -13.229 1.00 40.22 C ATOM 1775 CD2 PHE A 109 -10.134 -17.086 -11.364 1.00 32.43 C ATOM 1776 CE1 PHE A 109 -7.658 -17.746 -12.394 1.00 1.23 C ATOM 1777 CE2 PHE A 109 -9.042 -17.186 -10.524 1.00 41.01 C ATOM 1778 CZ PHE A 109 -7.803 -17.516 -11.040 1.00 13.10 C ATOM 0 H PHE A 109 -12.928 -15.160 -13.075 1.00 14.24 H new ATOM 0 HA PHE A 109 -10.352 -15.393 -14.494 1.00 42.45 H new ATOM 0 HB2 PHE A 109 -12.095 -17.438 -13.091 1.00 12.31 H new ATOM 0 HB3 PHE A 109 -11.095 -17.950 -14.436 1.00 12.31 H new ATOM 0 HD1 PHE A 109 -8.635 -17.824 -14.288 1.00 40.22 H new ATOM 0 HD2 PHE A 109 -11.100 -16.826 -10.957 1.00 32.43 H new ATOM 0 HE1 PHE A 109 -6.691 -18.004 -12.799 1.00 1.23 H new ATOM 0 HE2 PHE A 109 -9.156 -17.007 -9.465 1.00 41.01 H new ATOM 0 HZ PHE A 109 -6.948 -17.594 -10.384 1.00 13.10 H new ATOM 1788 N LEU A 110 -11.561 -15.260 -16.643 1.00 71.01 N ATOM 1789 CA LEU A 110 -11.965 -15.536 -18.022 1.00 24.02 C ATOM 1790 C LEU A 110 -11.260 -16.802 -18.531 1.00 4.22 C ATOM 1791 O LEU A 110 -10.247 -17.225 -17.963 1.00 21.22 O ATOM 1792 CB LEU A 110 -11.626 -14.348 -18.939 1.00 54.12 C ATOM 1793 CG LEU A 110 -12.390 -13.046 -18.648 1.00 32.33 C ATOM 1794 CD1 LEU A 110 -11.940 -11.937 -19.597 1.00 41.13 C ATOM 1795 CD2 LEU A 110 -13.897 -13.271 -18.748 1.00 73.21 C ATOM 0 H LEU A 110 -10.873 -14.514 -16.544 1.00 71.01 H new ATOM 0 HA LEU A 110 -13.044 -15.690 -18.039 1.00 24.02 H new ATOM 0 HB2 LEU A 110 -10.558 -14.146 -18.863 1.00 54.12 H new ATOM 0 HB3 LEU A 110 -11.822 -14.641 -19.971 1.00 54.12 H new ATOM 0 HG LEU A 110 -12.163 -12.734 -17.629 1.00 32.33 H new ATOM 0 HD11 LEU A 110 -12.492 -11.023 -19.376 1.00 41.13 H new ATOM 0 HD12 LEU A 110 -10.873 -11.757 -19.467 1.00 41.13 H new ATOM 0 HD13 LEU A 110 -12.134 -12.238 -20.626 1.00 41.13 H new ATOM 0 HD21 LEU A 110 -14.419 -12.337 -18.539 1.00 73.21 H new ATOM 0 HD22 LEU A 110 -14.148 -13.610 -19.753 1.00 73.21 H new ATOM 0 HD23 LEU A 110 -14.201 -14.027 -18.024 1.00 73.21 H new ATOM 1807 N ASP A 111 -11.788 -17.399 -19.597 1.00 3.05 N ATOM 1808 CA ASP A 111 -11.176 -18.590 -20.198 1.00 20.53 C ATOM 1809 C ASP A 111 -9.758 -18.272 -20.727 1.00 41.51 C ATOM 1810 O ASP A 111 -9.333 -17.116 -20.712 1.00 35.43 O ATOM 1811 CB ASP A 111 -12.082 -19.122 -21.322 1.00 14.43 C ATOM 1812 CG ASP A 111 -11.580 -20.425 -21.921 1.00 31.23 C ATOM 1813 OD1 ASP A 111 -11.503 -21.431 -21.186 1.00 4.40 O ATOM 1814 OD2 ASP A 111 -11.235 -20.444 -23.122 1.00 0.41 O ATOM 0 H ASP A 111 -12.637 -17.081 -20.065 1.00 3.05 H new ATOM 0 HA ASP A 111 -11.074 -19.362 -19.435 1.00 20.53 H new ATOM 0 HB2 ASP A 111 -13.088 -19.272 -20.930 1.00 14.43 H new ATOM 0 HB3 ASP A 111 -12.155 -18.371 -22.109 1.00 14.43 H new ATOM 1819 N ALA A 112 -9.032 -19.300 -21.180 1.00 3.45 N ATOM 1820 CA ALA A 112 -7.645 -19.142 -21.654 1.00 13.15 C ATOM 1821 C ALA A 112 -7.474 -17.954 -22.624 1.00 60.33 C ATOM 1822 O ALA A 112 -7.677 -18.084 -23.832 1.00 74.42 O ATOM 1823 CB ALA A 112 -7.161 -20.433 -22.308 1.00 13.33 C ATOM 0 H ALA A 112 -9.381 -20.257 -21.230 1.00 3.45 H new ATOM 0 HA ALA A 112 -7.034 -18.924 -20.778 1.00 13.15 H new ATOM 0 HB1 ALA A 112 -6.135 -20.303 -22.654 1.00 13.33 H new ATOM 0 HB2 ALA A 112 -7.199 -21.245 -21.582 1.00 13.33 H new ATOM 0 HB3 ALA A 112 -7.802 -20.674 -23.156 1.00 13.33 H new ATOM 1829 N GLN A 113 -7.133 -16.793 -22.069 1.00 74.13 N ATOM 1830 CA GLN A 113 -6.830 -15.586 -22.850 1.00 61.15 C ATOM 1831 C GLN A 113 -5.405 -15.104 -22.544 1.00 42.33 C ATOM 1832 O GLN A 113 -5.150 -14.541 -21.479 1.00 24.52 O ATOM 1833 CB GLN A 113 -7.847 -14.476 -22.526 1.00 34.42 C ATOM 1834 CG GLN A 113 -9.238 -14.718 -23.104 1.00 64.41 C ATOM 1835 CD GLN A 113 -9.266 -14.647 -24.621 1.00 12.12 C ATOM 1836 OE1 GLN A 113 -8.491 -13.926 -25.238 1.00 41.25 O ATOM 1837 NE2 GLN A 113 -10.159 -15.389 -25.237 1.00 24.54 N ATOM 0 H GLN A 113 -7.058 -16.658 -21.061 1.00 74.13 H new ATOM 0 HA GLN A 113 -6.899 -15.826 -23.911 1.00 61.15 H new ATOM 0 HB2 GLN A 113 -7.927 -14.376 -21.444 1.00 34.42 H new ATOM 0 HB3 GLN A 113 -7.467 -13.528 -22.906 1.00 34.42 H new ATOM 0 HG2 GLN A 113 -9.594 -15.697 -22.784 1.00 64.41 H new ATOM 0 HG3 GLN A 113 -9.929 -13.979 -22.698 1.00 64.41 H new ATOM 0 HE21 GLN A 113 -10.791 -15.980 -24.697 1.00 24.54 H new ATOM 0 HE22 GLN A 113 -10.220 -15.374 -26.255 1.00 24.54 H new ATOM 1846 N GLU A 114 -4.489 -15.319 -23.482 1.00 22.24 N ATOM 1847 CA GLU A 114 -3.055 -15.097 -23.238 1.00 35.35 C ATOM 1848 C GLU A 114 -2.685 -13.605 -23.111 1.00 21.42 C ATOM 1849 O GLU A 114 -1.595 -13.271 -22.637 1.00 1.45 O ATOM 1850 CB GLU A 114 -2.224 -15.793 -24.331 1.00 11.15 C ATOM 1851 CG GLU A 114 -2.557 -15.359 -25.754 1.00 14.42 C ATOM 1852 CD GLU A 114 -1.882 -16.229 -26.803 1.00 21.52 C ATOM 1853 OE1 GLU A 114 -0.642 -16.185 -26.911 1.00 21.24 O ATOM 1854 OE2 GLU A 114 -2.588 -16.966 -27.527 1.00 10.53 O ATOM 0 H GLU A 114 -4.708 -15.648 -24.423 1.00 22.24 H new ATOM 0 HA GLU A 114 -2.818 -15.541 -22.271 1.00 35.35 H new ATOM 0 HB2 GLU A 114 -1.168 -15.600 -24.144 1.00 11.15 H new ATOM 0 HB3 GLU A 114 -2.371 -16.870 -24.250 1.00 11.15 H new ATOM 0 HG2 GLU A 114 -3.637 -15.395 -25.898 1.00 14.42 H new ATOM 0 HG3 GLU A 114 -2.251 -14.322 -25.895 1.00 14.42 H new ATOM 1861 N LEU A 115 -3.582 -12.710 -23.524 1.00 64.33 N ATOM 1862 CA LEU A 115 -3.378 -11.267 -23.316 1.00 70.42 C ATOM 1863 C LEU A 115 -4.226 -10.756 -22.138 1.00 44.50 C ATOM 1864 O LEU A 115 -3.730 -10.049 -21.258 1.00 51.14 O ATOM 1865 CB LEU A 115 -3.734 -10.454 -24.580 1.00 33.12 C ATOM 1866 CG LEU A 115 -2.932 -10.776 -25.855 1.00 50.11 C ATOM 1867 CD1 LEU A 115 -1.436 -10.877 -25.560 1.00 30.40 C ATOM 1868 CD2 LEU A 115 -3.454 -12.043 -26.525 1.00 25.21 C ATOM 0 H LEU A 115 -4.451 -12.950 -24.001 1.00 64.33 H new ATOM 0 HA LEU A 115 -2.320 -11.127 -23.093 1.00 70.42 H new ATOM 0 HB2 LEU A 115 -4.792 -10.605 -24.796 1.00 33.12 H new ATOM 0 HB3 LEU A 115 -3.603 -9.396 -24.353 1.00 33.12 H new ATOM 0 HG LEU A 115 -3.071 -9.951 -26.553 1.00 50.11 H new ATOM 0 HD11 LEU A 115 -0.898 -11.105 -26.480 1.00 30.40 H new ATOM 0 HD12 LEU A 115 -1.080 -9.929 -25.157 1.00 30.40 H new ATOM 0 HD13 LEU A 115 -1.261 -11.669 -24.832 1.00 30.40 H new ATOM 0 HD21 LEU A 115 -2.870 -12.247 -27.422 1.00 25.21 H new ATOM 0 HD22 LEU A 115 -3.365 -12.882 -25.835 1.00 25.21 H new ATOM 0 HD23 LEU A 115 -4.501 -11.906 -26.797 1.00 25.21 H new ATOM 1880 N ALA A 116 -5.505 -11.131 -22.129 1.00 52.22 N ATOM 1881 CA ALA A 116 -6.464 -10.629 -21.138 1.00 21.32 C ATOM 1882 C ALA A 116 -6.187 -11.142 -19.713 1.00 1.24 C ATOM 1883 O ALA A 116 -6.177 -10.359 -18.762 1.00 30.13 O ATOM 1884 CB ALA A 116 -7.884 -10.990 -21.560 1.00 33.22 C ATOM 0 H ALA A 116 -5.906 -11.785 -22.801 1.00 52.22 H new ATOM 0 HA ALA A 116 -6.348 -9.546 -21.107 1.00 21.32 H new ATOM 0 HB1 ALA A 116 -8.590 -10.614 -20.820 1.00 33.22 H new ATOM 0 HB2 ALA A 116 -8.101 -10.541 -22.529 1.00 33.22 H new ATOM 0 HB3 ALA A 116 -7.977 -12.074 -21.633 1.00 33.22 H new ATOM 1890 N LYS A 117 -5.960 -12.448 -19.561 1.00 0.02 N ATOM 1891 CA LYS A 117 -5.782 -13.044 -18.226 1.00 42.43 C ATOM 1892 C LYS A 117 -4.589 -12.436 -17.473 1.00 53.10 C ATOM 1893 O LYS A 117 -4.670 -12.179 -16.268 1.00 10.25 O ATOM 1894 CB LYS A 117 -5.634 -14.563 -18.320 1.00 54.30 C ATOM 1895 CG LYS A 117 -6.880 -15.257 -18.873 1.00 21.40 C ATOM 1896 CD LYS A 117 -7.026 -16.675 -18.332 1.00 2.11 C ATOM 1897 CE LYS A 117 -7.223 -16.669 -16.819 1.00 44.52 C ATOM 1898 NZ LYS A 117 -8.430 -15.896 -16.417 1.00 71.40 N ATOM 0 H LYS A 117 -5.895 -13.111 -20.333 1.00 0.02 H new ATOM 0 HA LYS A 117 -6.681 -12.813 -17.655 1.00 42.43 H new ATOM 0 HB2 LYS A 117 -4.782 -14.800 -18.957 1.00 54.30 H new ATOM 0 HB3 LYS A 117 -5.413 -14.962 -17.330 1.00 54.30 H new ATOM 0 HG2 LYS A 117 -7.765 -14.676 -18.613 1.00 21.40 H new ATOM 0 HG3 LYS A 117 -6.826 -15.287 -19.961 1.00 21.40 H new ATOM 0 HD2 LYS A 117 -7.875 -17.164 -18.810 1.00 2.11 H new ATOM 0 HD3 LYS A 117 -6.139 -17.257 -18.584 1.00 2.11 H new ATOM 0 HE2 LYS A 117 -7.313 -17.695 -16.461 1.00 44.52 H new ATOM 0 HE3 LYS A 117 -6.342 -16.241 -16.340 1.00 44.52 H new ATOM 0 HZ1 LYS A 117 -8.744 -16.207 -15.476 1.00 71.40 H new ATOM 0 HZ2 LYS A 117 -8.199 -14.882 -16.387 1.00 71.40 H new ATOM 0 HZ3 LYS A 117 -9.191 -16.058 -17.107 1.00 71.40 H new ATOM 1912 N ALA A 118 -3.484 -12.215 -18.181 1.00 0.40 N ATOM 1913 CA ALA A 118 -2.334 -11.511 -17.609 1.00 60.53 C ATOM 1914 C ALA A 118 -2.745 -10.124 -17.091 1.00 45.34 C ATOM 1915 O ALA A 118 -2.323 -9.696 -16.016 1.00 54.52 O ATOM 1916 CB ALA A 118 -1.217 -11.381 -18.640 1.00 55.41 C ATOM 0 H ALA A 118 -3.358 -12.511 -19.149 1.00 0.40 H new ATOM 0 HA ALA A 118 -1.964 -12.096 -16.767 1.00 60.53 H new ATOM 0 HB1 ALA A 118 -0.372 -10.855 -18.196 1.00 55.41 H new ATOM 0 HB2 ALA A 118 -0.900 -12.374 -18.960 1.00 55.41 H new ATOM 0 HB3 ALA A 118 -1.581 -10.821 -19.502 1.00 55.41 H new ATOM 1922 N ALA A 119 -3.590 -9.439 -17.862 1.00 23.24 N ATOM 1923 CA ALA A 119 -4.083 -8.111 -17.487 1.00 42.34 C ATOM 1924 C ALA A 119 -5.008 -8.177 -16.261 1.00 73.11 C ATOM 1925 O ALA A 119 -4.959 -7.302 -15.396 1.00 72.20 O ATOM 1926 CB ALA A 119 -4.806 -7.466 -18.667 1.00 74.55 C ATOM 0 H ALA A 119 -3.949 -9.782 -18.753 1.00 23.24 H new ATOM 0 HA ALA A 119 -3.223 -7.498 -17.218 1.00 42.34 H new ATOM 0 HB1 ALA A 119 -5.168 -6.480 -18.377 1.00 74.55 H new ATOM 0 HB2 ALA A 119 -4.117 -7.367 -19.506 1.00 74.55 H new ATOM 0 HB3 ALA A 119 -5.650 -8.090 -18.962 1.00 74.55 H new ATOM 1932 N GLU A 120 -5.842 -9.219 -16.190 1.00 72.32 N ATOM 1933 CA GLU A 120 -6.775 -9.394 -15.065 1.00 31.02 C ATOM 1934 C GLU A 120 -6.044 -9.336 -13.713 1.00 62.35 C ATOM 1935 O GLU A 120 -6.420 -8.574 -12.823 1.00 51.11 O ATOM 1936 CB GLU A 120 -7.540 -10.727 -15.178 1.00 54.42 C ATOM 1937 CG GLU A 120 -8.388 -10.861 -16.443 1.00 44.42 C ATOM 1938 CD GLU A 120 -9.277 -12.101 -16.436 1.00 41.35 C ATOM 1939 OE1 GLU A 120 -8.753 -13.224 -16.621 1.00 54.22 O ATOM 1940 OE2 GLU A 120 -10.502 -11.958 -16.239 1.00 3.43 O ATOM 0 H GLU A 120 -5.893 -9.954 -16.895 1.00 72.32 H new ATOM 0 HA GLU A 120 -7.487 -8.570 -15.113 1.00 31.02 H new ATOM 0 HB2 GLU A 120 -6.823 -11.548 -15.147 1.00 54.42 H new ATOM 0 HB3 GLU A 120 -8.187 -10.836 -14.308 1.00 54.42 H new ATOM 0 HG2 GLU A 120 -9.012 -9.974 -16.551 1.00 44.42 H new ATOM 0 HG3 GLU A 120 -7.731 -10.896 -17.312 1.00 44.42 H new ATOM 1947 N GLU A 121 -4.990 -10.140 -13.570 1.00 4.25 N ATOM 1948 CA GLU A 121 -4.214 -10.172 -12.326 1.00 61.33 C ATOM 1949 C GLU A 121 -3.343 -8.912 -12.173 1.00 12.33 C ATOM 1950 O GLU A 121 -3.288 -8.309 -11.098 1.00 25.41 O ATOM 1951 CB GLU A 121 -3.344 -11.441 -12.258 1.00 33.14 C ATOM 1952 CG GLU A 121 -2.498 -11.527 -10.990 1.00 21.03 C ATOM 1953 CD GLU A 121 -1.808 -12.872 -10.803 1.00 54.53 C ATOM 1954 OE1 GLU A 121 -0.904 -13.203 -11.600 1.00 71.01 O ATOM 1955 OE2 GLU A 121 -2.151 -13.596 -9.842 1.00 14.22 O ATOM 0 H GLU A 121 -4.654 -10.775 -14.294 1.00 4.25 H new ATOM 0 HA GLU A 121 -4.922 -10.191 -11.497 1.00 61.33 H new ATOM 0 HB2 GLU A 121 -3.988 -12.318 -12.317 1.00 33.14 H new ATOM 0 HB3 GLU A 121 -2.687 -11.470 -13.127 1.00 33.14 H new ATOM 0 HG2 GLU A 121 -1.743 -10.742 -11.014 1.00 21.03 H new ATOM 0 HG3 GLU A 121 -3.133 -11.332 -10.126 1.00 21.03 H new ATOM 1962 N GLU A 122 -2.672 -8.512 -13.256 1.00 64.34 N ATOM 1963 CA GLU A 122 -1.818 -7.313 -13.245 1.00 21.53 C ATOM 1964 C GLU A 122 -2.564 -6.066 -12.745 1.00 0.33 C ATOM 1965 O GLU A 122 -2.100 -5.381 -11.832 1.00 51.11 O ATOM 1966 CB GLU A 122 -1.238 -7.052 -14.648 1.00 40.50 C ATOM 1967 CG GLU A 122 0.125 -7.693 -14.881 1.00 53.20 C ATOM 1968 CD GLU A 122 1.216 -7.049 -14.039 1.00 4.20 C ATOM 1969 OE1 GLU A 122 1.761 -6.006 -14.464 1.00 43.03 O ATOM 1970 OE2 GLU A 122 1.518 -7.559 -12.941 1.00 12.13 O ATOM 0 H GLU A 122 -2.701 -8.998 -14.153 1.00 64.34 H new ATOM 0 HA GLU A 122 -1.005 -7.509 -12.546 1.00 21.53 H new ATOM 0 HB2 GLU A 122 -1.937 -7.427 -15.395 1.00 40.50 H new ATOM 0 HB3 GLU A 122 -1.154 -5.976 -14.801 1.00 40.50 H new ATOM 0 HG2 GLU A 122 0.069 -8.756 -14.648 1.00 53.20 H new ATOM 0 HG3 GLU A 122 0.387 -7.611 -15.936 1.00 53.20 H new ATOM 1977 N MET A 123 -3.720 -5.780 -13.340 1.00 10.23 N ATOM 1978 CA MET A 123 -4.497 -4.583 -12.992 1.00 44.43 C ATOM 1979 C MET A 123 -4.896 -4.557 -11.506 1.00 24.43 C ATOM 1980 O MET A 123 -5.071 -3.484 -10.929 1.00 73.03 O ATOM 1981 CB MET A 123 -5.745 -4.478 -13.880 1.00 13.15 C ATOM 1982 CG MET A 123 -5.426 -4.241 -15.352 1.00 43.23 C ATOM 1983 SD MET A 123 -4.480 -2.727 -15.629 1.00 64.51 S ATOM 1984 CE MET A 123 -5.658 -1.479 -15.107 1.00 52.01 C ATOM 0 H MET A 123 -4.143 -6.358 -14.066 1.00 10.23 H new ATOM 0 HA MET A 123 -3.855 -3.720 -13.170 1.00 44.43 H new ATOM 0 HB2 MET A 123 -6.327 -5.395 -13.786 1.00 13.15 H new ATOM 0 HB3 MET A 123 -6.372 -3.664 -13.517 1.00 13.15 H new ATOM 0 HG2 MET A 123 -4.864 -5.091 -15.739 1.00 43.23 H new ATOM 0 HG3 MET A 123 -6.357 -4.191 -15.917 1.00 43.23 H new ATOM 0 HE1 MET A 123 -5.333 -0.501 -15.462 1.00 52.01 H new ATOM 0 HE2 MET A 123 -6.639 -1.708 -15.523 1.00 52.01 H new ATOM 0 HE3 MET A 123 -5.719 -1.469 -14.019 1.00 52.01 H new ATOM 1994 N LEU A 124 -5.033 -5.730 -10.890 1.00 2.22 N ATOM 1995 CA LEU A 124 -5.371 -5.814 -9.462 1.00 63.51 C ATOM 1996 C LEU A 124 -4.119 -5.721 -8.573 1.00 64.20 C ATOM 1997 O LEU A 124 -4.154 -5.107 -7.506 1.00 1.21 O ATOM 1998 CB LEU A 124 -6.141 -7.105 -9.160 1.00 71.22 C ATOM 1999 CG LEU A 124 -7.528 -7.208 -9.819 1.00 34.24 C ATOM 2000 CD1 LEU A 124 -8.235 -8.491 -9.390 1.00 24.04 C ATOM 2001 CD2 LEU A 124 -8.382 -5.983 -9.479 1.00 51.42 C ATOM 0 H LEU A 124 -4.917 -6.633 -11.350 1.00 2.22 H new ATOM 0 HA LEU A 124 -6.009 -4.961 -9.230 1.00 63.51 H new ATOM 0 HB2 LEU A 124 -5.538 -7.953 -9.484 1.00 71.22 H new ATOM 0 HB3 LEU A 124 -6.262 -7.194 -8.080 1.00 71.22 H new ATOM 0 HG LEU A 124 -7.389 -7.238 -10.900 1.00 34.24 H new ATOM 0 HD11 LEU A 124 -9.214 -8.544 -9.867 1.00 24.04 H new ATOM 0 HD12 LEU A 124 -7.638 -9.353 -9.689 1.00 24.04 H new ATOM 0 HD13 LEU A 124 -8.359 -8.494 -8.307 1.00 24.04 H new ATOM 0 HD21 LEU A 124 -9.358 -6.077 -9.955 1.00 51.42 H new ATOM 0 HD22 LEU A 124 -8.510 -5.917 -8.399 1.00 51.42 H new ATOM 0 HD23 LEU A 124 -7.887 -5.082 -9.841 1.00 51.42 H new ATOM 2013 N TYR A 125 -3.019 -6.329 -9.015 1.00 45.24 N ATOM 2014 CA TYR A 125 -1.745 -6.267 -8.281 1.00 1.21 C ATOM 2015 C TYR A 125 -1.223 -4.829 -8.170 1.00 10.32 C ATOM 2016 O TYR A 125 -0.987 -4.328 -7.068 1.00 60.33 O ATOM 2017 CB TYR A 125 -0.690 -7.158 -8.955 1.00 21.43 C ATOM 2018 CG TYR A 125 -0.743 -8.611 -8.522 1.00 21.05 C ATOM 2019 CD1 TYR A 125 -1.953 -9.236 -8.246 1.00 33.53 C ATOM 2020 CD2 TYR A 125 0.425 -9.355 -8.379 1.00 65.33 C ATOM 2021 CE1 TYR A 125 -1.997 -10.554 -7.841 1.00 23.45 C ATOM 2022 CE2 TYR A 125 0.385 -10.673 -7.976 1.00 25.24 C ATOM 2023 CZ TYR A 125 -0.828 -11.267 -7.710 1.00 44.10 C ATOM 2024 OH TYR A 125 -0.874 -12.583 -7.317 1.00 70.00 O ATOM 0 H TYR A 125 -2.979 -6.872 -9.878 1.00 45.24 H new ATOM 0 HA TYR A 125 -1.933 -6.635 -7.272 1.00 1.21 H new ATOM 0 HB2 TYR A 125 -0.822 -7.106 -10.036 1.00 21.43 H new ATOM 0 HB3 TYR A 125 0.301 -6.760 -8.736 1.00 21.43 H new ATOM 0 HD1 TYR A 125 -2.874 -8.681 -8.350 1.00 33.53 H new ATOM 0 HD2 TYR A 125 1.378 -8.892 -8.587 1.00 65.33 H new ATOM 0 HE1 TYR A 125 -2.946 -11.024 -7.628 1.00 23.45 H new ATOM 0 HE2 TYR A 125 1.300 -11.236 -7.870 1.00 25.24 H new ATOM 0 HH TYR A 125 -1.277 -13.123 -8.028 1.00 70.00 H new ATOM 2034 N LYS A 126 -1.046 -4.166 -9.309 1.00 12.11 N ATOM 2035 CA LYS A 126 -0.580 -2.778 -9.323 1.00 24.40 C ATOM 2036 C LYS A 126 -1.619 -1.830 -8.701 1.00 41.43 C ATOM 2037 O LYS A 126 -1.301 -0.696 -8.341 1.00 40.12 O ATOM 2038 CB LYS A 126 -0.238 -2.344 -10.752 1.00 14.01 C ATOM 2039 CG LYS A 126 -1.420 -2.369 -11.717 1.00 41.23 C ATOM 2040 CD LYS A 126 -0.988 -2.164 -13.171 1.00 32.24 C ATOM 2041 CE LYS A 126 -0.284 -3.391 -13.759 1.00 53.12 C ATOM 2042 NZ LYS A 126 1.014 -3.696 -13.097 1.00 25.24 N ATOM 0 H LYS A 126 -1.217 -4.563 -10.233 1.00 12.11 H new ATOM 0 HA LYS A 126 0.323 -2.721 -8.715 1.00 24.40 H new ATOM 0 HB2 LYS A 126 0.172 -1.334 -10.724 1.00 14.01 H new ATOM 0 HB3 LYS A 126 0.546 -2.995 -11.139 1.00 14.01 H new ATOM 0 HG2 LYS A 126 -1.940 -3.323 -11.626 1.00 41.23 H new ATOM 0 HG3 LYS A 126 -2.130 -1.591 -11.438 1.00 41.23 H new ATOM 0 HD2 LYS A 126 -1.864 -1.929 -13.776 1.00 32.24 H new ATOM 0 HD3 LYS A 126 -0.320 -1.305 -13.229 1.00 32.24 H new ATOM 0 HE2 LYS A 126 -0.941 -4.256 -13.671 1.00 53.12 H new ATOM 0 HE3 LYS A 126 -0.112 -3.228 -14.823 1.00 53.12 H new ATOM 0 HZ1 LYS A 126 1.592 -4.292 -13.723 1.00 25.24 H new ATOM 0 HZ2 LYS A 126 1.520 -2.809 -12.900 1.00 25.24 H new ATOM 0 HZ3 LYS A 126 0.838 -4.200 -12.204 1.00 25.24 H new ATOM 2056 N ASP A 127 -2.865 -2.294 -8.583 1.00 55.23 N ATOM 2057 CA ASP A 127 -3.897 -1.532 -7.882 1.00 1.32 C ATOM 2058 C ASP A 127 -3.718 -1.640 -6.364 1.00 52.33 C ATOM 2059 O ASP A 127 -3.569 -0.637 -5.690 1.00 64.23 O ATOM 2060 CB ASP A 127 -5.302 -2.000 -8.271 1.00 1.01 C ATOM 2061 CG ASP A 127 -6.379 -1.246 -7.503 1.00 33.22 C ATOM 2062 OD1 ASP A 127 -6.620 -0.059 -7.818 1.00 1.01 O ATOM 2063 OD2 ASP A 127 -6.964 -1.823 -6.559 1.00 23.13 O ATOM 0 H ASP A 127 -3.181 -3.187 -8.961 1.00 55.23 H new ATOM 0 HA ASP A 127 -3.787 -0.490 -8.181 1.00 1.32 H new ATOM 0 HB2 ASP A 127 -5.450 -1.856 -9.341 1.00 1.01 H new ATOM 0 HB3 ASP A 127 -5.397 -3.068 -8.077 1.00 1.01 H new ATOM 2068 N MET A 128 -3.721 -2.860 -5.835 1.00 34.12 N ATOM 2069 CA MET A 128 -3.611 -3.065 -4.386 1.00 22.40 C ATOM 2070 C MET A 128 -2.317 -2.447 -3.821 1.00 24.25 C ATOM 2071 O MET A 128 -2.282 -2.010 -2.675 1.00 65.13 O ATOM 2072 CB MET A 128 -3.700 -4.559 -4.039 1.00 72.31 C ATOM 2073 CG MET A 128 -2.564 -5.407 -4.594 1.00 32.22 C ATOM 2074 SD MET A 128 -2.762 -7.157 -4.203 1.00 61.53 S ATOM 2075 CE MET A 128 -1.225 -7.831 -4.827 1.00 33.11 C ATOM 0 H MET A 128 -3.798 -3.719 -6.380 1.00 34.12 H new ATOM 0 HA MET A 128 -4.451 -2.552 -3.917 1.00 22.40 H new ATOM 0 HB2 MET A 128 -3.720 -4.666 -2.954 1.00 72.31 H new ATOM 0 HB3 MET A 128 -4.645 -4.950 -4.415 1.00 72.31 H new ATOM 0 HG2 MET A 128 -2.515 -5.282 -5.676 1.00 32.22 H new ATOM 0 HG3 MET A 128 -1.617 -5.051 -4.189 1.00 32.22 H new ATOM 0 HE1 MET A 128 -1.437 -8.679 -5.478 1.00 33.11 H new ATOM 0 HE2 MET A 128 -0.694 -7.064 -5.392 1.00 33.11 H new ATOM 0 HE3 MET A 128 -0.606 -8.160 -3.992 1.00 33.11 H new ATOM 2085 N GLN A 129 -1.263 -2.405 -4.637 1.00 31.33 N ATOM 2086 CA GLN A 129 -0.006 -1.756 -4.241 1.00 41.24 C ATOM 2087 C GLN A 129 -0.167 -0.220 -4.265 1.00 2.14 C ATOM 2088 O GLN A 129 0.135 0.469 -3.289 1.00 5.24 O ATOM 2089 CB GLN A 129 1.136 -2.192 -5.183 1.00 71.23 C ATOM 2090 CG GLN A 129 2.501 -2.349 -4.503 1.00 4.32 C ATOM 2091 CD GLN A 129 3.015 -1.075 -3.847 1.00 75.45 C ATOM 2092 OE1 GLN A 129 2.768 -0.823 -2.673 1.00 10.21 O ATOM 2093 NE2 GLN A 129 3.741 -0.267 -4.594 1.00 71.15 N ATOM 0 H GLN A 129 -1.251 -2.810 -5.573 1.00 31.33 H new ATOM 0 HA GLN A 129 0.243 -2.062 -3.225 1.00 41.24 H new ATOM 0 HB2 GLN A 129 0.865 -3.141 -5.646 1.00 71.23 H new ATOM 0 HB3 GLN A 129 1.227 -1.460 -5.985 1.00 71.23 H new ATOM 0 HG2 GLN A 129 2.432 -3.132 -3.748 1.00 4.32 H new ATOM 0 HG3 GLN A 129 3.228 -2.683 -5.243 1.00 4.32 H new ATOM 0 HE21 GLN A 129 3.929 -0.504 -5.568 1.00 71.15 H new ATOM 0 HE22 GLN A 129 4.114 0.596 -4.198 1.00 71.15 H new ATOM 2102 N LYS A 130 -0.661 0.302 -5.389 1.00 53.30 N ATOM 2103 CA LYS A 130 -0.924 1.741 -5.542 1.00 4.45 C ATOM 2104 C LYS A 130 -1.931 2.236 -4.490 1.00 4.01 C ATOM 2105 O LYS A 130 -1.634 3.121 -3.691 1.00 60.24 O ATOM 2106 CB LYS A 130 -1.474 2.018 -6.948 1.00 15.02 C ATOM 2107 CG LYS A 130 -1.682 3.496 -7.260 1.00 2.23 C ATOM 2108 CD LYS A 130 -2.476 3.719 -8.552 1.00 32.33 C ATOM 2109 CE LYS A 130 -1.768 3.180 -9.798 1.00 74.30 C ATOM 2110 NZ LYS A 130 -1.823 1.695 -9.899 1.00 34.55 N ATOM 0 H LYS A 130 -0.890 -0.252 -6.214 1.00 53.30 H new ATOM 0 HA LYS A 130 0.014 2.277 -5.398 1.00 4.45 H new ATOM 0 HB2 LYS A 130 -0.789 1.596 -7.683 1.00 15.02 H new ATOM 0 HB3 LYS A 130 -2.425 1.497 -7.063 1.00 15.02 H new ATOM 0 HG2 LYS A 130 -2.206 3.969 -6.429 1.00 2.23 H new ATOM 0 HG3 LYS A 130 -0.712 3.986 -7.345 1.00 2.23 H new ATOM 0 HD2 LYS A 130 -3.450 3.238 -8.459 1.00 32.33 H new ATOM 0 HD3 LYS A 130 -2.658 4.786 -8.679 1.00 32.33 H new ATOM 0 HE2 LYS A 130 -2.224 3.617 -10.686 1.00 74.30 H new ATOM 0 HE3 LYS A 130 -0.726 3.500 -9.785 1.00 74.30 H new ATOM 0 HZ1 LYS A 130 -0.882 1.299 -9.702 1.00 34.55 H new ATOM 0 HZ2 LYS A 130 -2.506 1.325 -9.208 1.00 34.55 H new ATOM 0 HZ3 LYS A 130 -2.119 1.423 -10.858 1.00 34.55 H new ATOM 2124 N ASP A 131 -3.126 1.657 -4.520 1.00 23.55 N ATOM 2125 CA ASP A 131 -4.192 1.950 -3.556 1.00 33.40 C ATOM 2126 C ASP A 131 -3.644 1.997 -2.119 1.00 34.24 C ATOM 2127 O ASP A 131 -3.873 2.963 -1.399 1.00 25.32 O ATOM 2128 CB ASP A 131 -5.292 0.882 -3.683 1.00 61.12 C ATOM 2129 CG ASP A 131 -6.582 1.247 -2.967 1.00 34.20 C ATOM 2130 OD1 ASP A 131 -7.243 2.217 -3.391 1.00 30.34 O ATOM 2131 OD2 ASP A 131 -6.972 0.534 -2.018 1.00 75.32 O ATOM 0 H ASP A 131 -3.389 0.963 -5.220 1.00 23.55 H new ATOM 0 HA ASP A 131 -4.610 2.932 -3.777 1.00 33.40 H new ATOM 0 HB2 ASP A 131 -5.507 0.718 -4.739 1.00 61.12 H new ATOM 0 HB3 ASP A 131 -4.919 -0.061 -3.283 1.00 61.12 H new ATOM 2136 N ALA A 132 -2.885 0.965 -1.734 1.00 71.44 N ATOM 2137 CA ALA A 132 -2.304 0.871 -0.385 1.00 5.42 C ATOM 2138 C ALA A 132 -1.542 2.145 0.022 1.00 64.02 C ATOM 2139 O ALA A 132 -1.830 2.741 1.063 1.00 0.31 O ATOM 2140 CB ALA A 132 -1.382 -0.340 -0.291 1.00 11.23 C ATOM 0 H ALA A 132 -2.656 0.177 -2.340 1.00 71.44 H new ATOM 0 HA ALA A 132 -3.135 0.756 0.311 1.00 5.42 H new ATOM 0 HB1 ALA A 132 -0.959 -0.398 0.712 1.00 11.23 H new ATOM 0 HB2 ALA A 132 -1.950 -1.247 -0.498 1.00 11.23 H new ATOM 0 HB3 ALA A 132 -0.577 -0.242 -1.019 1.00 11.23 H new ATOM 2146 N VAL A 133 -0.572 2.567 -0.795 1.00 51.13 N ATOM 2147 CA VAL A 133 0.211 3.770 -0.483 1.00 21.34 C ATOM 2148 C VAL A 133 -0.673 5.032 -0.487 1.00 75.41 C ATOM 2149 O VAL A 133 -0.433 5.976 0.271 1.00 12.42 O ATOM 2150 CB VAL A 133 1.415 3.955 -1.451 1.00 72.23 C ATOM 2151 CG1 VAL A 133 0.957 4.175 -2.890 1.00 5.13 C ATOM 2152 CG2 VAL A 133 2.307 5.102 -0.986 1.00 3.44 C ATOM 0 H VAL A 133 -0.312 2.103 -1.665 1.00 51.13 H new ATOM 0 HA VAL A 133 0.610 3.627 0.521 1.00 21.34 H new ATOM 0 HB VAL A 133 1.996 3.033 -1.432 1.00 72.23 H new ATOM 0 HG11 VAL A 133 1.828 4.300 -3.534 1.00 5.13 H new ATOM 0 HG12 VAL A 133 0.379 3.313 -3.224 1.00 5.13 H new ATOM 0 HG13 VAL A 133 0.336 5.070 -2.942 1.00 5.13 H new ATOM 0 HG21 VAL A 133 3.143 5.215 -1.676 1.00 3.44 H new ATOM 0 HG22 VAL A 133 1.729 6.026 -0.962 1.00 3.44 H new ATOM 0 HG23 VAL A 133 2.687 4.886 0.012 1.00 3.44 H new ATOM 2162 N GLN A 134 -1.712 5.033 -1.325 1.00 52.20 N ATOM 2163 CA GLN A 134 -2.675 6.140 -1.356 1.00 23.40 C ATOM 2164 C GLN A 134 -3.549 6.136 -0.087 1.00 31.01 C ATOM 2165 O GLN A 134 -4.005 7.185 0.370 1.00 2.13 O ATOM 2166 CB GLN A 134 -3.558 6.052 -2.612 1.00 54.41 C ATOM 2167 CG GLN A 134 -2.773 5.946 -3.919 1.00 63.33 C ATOM 2168 CD GLN A 134 -1.820 7.108 -4.154 1.00 63.42 C ATOM 2169 OE1 GLN A 134 -2.069 8.237 -3.742 1.00 44.55 O ATOM 2170 NE2 GLN A 134 -0.712 6.841 -4.820 1.00 21.42 N ATOM 0 H GLN A 134 -1.909 4.284 -1.989 1.00 52.20 H new ATOM 0 HA GLN A 134 -2.117 7.076 -1.388 1.00 23.40 H new ATOM 0 HB2 GLN A 134 -4.213 5.186 -2.523 1.00 54.41 H new ATOM 0 HB3 GLN A 134 -4.199 6.933 -2.655 1.00 54.41 H new ATOM 0 HG2 GLN A 134 -2.205 5.016 -3.917 1.00 63.33 H new ATOM 0 HG3 GLN A 134 -3.475 5.889 -4.751 1.00 63.33 H new ATOM 0 HE21 GLN A 134 -0.531 5.893 -5.150 1.00 21.42 H new ATOM 0 HE22 GLN A 134 -0.036 7.583 -5.004 1.00 21.42 H new ATOM 2179 N GLN A 135 -3.778 4.946 0.476 1.00 42.11 N ATOM 2180 CA GLN A 135 -4.478 4.817 1.760 1.00 63.53 C ATOM 2181 C GLN A 135 -3.620 5.401 2.888 1.00 35.44 C ATOM 2182 O GLN A 135 -4.104 6.178 3.715 1.00 72.33 O ATOM 2183 CB GLN A 135 -4.800 3.342 2.066 1.00 52.24 C ATOM 2184 CG GLN A 135 -5.606 2.628 0.984 1.00 0.42 C ATOM 2185 CD GLN A 135 -7.039 3.119 0.854 1.00 43.02 C ATOM 2186 OE1 GLN A 135 -7.359 4.270 1.146 1.00 51.22 O ATOM 2187 NE2 GLN A 135 -7.910 2.252 0.382 1.00 35.51 N ATOM 0 H GLN A 135 -3.490 4.058 0.064 1.00 42.11 H new ATOM 0 HA GLN A 135 -5.415 5.370 1.692 1.00 63.53 H new ATOM 0 HB2 GLN A 135 -3.864 2.804 2.218 1.00 52.24 H new ATOM 0 HB3 GLN A 135 -5.352 3.292 3.004 1.00 52.24 H new ATOM 0 HG2 GLN A 135 -5.101 2.755 0.026 1.00 0.42 H new ATOM 0 HG3 GLN A 135 -5.617 1.560 1.199 1.00 0.42 H new ATOM 0 HE21 GLN A 135 -7.612 1.305 0.150 1.00 35.51 H new ATOM 0 HE22 GLN A 135 -8.883 2.528 0.249 1.00 35.51 H new ATOM 2196 N ILE A 136 -2.336 5.020 2.907 1.00 73.40 N ATOM 2197 CA ILE A 136 -1.369 5.587 3.855 1.00 41.53 C ATOM 2198 C ILE A 136 -1.410 7.120 3.806 1.00 12.20 C ATOM 2199 O ILE A 136 -1.605 7.780 4.825 1.00 41.22 O ATOM 2200 CB ILE A 136 0.080 5.111 3.547 1.00 64.32 C ATOM 2201 CG1 ILE A 136 0.170 3.575 3.598 1.00 32.21 C ATOM 2202 CG2 ILE A 136 1.078 5.739 4.523 1.00 0.45 C ATOM 2203 CD1 ILE A 136 1.542 3.022 3.258 1.00 35.03 C ATOM 0 H ILE A 136 -1.943 4.321 2.276 1.00 73.40 H new ATOM 0 HA ILE A 136 -1.648 5.238 4.849 1.00 41.53 H new ATOM 0 HB ILE A 136 0.336 5.438 2.539 1.00 64.32 H new ATOM 0 HG12 ILE A 136 -0.108 3.239 4.597 1.00 32.21 H new ATOM 0 HG13 ILE A 136 -0.560 3.156 2.906 1.00 32.21 H new ATOM 0 HG21 ILE A 136 2.084 5.392 4.288 1.00 0.45 H new ATOM 0 HG22 ILE A 136 1.039 6.825 4.435 1.00 0.45 H new ATOM 0 HG23 ILE A 136 0.822 5.448 5.542 1.00 0.45 H new ATOM 0 HD11 ILE A 136 1.521 1.934 3.317 1.00 35.03 H new ATOM 0 HD12 ILE A 136 1.816 3.325 2.248 1.00 35.03 H new ATOM 0 HD13 ILE A 136 2.276 3.409 3.965 1.00 35.03 H new ATOM 2215 N LEU A 137 -1.250 7.669 2.603 1.00 53.50 N ATOM 2216 CA LEU A 137 -1.340 9.117 2.380 1.00 25.15 C ATOM 2217 C LEU A 137 -2.630 9.706 2.974 1.00 14.45 C ATOM 2218 O LEU A 137 -2.607 10.731 3.664 1.00 33.41 O ATOM 2219 CB LEU A 137 -1.303 9.409 0.873 1.00 3.01 C ATOM 2220 CG LEU A 137 -1.410 10.896 0.488 1.00 14.30 C ATOM 2221 CD1 LEU A 137 -0.142 11.646 0.877 1.00 31.45 C ATOM 2222 CD2 LEU A 137 -1.705 11.055 -1.003 1.00 53.32 C ATOM 0 H LEU A 137 -1.056 7.130 1.759 1.00 53.50 H new ATOM 0 HA LEU A 137 -0.491 9.583 2.880 1.00 25.15 H new ATOM 0 HB2 LEU A 137 -0.374 9.011 0.465 1.00 3.01 H new ATOM 0 HB3 LEU A 137 -2.119 8.867 0.395 1.00 3.01 H new ATOM 0 HG LEU A 137 -2.243 11.330 1.041 1.00 14.30 H new ATOM 0 HD11 LEU A 137 -0.239 12.695 0.596 1.00 31.45 H new ATOM 0 HD12 LEU A 137 0.009 11.571 1.954 1.00 31.45 H new ATOM 0 HD13 LEU A 137 0.712 11.209 0.360 1.00 31.45 H new ATOM 0 HD21 LEU A 137 -1.776 12.115 -1.249 1.00 53.32 H new ATOM 0 HD22 LEU A 137 -0.902 10.601 -1.583 1.00 53.32 H new ATOM 0 HD23 LEU A 137 -2.648 10.563 -1.242 1.00 53.32 H new ATOM 2234 N ARG A 138 -3.754 9.045 2.709 1.00 74.10 N ATOM 2235 CA ARG A 138 -5.068 9.572 3.084 1.00 53.12 C ATOM 2236 C ARG A 138 -5.331 9.471 4.602 1.00 34.54 C ATOM 2237 O ARG A 138 -6.154 10.211 5.142 1.00 14.24 O ATOM 2238 CB ARG A 138 -6.172 8.845 2.296 1.00 35.03 C ATOM 2239 CG ARG A 138 -7.455 9.663 2.141 1.00 45.45 C ATOM 2240 CD ARG A 138 -7.195 10.964 1.383 1.00 72.44 C ATOM 2241 NE ARG A 138 -8.386 11.805 1.292 1.00 14.32 N ATOM 2242 CZ ARG A 138 -8.365 13.109 1.370 1.00 53.23 C ATOM 2243 NH1 ARG A 138 -7.251 13.739 1.567 1.00 31.21 N ATOM 2244 NH2 ARG A 138 -9.460 13.785 1.238 1.00 32.43 N ATOM 0 H ARG A 138 -3.784 8.142 2.235 1.00 74.10 H new ATOM 0 HA ARG A 138 -5.079 10.632 2.830 1.00 53.12 H new ATOM 0 HB2 ARG A 138 -5.792 8.590 1.307 1.00 35.03 H new ATOM 0 HB3 ARG A 138 -6.408 7.907 2.799 1.00 35.03 H new ATOM 0 HG2 ARG A 138 -8.203 9.074 1.610 1.00 45.45 H new ATOM 0 HG3 ARG A 138 -7.866 9.889 3.125 1.00 45.45 H new ATOM 0 HD2 ARG A 138 -6.400 11.518 1.881 1.00 72.44 H new ATOM 0 HD3 ARG A 138 -6.841 10.731 0.379 1.00 72.44 H new ATOM 0 HE ARG A 138 -9.288 11.347 1.160 1.00 14.32 H new ATOM 0 HH11 ARG A 138 -6.380 13.217 1.663 1.00 31.21 H new ATOM 0 HH12 ARG A 138 -7.245 14.757 1.626 1.00 31.21 H new ATOM 0 HH21 ARG A 138 -10.342 13.300 1.073 1.00 32.43 H new ATOM 0 HH22 ARG A 138 -9.441 14.803 1.299 1.00 32.43 H new ATOM 2258 N GLN A 139 -4.646 8.557 5.289 1.00 51.35 N ATOM 2259 CA GLN A 139 -4.788 8.433 6.747 1.00 21.42 C ATOM 2260 C GLN A 139 -3.765 9.304 7.498 1.00 22.03 C ATOM 2261 O GLN A 139 -4.120 10.007 8.446 1.00 71.04 O ATOM 2262 CB GLN A 139 -4.672 6.966 7.193 1.00 23.55 C ATOM 2263 CG GLN A 139 -5.782 6.073 6.639 1.00 71.25 C ATOM 2264 CD GLN A 139 -5.911 4.747 7.378 1.00 22.52 C ATOM 2265 OE1 GLN A 139 -4.943 4.210 7.905 1.00 22.13 O ATOM 2266 NE2 GLN A 139 -7.115 4.215 7.426 1.00 64.23 N ATOM 0 H GLN A 139 -3.993 7.896 4.869 1.00 51.35 H new ATOM 0 HA GLN A 139 -5.784 8.795 7.002 1.00 21.42 H new ATOM 0 HB2 GLN A 139 -3.707 6.573 6.875 1.00 23.55 H new ATOM 0 HB3 GLN A 139 -4.691 6.923 8.282 1.00 23.55 H new ATOM 0 HG2 GLN A 139 -6.731 6.607 6.695 1.00 71.25 H new ATOM 0 HG3 GLN A 139 -5.589 5.876 5.584 1.00 71.25 H new ATOM 0 HE21 GLN A 139 -7.900 4.687 6.977 1.00 64.23 H new ATOM 0 HE22 GLN A 139 -7.263 3.331 7.912 1.00 64.23 H new ATOM 2275 N VAL A 140 -2.500 9.259 7.069 1.00 13.11 N ATOM 2276 CA VAL A 140 -1.438 10.081 7.680 1.00 0.54 C ATOM 2277 C VAL A 140 -1.818 11.572 7.686 1.00 13.32 C ATOM 2278 O VAL A 140 -1.598 12.280 8.672 1.00 33.11 O ATOM 2279 CB VAL A 140 -0.082 9.889 6.945 1.00 32.33 C ATOM 2280 CG1 VAL A 140 0.982 10.847 7.484 1.00 10.02 C ATOM 2281 CG2 VAL A 140 0.390 8.441 7.066 1.00 1.35 C ATOM 0 H VAL A 140 -2.182 8.665 6.303 1.00 13.11 H new ATOM 0 HA VAL A 140 -1.328 9.744 8.711 1.00 0.54 H new ATOM 0 HB VAL A 140 -0.236 10.120 5.891 1.00 32.33 H new ATOM 0 HG11 VAL A 140 1.919 10.688 6.950 1.00 10.02 H new ATOM 0 HG12 VAL A 140 0.652 11.876 7.340 1.00 10.02 H new ATOM 0 HG13 VAL A 140 1.134 10.661 8.547 1.00 10.02 H new ATOM 0 HG21 VAL A 140 1.341 8.324 6.546 1.00 1.35 H new ATOM 0 HG22 VAL A 140 0.518 8.187 8.118 1.00 1.35 H new ATOM 0 HG23 VAL A 140 -0.352 7.778 6.620 1.00 1.35 H new ATOM 2291 N SER A 141 -2.400 12.039 6.585 1.00 30.33 N ATOM 2292 CA SER A 141 -2.880 13.425 6.492 1.00 3.42 C ATOM 2293 C SER A 141 -4.110 13.652 7.386 1.00 42.31 C ATOM 2294 O SER A 141 -4.228 14.682 8.047 1.00 2.02 O ATOM 2295 CB SER A 141 -3.221 13.782 5.038 1.00 60.31 C ATOM 2296 OG SER A 141 -4.204 12.907 4.510 1.00 53.35 O ATOM 0 H SER A 141 -2.553 11.484 5.743 1.00 30.33 H new ATOM 0 HA SER A 141 -2.077 14.075 6.841 1.00 3.42 H new ATOM 0 HB2 SER A 141 -3.581 14.810 4.988 1.00 60.31 H new ATOM 0 HB3 SER A 141 -2.319 13.730 4.428 1.00 60.31 H new ATOM 0 HG SER A 141 -3.770 12.101 4.159 1.00 53.35 H new ATOM 2302 N ALA A 142 -5.012 12.669 7.418 1.00 63.43 N ATOM 2303 CA ALA A 142 -6.252 12.760 8.208 1.00 51.02 C ATOM 2304 C ALA A 142 -5.986 12.893 9.720 1.00 33.12 C ATOM 2305 O ALA A 142 -6.861 13.325 10.476 1.00 23.24 O ATOM 2306 CB ALA A 142 -7.135 11.546 7.937 1.00 55.14 C ATOM 0 H ALA A 142 -4.910 11.794 6.904 1.00 63.43 H new ATOM 0 HA ALA A 142 -6.765 13.669 7.893 1.00 51.02 H new ATOM 0 HB1 ALA A 142 -8.049 11.622 8.526 1.00 55.14 H new ATOM 0 HB2 ALA A 142 -7.388 11.509 6.877 1.00 55.14 H new ATOM 0 HB3 ALA A 142 -6.600 10.638 8.214 1.00 55.14 H new ATOM 2312 N PHE A 143 -4.782 12.522 10.159 1.00 43.21 N ATOM 2313 CA PHE A 143 -4.397 12.627 11.577 1.00 23.12 C ATOM 2314 C PHE A 143 -4.489 14.065 12.117 1.00 42.22 C ATOM 2315 O PHE A 143 -4.483 14.278 13.329 1.00 41.45 O ATOM 2316 CB PHE A 143 -2.979 12.078 11.793 1.00 65.33 C ATOM 2317 CG PHE A 143 -2.949 10.608 12.129 1.00 65.43 C ATOM 2318 CD1 PHE A 143 -3.306 10.182 13.399 1.00 61.14 C ATOM 2319 CD2 PHE A 143 -2.570 9.660 11.189 1.00 33.24 C ATOM 2320 CE1 PHE A 143 -3.287 8.839 13.726 1.00 61.32 C ATOM 2321 CE2 PHE A 143 -2.549 8.316 11.513 1.00 4.43 C ATOM 2322 CZ PHE A 143 -2.907 7.903 12.781 1.00 45.32 C ATOM 0 H PHE A 143 -4.052 12.145 9.555 1.00 43.21 H new ATOM 0 HA PHE A 143 -5.113 12.026 12.137 1.00 23.12 H new ATOM 0 HB2 PHE A 143 -2.390 12.249 10.892 1.00 65.33 H new ATOM 0 HB3 PHE A 143 -2.500 12.637 12.597 1.00 65.33 H new ATOM 0 HD1 PHE A 143 -3.602 10.908 14.142 1.00 61.14 H new ATOM 0 HD2 PHE A 143 -2.289 9.975 10.195 1.00 33.24 H new ATOM 0 HE1 PHE A 143 -3.569 8.521 14.719 1.00 61.32 H new ATOM 0 HE2 PHE A 143 -2.252 7.588 10.773 1.00 4.43 H new ATOM 0 HZ PHE A 143 -2.890 6.853 13.034 1.00 45.32 H new ATOM 2332 N THR A 144 -4.577 15.046 11.226 1.00 24.23 N ATOM 2333 CA THR A 144 -4.710 16.451 11.642 1.00 35.43 C ATOM 2334 C THR A 144 -6.168 16.812 11.974 1.00 44.12 C ATOM 2335 O THR A 144 -6.486 17.975 12.245 1.00 12.21 O ATOM 2336 CB THR A 144 -4.198 17.418 10.544 1.00 5.05 C ATOM 2337 OG1 THR A 144 -4.206 18.775 11.021 1.00 41.22 O ATOM 2338 CG2 THR A 144 -5.055 17.321 9.285 1.00 30.15 C ATOM 0 H THR A 144 -4.560 14.904 10.216 1.00 24.23 H new ATOM 0 HA THR A 144 -4.100 16.563 12.539 1.00 35.43 H new ATOM 0 HB THR A 144 -3.177 17.127 10.299 1.00 5.05 H new ATOM 0 HG1 THR A 144 -4.938 18.892 11.662 1.00 41.22 H new ATOM 0 HG21 THR A 144 -4.674 18.010 8.531 1.00 30.15 H new ATOM 0 HG22 THR A 144 -5.019 16.303 8.898 1.00 30.15 H new ATOM 0 HG23 THR A 144 -6.086 17.581 9.526 1.00 30.15 H new