USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 743 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 63 CYS SG : rot -124:sc= 0.283 USER MOD Set 1.2: A 100 CYS SG : rot 180:sc= 0.265 USER MOD Set 2.1: A 17 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.1) USER MOD Set 2.2: A 35 CYS SG : rot 43:sc= -0.0313 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -87:sc= 2.17 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 124:sc= -0.115 (180deg=-0.719) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.022) USER MOD Single : A 37 SER OG : rot -86:sc= -1.16 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.875 K(o=-0.88,f=-4.2!) USER MOD Single : A 64 HIS : no HD1:sc= -0.415 X(o=-0.41,f=-0.91) USER MOD Single : A 72 TYR OH : rot -145:sc= 0.613 USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00148) USER MOD Single : A 79 SER OG : rot 180:sc= 0.136 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00638 K(o=-0.0064,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -47:sc= 0.0201 USER MOD Single : A 101 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.011) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.026) USER MOD Single : A 114 THR OG1 : rot 170:sc= -1.26 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 0.398 4.390 -19.168 1.00 62.40 N ATOM 154 CA ARG A 13 1.444 4.314 -18.154 1.00 13.43 C ATOM 155 C ARG A 13 2.653 3.544 -18.676 1.00 51.13 C ATOM 156 O ARG A 13 2.519 2.429 -19.180 1.00 65.25 O ATOM 157 CB ARG A 13 0.906 3.647 -16.887 1.00 71.33 C ATOM 158 CG ARG A 13 -0.234 4.410 -16.232 1.00 64.41 C ATOM 159 CD ARG A 13 0.236 5.746 -15.679 1.00 64.44 C ATOM 160 NE ARG A 13 1.131 5.582 -14.537 1.00 53.53 N ATOM 161 CZ ARG A 13 1.867 6.566 -14.032 1.00 72.45 C ATOM 162 NH1 ARG A 13 1.813 7.778 -14.565 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 2.657 6.338 -12.991 1.00 74.21 N ATOM 0 HA ARG A 13 1.760 5.330 -17.915 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.564 2.642 -17.133 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.720 3.540 -16.170 1.00 71.33 H new ATOM 0 HG2 ARG A 13 -1.028 4.575 -16.960 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -0.659 3.811 -15.427 1.00 64.41 H new ATOM 0 HD2 ARG A 13 0.748 6.303 -16.464 1.00 64.44 H new ATOM 0 HD3 ARG A 13 -0.628 6.339 -15.380 1.00 64.44 H new ATOM 0 HE ARG A 13 1.195 4.661 -14.103 1.00 53.53 H new ATOM 0 HH11 ARG A 13 1.205 7.957 -15.365 1.00 1.02 H new ATOM 0 HH12 ARG A 13 2.379 8.532 -14.176 1.00 1.02 H new ATOM 0 HH21 ARG A 13 2.700 5.407 -12.578 1.00 74.21 H new ATOM 0 HH22 ARG A 13 3.222 7.094 -12.604 1.00 74.21 H new ATOM 177 N ILE A 14 3.830 4.145 -18.550 1.00 31.23 N ATOM 178 CA ILE A 14 5.062 3.515 -19.008 1.00 21.45 C ATOM 179 C ILE A 14 5.334 2.223 -18.246 1.00 33.43 C ATOM 180 O ILE A 14 5.248 2.166 -17.018 1.00 4.22 O ATOM 181 CB ILE A 14 6.270 4.457 -18.846 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.024 5.770 -19.593 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.537 3.784 -19.353 1.00 71.10 C ATOM 184 CD1 ILE A 14 5.868 5.596 -21.087 1.00 72.40 C ATOM 0 H ILE A 14 3.957 5.068 -18.134 1.00 31.23 H new ATOM 0 HA ILE A 14 4.927 3.289 -20.066 1.00 21.45 H new ATOM 0 HB ILE A 14 6.398 4.681 -17.787 1.00 63.41 H new ATOM 0 HG12 ILE A 14 5.126 6.242 -19.195 1.00 40.21 H new ATOM 0 HG13 ILE A 14 6.854 6.450 -19.399 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.382 4.462 -19.232 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.718 2.873 -18.783 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.420 3.535 -20.408 1.00 71.10 H new ATOM 0 HD11 ILE A 14 5.697 6.568 -21.551 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.775 5.153 -21.498 1.00 72.40 H new ATOM 0 HD13 ILE A 14 5.020 4.942 -21.291 1.00 72.40 H new ATOM 196 N PRO A 15 5.673 1.158 -18.988 1.00 52.44 N ATOM 197 CA PRO A 15 5.967 -0.154 -18.404 1.00 71.33 C ATOM 198 C PRO A 15 7.277 -0.159 -17.622 1.00 44.54 C ATOM 199 O PRO A 15 7.870 0.891 -17.382 1.00 21.35 O ATOM 200 CB PRO A 15 6.068 -1.072 -19.624 1.00 32.33 C ATOM 201 CG PRO A 15 6.450 -0.169 -20.746 1.00 35.51 C ATOM 202 CD PRO A 15 5.794 1.153 -20.455 1.00 52.11 C ATOM 0 HA PRO A 15 5.206 -0.461 -17.686 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.814 -1.852 -19.472 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.120 -1.572 -19.823 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.533 -0.062 -20.809 1.00 35.51 H new ATOM 0 HG3 PRO A 15 6.113 -0.570 -21.702 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.397 1.988 -20.811 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.821 1.234 -20.939 1.00 52.11 H new ATOM 210 N GLU A 16 7.720 -1.349 -17.229 1.00 24.10 N ATOM 211 CA GLU A 16 8.960 -1.490 -16.474 1.00 63.23 C ATOM 212 C GLU A 16 10.109 -0.771 -17.176 1.00 23.52 C ATOM 213 O GLU A 16 10.067 -0.547 -18.386 1.00 3.13 O ATOM 214 CB GLU A 16 9.306 -2.968 -16.290 1.00 12.45 C ATOM 215 CG GLU A 16 10.165 -3.245 -15.067 1.00 54.23 C ATOM 216 CD GLU A 16 11.649 -3.214 -15.378 1.00 62.22 C ATOM 217 OE1 GLU A 16 12.096 -4.026 -16.214 1.00 73.31 O ATOM 218 OE2 GLU A 16 12.363 -2.379 -14.784 1.00 11.13 O1- ATOM 0 H GLU A 16 7.240 -2.228 -17.420 1.00 24.10 H new ATOM 0 HA GLU A 16 8.813 -1.034 -15.495 1.00 63.23 H new ATOM 0 HB2 GLU A 16 8.382 -3.542 -16.212 1.00 12.45 H new ATOM 0 HB3 GLU A 16 9.828 -3.323 -17.178 1.00 12.45 H new ATOM 0 HG2 GLU A 16 9.943 -2.506 -14.297 1.00 54.23 H new ATOM 0 HG3 GLU A 16 9.904 -4.221 -14.657 1.00 54.23 H new ATOM 225 N GLN A 17 11.132 -0.412 -16.408 1.00 15.32 N ATOM 226 CA GLN A 17 12.292 0.282 -16.955 1.00 43.30 C ATOM 227 C GLN A 17 13.167 -0.671 -17.761 1.00 14.04 C ATOM 228 O GLN A 17 13.305 -1.845 -17.414 1.00 32.12 O ATOM 229 CB GLN A 17 13.111 0.918 -15.831 1.00 2.54 C ATOM 230 CG GLN A 17 12.266 1.662 -14.810 1.00 15.05 C ATOM 231 CD GLN A 17 13.104 2.400 -13.785 1.00 5.52 C ATOM 232 OE1 GLN A 17 14.335 2.383 -13.844 1.00 25.01 O ATOM 233 NE2 GLN A 17 12.443 3.055 -12.838 1.00 30.14 N ATOM 0 H GLN A 17 11.181 -0.590 -15.405 1.00 15.32 H new ATOM 0 HA GLN A 17 11.932 1.067 -17.621 1.00 43.30 H new ATOM 0 HB2 GLN A 17 13.680 0.140 -15.322 1.00 2.54 H new ATOM 0 HB3 GLN A 17 13.834 1.609 -16.265 1.00 2.54 H new ATOM 0 HG2 GLN A 17 11.621 2.373 -15.327 1.00 15.05 H new ATOM 0 HG3 GLN A 17 11.614 0.954 -14.299 1.00 15.05 H new ATOM 0 HE21 GLN A 17 11.423 3.043 -12.826 1.00 30.14 H new ATOM 0 HE22 GLN A 17 12.955 3.570 -12.122 1.00 30.14 H new ATOM 242 N ILE A 18 13.756 -0.161 -18.837 1.00 24.21 N ATOM 243 CA ILE A 18 14.619 -0.968 -19.691 1.00 45.03 C ATOM 244 C ILE A 18 15.854 -0.184 -20.123 1.00 53.13 C ATOM 245 O ILE A 18 15.996 0.996 -19.801 1.00 34.14 O ATOM 246 CB ILE A 18 13.871 -1.456 -20.946 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.373 -0.265 -21.766 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.710 -2.358 -20.553 1.00 30.13 C ATOM 249 CD1 ILE A 18 14.291 0.108 -22.909 1.00 51.52 C ATOM 0 H ILE A 18 13.651 0.808 -19.138 1.00 24.21 H new ATOM 0 HA ILE A 18 14.927 -1.832 -19.102 1.00 45.03 H new ATOM 0 HB ILE A 18 14.562 -2.032 -21.561 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.385 -0.496 -22.165 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.257 0.596 -21.108 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.191 -2.695 -21.450 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.089 -3.222 -20.007 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.017 -1.804 -19.920 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.875 0.960 -23.447 1.00 51.52 H new ATOM 0 HD12 ILE A 18 15.273 0.371 -22.516 1.00 51.52 H new ATOM 0 HD13 ILE A 18 14.387 -0.738 -23.589 1.00 51.52 H new ATOM 261 N ARG A 19 16.743 -0.848 -20.854 1.00 71.23 N ATOM 262 CA ARG A 19 17.966 -0.213 -21.330 1.00 75.34 C ATOM 263 C ARG A 19 18.048 -0.264 -22.853 1.00 62.41 C ATOM 264 O ARG A 19 17.667 -1.258 -23.471 1.00 51.13 O ATOM 265 CB ARG A 19 19.191 -0.896 -20.720 1.00 70.32 C ATOM 266 CG ARG A 19 20.511 -0.412 -21.299 1.00 12.13 C ATOM 267 CD ARG A 19 21.685 -0.810 -20.419 1.00 72.31 C ATOM 268 NE ARG A 19 21.892 -2.256 -20.403 1.00 22.42 N ATOM 269 CZ ARG A 19 22.641 -2.881 -19.502 1.00 11.21 C ATOM 270 NH1 ARG A 19 23.250 -2.192 -18.547 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 22.781 -4.200 -19.554 1.00 23.13 N ATOM 0 H ARG A 19 16.640 -1.825 -21.129 1.00 71.23 H new ATOM 0 HA ARG A 19 17.948 0.832 -21.019 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.192 -0.726 -19.643 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.110 -1.972 -20.873 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.646 -0.828 -22.297 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.487 0.672 -21.406 1.00 12.13 H new ATOM 0 HD2 ARG A 19 22.589 -0.318 -20.777 1.00 72.31 H new ATOM 0 HD3 ARG A 19 21.512 -0.457 -19.402 1.00 72.31 H new ATOM 0 HE ARG A 19 21.436 -2.816 -21.123 1.00 22.42 H new ATOM 0 HH11 ARG A 19 23.144 -1.178 -18.503 1.00 43.31 H new ATOM 0 HH12 ARG A 19 23.825 -2.675 -17.857 1.00 43.31 H new ATOM 0 HH21 ARG A 19 22.313 -4.734 -20.286 1.00 23.13 H new ATOM 0 HH22 ARG A 19 23.356 -4.679 -18.862 1.00 23.13 H new ATOM 285 N ILE A 20 18.547 0.813 -23.450 1.00 35.55 N ATOM 286 CA ILE A 20 18.678 0.889 -24.900 1.00 64.45 C ATOM 287 C ILE A 20 20.144 0.951 -25.315 1.00 32.03 C ATOM 288 O ILE A 20 21.024 1.211 -24.495 1.00 53.21 O ATOM 289 CB ILE A 20 17.943 2.117 -25.468 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.522 3.404 -24.876 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.451 2.020 -25.182 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.090 4.654 -25.611 1.00 21.13 C ATOM 0 H ILE A 20 18.867 1.644 -22.953 1.00 35.55 H new ATOM 0 HA ILE A 20 18.225 -0.015 -25.307 1.00 64.45 H new ATOM 0 HB ILE A 20 18.085 2.140 -26.548 1.00 75.13 H new ATOM 0 HG12 ILE A 20 18.219 3.483 -23.832 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.610 3.343 -24.888 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.945 2.895 -25.589 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.049 1.119 -25.646 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.289 1.976 -24.105 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.538 5.528 -25.137 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.417 4.597 -26.649 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.004 4.739 -25.577 1.00 21.13 H new ATOM 304 N PHE A 21 20.400 0.711 -26.598 1.00 73.53 N ATOM 305 CA PHE A 21 21.760 0.741 -27.125 1.00 64.54 C ATOM 306 C PHE A 21 21.891 1.782 -28.233 1.00 32.43 C ATOM 307 O PHE A 21 21.086 1.819 -29.164 1.00 22.23 O ATOM 308 CB PHE A 21 22.153 -0.638 -27.656 1.00 22.21 C ATOM 309 CG PHE A 21 22.963 -1.447 -26.682 1.00 75.22 C ATOM 310 CD1 PHE A 21 24.057 -2.181 -27.111 1.00 21.22 C ATOM 311 CD2 PHE A 21 22.629 -1.473 -25.337 1.00 14.32 C ATOM 312 CE1 PHE A 21 24.804 -2.925 -26.218 1.00 63.25 C ATOM 313 CE2 PHE A 21 23.373 -2.215 -24.439 1.00 44.12 C ATOM 314 CZ PHE A 21 24.461 -2.943 -24.880 1.00 20.14 C ATOM 0 H PHE A 21 19.684 0.494 -27.291 1.00 73.53 H new ATOM 0 HA PHE A 21 22.433 1.015 -26.312 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.249 -1.191 -27.912 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.723 -0.515 -28.577 1.00 22.21 H new ATOM 0 HD1 PHE A 21 24.329 -2.171 -28.156 1.00 21.22 H new ATOM 0 HD2 PHE A 21 21.778 -0.907 -24.987 1.00 14.32 H new ATOM 0 HE1 PHE A 21 25.655 -3.492 -26.566 1.00 63.25 H new ATOM 0 HE2 PHE A 21 23.104 -2.226 -23.393 1.00 44.12 H new ATOM 0 HZ PHE A 21 25.042 -3.525 -24.180 1.00 20.14 H new ATOM 324 N PHE A 22 22.912 2.626 -28.126 1.00 34.14 N ATOM 325 CA PHE A 22 23.149 3.668 -29.117 1.00 71.33 C ATOM 326 C PHE A 22 24.249 3.253 -30.090 1.00 24.13 C ATOM 327 O PHE A 22 25.434 3.301 -29.763 1.00 42.03 O ATOM 328 CB PHE A 22 23.531 4.979 -28.428 1.00 34.11 C ATOM 329 CG PHE A 22 22.409 5.976 -28.370 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.958 6.462 -27.154 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.805 6.427 -29.533 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.925 7.379 -27.098 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.773 7.345 -29.483 1.00 34.04 C ATOM 334 CZ PHE A 22 20.331 7.820 -28.264 1.00 31.31 C ATOM 0 H PHE A 22 23.588 2.608 -27.363 1.00 34.14 H new ATOM 0 HA PHE A 22 22.227 3.816 -29.679 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.867 4.763 -27.414 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.375 5.424 -28.955 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.419 6.121 -26.239 1.00 55.45 H new ATOM 0 HD2 PHE A 22 22.145 6.057 -30.489 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.583 7.750 -26.143 1.00 43.04 H new ATOM 0 HE2 PHE A 22 20.313 7.691 -30.397 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.522 8.535 -28.223 1.00 31.31 H new ATOM 344 N LYS A 23 23.846 2.845 -31.290 1.00 30.42 N ATOM 345 CA LYS A 23 24.794 2.422 -32.312 1.00 1.30 C ATOM 346 C LYS A 23 25.343 3.622 -33.076 1.00 12.33 C ATOM 347 O LYS A 23 24.585 4.415 -33.635 1.00 50.24 O ATOM 348 CB LYS A 23 24.125 1.447 -33.285 1.00 51.30 C ATOM 349 CG LYS A 23 24.960 0.213 -33.578 1.00 73.32 C ATOM 350 CD LYS A 23 25.795 0.390 -34.835 1.00 53.34 C ATOM 351 CE LYS A 23 25.056 -0.101 -36.070 1.00 11.44 C ATOM 352 NZ LYS A 23 25.980 -0.336 -37.214 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.868 2.799 -31.577 1.00 30.42 H new ATOM 0 HA LYS A 23 25.624 1.919 -31.816 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.165 1.137 -32.873 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.917 1.966 -34.221 1.00 51.30 H new ATOM 0 HG2 LYS A 23 25.615 0.006 -32.731 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.306 -0.651 -33.693 1.00 73.32 H new ATOM 0 HD2 LYS A 23 26.051 1.442 -34.958 1.00 53.34 H new ATOM 0 HD3 LYS A 23 26.733 -0.156 -34.730 1.00 53.34 H new ATOM 0 HE2 LYS A 23 24.529 -1.025 -35.834 1.00 11.44 H new ATOM 0 HE3 LYS A 23 24.302 0.632 -36.357 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 25.437 -0.670 -38.036 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 26.465 0.551 -37.457 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 26.684 -1.054 -36.950 1.00 75.34 H new ATOM 366 N THR A 24 26.666 3.751 -33.097 1.00 1.24 N ATOM 367 CA THR A 24 27.316 4.854 -33.792 1.00 41.43 C ATOM 368 C THR A 24 28.127 4.353 -34.982 1.00 55.05 C ATOM 369 O THR A 24 28.121 3.163 -35.291 1.00 23.40 O ATOM 370 CB THR A 24 28.244 5.644 -32.849 1.00 24.11 C ATOM 371 OG1 THR A 24 29.469 4.927 -32.654 1.00 65.51 O ATOM 372 CG2 THR A 24 27.572 5.885 -31.507 1.00 50.11 C ATOM 0 H THR A 24 27.309 3.104 -32.640 1.00 1.24 H new ATOM 0 HA THR A 24 26.524 5.514 -34.147 1.00 41.43 H new ATOM 0 HB THR A 24 28.458 6.609 -33.309 1.00 24.11 H new ATOM 0 HG1 THR A 24 29.365 4.299 -31.909 1.00 65.51 H new ATOM 0 HG21 THR A 24 28.246 6.444 -30.858 1.00 50.11 H new ATOM 0 HG22 THR A 24 26.655 6.456 -31.656 1.00 50.11 H new ATOM 0 HG23 THR A 24 27.332 4.928 -31.043 1.00 50.11 H new ATOM 380 N MET A 25 28.823 5.271 -35.646 1.00 73.10 N ATOM 381 CA MET A 25 29.640 4.920 -36.801 1.00 52.45 C ATOM 382 C MET A 25 30.935 4.239 -36.366 1.00 2.30 C ATOM 383 O MET A 25 31.686 3.724 -37.194 1.00 33.11 O ATOM 384 CB MET A 25 29.960 6.169 -37.625 1.00 30.23 C ATOM 385 CG MET A 25 30.084 5.898 -39.115 1.00 63.33 C ATOM 386 SD MET A 25 28.500 5.521 -39.887 1.00 45.42 S ATOM 387 CE MET A 25 28.531 6.636 -41.288 1.00 4.22 C ATOM 0 H MET A 25 28.837 6.262 -35.404 1.00 73.10 H new ATOM 0 HA MET A 25 29.072 4.222 -37.416 1.00 52.45 H new ATOM 0 HB2 MET A 25 29.179 6.911 -37.463 1.00 30.23 H new ATOM 0 HB3 MET A 25 30.892 6.603 -37.264 1.00 30.23 H new ATOM 0 HG2 MET A 25 30.524 6.768 -39.603 1.00 63.33 H new ATOM 0 HG3 MET A 25 30.768 5.064 -39.273 1.00 63.33 H new ATOM 0 HE1 MET A 25 27.614 6.520 -41.866 1.00 4.22 H new ATOM 0 HE2 MET A 25 28.609 7.664 -40.933 1.00 4.22 H new ATOM 0 HE3 MET A 25 29.389 6.404 -41.919 1.00 4.22 H new ATOM 397 N LYS A 26 31.188 4.239 -35.062 1.00 24.12 N ATOM 398 CA LYS A 26 32.390 3.621 -34.515 1.00 45.31 C ATOM 399 C LYS A 26 32.043 2.365 -33.722 1.00 52.32 C ATOM 400 O LYS A 26 32.767 1.371 -33.771 1.00 42.42 O ATOM 401 CB LYS A 26 33.136 4.613 -33.620 1.00 13.34 C ATOM 402 CG LYS A 26 34.507 4.125 -33.183 1.00 61.12 C ATOM 403 CD LYS A 26 35.513 4.195 -34.319 1.00 13.14 C ATOM 404 CE LYS A 26 36.150 5.573 -34.415 1.00 42.23 C ATOM 405 NZ LYS A 26 36.929 5.911 -33.192 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.576 4.661 -34.363 1.00 24.12 H new ATOM 0 HA LYS A 26 33.034 3.337 -35.347 1.00 45.31 H new ATOM 0 HB2 LYS A 26 33.248 5.557 -34.153 1.00 13.34 H new ATOM 0 HB3 LYS A 26 32.533 4.816 -32.735 1.00 13.34 H new ATOM 0 HG2 LYS A 26 34.859 4.729 -32.346 1.00 61.12 H new ATOM 0 HG3 LYS A 26 34.432 3.098 -32.826 1.00 61.12 H new ATOM 0 HD2 LYS A 26 36.288 3.444 -34.167 1.00 13.14 H new ATOM 0 HD3 LYS A 26 35.018 3.955 -35.260 1.00 13.14 H new ATOM 0 HE2 LYS A 26 36.806 5.610 -35.285 1.00 42.23 H new ATOM 0 HE3 LYS A 26 35.373 6.322 -34.569 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 37.907 6.145 -33.457 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 36.494 6.728 -32.718 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 36.931 5.096 -32.545 1.00 4.53 H new ATOM 419 N GLN A 27 30.932 2.419 -32.993 1.00 23.51 N ATOM 420 CA GLN A 27 30.491 1.285 -32.190 1.00 54.41 C ATOM 421 C GLN A 27 29.212 1.621 -31.430 1.00 32.12 C ATOM 422 O GLN A 27 28.722 2.749 -31.488 1.00 31.42 O ATOM 423 CB GLN A 27 31.588 0.871 -31.208 1.00 35.15 C ATOM 424 CG GLN A 27 32.235 2.043 -30.489 1.00 31.13 C ATOM 425 CD GLN A 27 32.923 1.631 -29.202 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.782 0.748 -29.199 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.548 2.269 -28.099 1.00 44.23 N ATOM 0 H GLN A 27 30.322 3.235 -32.942 1.00 23.51 H new ATOM 0 HA GLN A 27 30.284 0.454 -32.864 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.165 0.191 -30.469 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.357 0.317 -31.747 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.962 2.513 -31.151 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.475 2.792 -30.267 1.00 31.13 H new ATOM 0 HE21 GLN A 27 31.832 2.994 -28.148 1.00 44.23 H new ATOM 0 HE22 GLN A 27 32.976 2.034 -27.203 1.00 44.23 H new ATOM 436 N VAL A 28 28.675 0.635 -30.718 1.00 3.05 N ATOM 437 CA VAL A 28 27.454 0.826 -29.946 1.00 24.14 C ATOM 438 C VAL A 28 27.768 1.121 -28.484 1.00 72.01 C ATOM 439 O VAL A 28 28.762 0.636 -27.941 1.00 14.41 O ATOM 440 CB VAL A 28 26.541 -0.411 -30.025 1.00 50.21 C ATOM 441 CG1 VAL A 28 27.166 -1.585 -29.287 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.162 -0.092 -29.465 1.00 44.43 C ATOM 0 H VAL A 28 29.067 -0.305 -30.660 1.00 3.05 H new ATOM 0 HA VAL A 28 26.935 1.680 -30.382 1.00 24.14 H new ATOM 0 HB VAL A 28 26.427 -0.690 -31.072 1.00 50.21 H new ATOM 0 HG11 VAL A 28 26.506 -2.450 -29.354 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.128 -1.827 -29.738 1.00 4.54 H new ATOM 0 HG13 VAL A 28 27.312 -1.320 -28.240 1.00 4.54 H new ATOM 0 HG21 VAL A 28 24.530 -0.978 -29.529 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.254 0.214 -28.423 1.00 44.43 H new ATOM 0 HG23 VAL A 28 24.713 0.717 -30.042 1.00 44.43 H new ATOM 452 N VAL A 29 26.915 1.917 -27.848 1.00 62.35 N ATOM 453 CA VAL A 29 27.100 2.275 -26.448 1.00 73.41 C ATOM 454 C VAL A 29 25.825 2.034 -25.646 1.00 41.43 C ATOM 455 O VAL A 29 24.728 2.423 -26.045 1.00 63.42 O ATOM 456 CB VAL A 29 27.518 3.750 -26.296 1.00 24.34 C ATOM 457 CG1 VAL A 29 27.646 4.119 -24.826 1.00 32.35 C ATOM 458 CG2 VAL A 29 28.821 4.012 -27.035 1.00 63.42 C ATOM 0 H VAL A 29 26.088 2.327 -28.282 1.00 62.35 H new ATOM 0 HA VAL A 29 27.895 1.638 -26.061 1.00 73.41 H new ATOM 0 HB VAL A 29 26.744 4.377 -26.738 1.00 24.34 H new ATOM 0 HG11 VAL A 29 27.942 5.164 -24.738 1.00 32.35 H new ATOM 0 HG12 VAL A 29 26.688 3.970 -24.329 1.00 32.35 H new ATOM 0 HG13 VAL A 29 28.400 3.487 -24.357 1.00 32.35 H new ATOM 0 HG21 VAL A 29 29.102 5.059 -26.917 1.00 63.42 H new ATOM 0 HG22 VAL A 29 29.606 3.377 -26.624 1.00 63.42 H new ATOM 0 HG23 VAL A 29 28.690 3.788 -28.094 1.00 63.42 H new ATOM 468 N PRO A 30 25.972 1.377 -24.486 1.00 73.00 N ATOM 469 CA PRO A 30 24.844 1.071 -23.602 1.00 3.14 C ATOM 470 C PRO A 30 24.272 2.319 -22.937 1.00 71.14 C ATOM 471 O PRO A 30 25.007 3.113 -22.352 1.00 11.03 O ATOM 472 CB PRO A 30 25.457 0.138 -22.554 1.00 20.11 C ATOM 473 CG PRO A 30 26.904 0.487 -22.538 1.00 44.03 C ATOM 474 CD PRO A 30 27.250 0.885 -23.947 1.00 41.22 C ATOM 0 HA PRO A 30 24.008 0.632 -24.146 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.002 0.289 -21.575 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.305 -0.909 -22.818 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.101 1.303 -21.843 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.506 -0.361 -22.213 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.019 1.657 -23.969 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.630 0.040 -24.521 1.00 41.22 H new ATOM 482 N ALA A 31 22.957 2.483 -23.029 1.00 53.34 N ATOM 483 CA ALA A 31 22.287 3.633 -22.434 1.00 43.44 C ATOM 484 C ALA A 31 20.987 3.219 -21.752 1.00 41.51 C ATOM 485 O ALA A 31 20.001 2.898 -22.414 1.00 52.01 O ATOM 486 CB ALA A 31 22.016 4.692 -23.492 1.00 11.05 C ATOM 0 H ALA A 31 22.334 1.834 -23.510 1.00 53.34 H new ATOM 0 HA ALA A 31 22.947 4.054 -21.675 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.515 5.545 -23.033 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.959 5.018 -23.931 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.379 4.273 -24.271 1.00 11.05 H new ATOM 492 N LYS A 32 20.993 3.227 -20.423 1.00 42.21 N ATOM 493 CA LYS A 32 19.815 2.854 -19.650 1.00 42.03 C ATOM 494 C LYS A 32 18.695 3.871 -19.840 1.00 53.43 C ATOM 495 O LYS A 32 18.949 5.056 -20.052 1.00 15.15 O ATOM 496 CB LYS A 32 20.169 2.741 -18.165 1.00 10.13 C ATOM 497 CG LYS A 32 20.707 4.028 -17.567 1.00 15.14 C ATOM 498 CD LYS A 32 21.405 3.780 -16.241 1.00 43.25 C ATOM 499 CE LYS A 32 21.903 5.076 -15.621 1.00 41.14 C ATOM 500 NZ LYS A 32 20.785 5.902 -15.088 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.802 3.488 -19.859 1.00 42.21 H new ATOM 0 HA LYS A 32 19.467 1.886 -20.009 1.00 42.03 H new ATOM 0 HB2 LYS A 32 19.281 2.437 -17.611 1.00 10.13 H new ATOM 0 HB3 LYS A 32 20.911 1.953 -18.036 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.405 4.490 -18.265 1.00 15.14 H new ATOM 0 HG3 LYS A 32 19.888 4.732 -17.421 1.00 15.14 H new ATOM 0 HD2 LYS A 32 20.717 3.288 -15.553 1.00 43.25 H new ATOM 0 HD3 LYS A 32 22.245 3.102 -16.392 1.00 43.25 H new ATOM 0 HE2 LYS A 32 22.602 4.848 -14.816 1.00 41.14 H new ATOM 0 HE3 LYS A 32 22.453 5.648 -16.368 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 21.171 6.726 -14.585 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 20.187 6.226 -15.875 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 20.214 5.332 -14.432 1.00 23.12 H new ATOM 514 N ALA A 33 17.455 3.400 -19.761 1.00 74.42 N ATOM 515 CA ALA A 33 16.295 4.270 -19.921 1.00 62.44 C ATOM 516 C ALA A 33 15.292 4.060 -18.791 1.00 33.43 C ATOM 517 O ALA A 33 14.799 2.951 -18.584 1.00 52.11 O ATOM 518 CB ALA A 33 15.634 4.024 -21.269 1.00 44.12 C ATOM 0 H ALA A 33 17.227 2.421 -19.587 1.00 74.42 H new ATOM 0 HA ALA A 33 16.638 5.304 -19.880 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.770 4.680 -21.376 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.347 4.231 -22.067 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.311 2.985 -21.332 1.00 44.12 H new ATOM 524 N VAL A 34 14.996 5.131 -18.064 1.00 63.33 N ATOM 525 CA VAL A 34 14.050 5.065 -16.955 1.00 45.44 C ATOM 526 C VAL A 34 12.626 5.333 -17.430 1.00 54.42 C ATOM 527 O VAL A 34 12.413 6.030 -18.422 1.00 75.20 O ATOM 528 CB VAL A 34 14.410 6.075 -15.850 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.215 7.501 -16.343 1.00 2.34 C ATOM 530 CG2 VAL A 34 13.581 5.817 -14.602 1.00 72.31 C ATOM 0 H VAL A 34 15.397 6.056 -18.222 1.00 63.33 H new ATOM 0 HA VAL A 34 14.110 4.056 -16.548 1.00 45.44 H new ATOM 0 HB VAL A 34 15.462 5.946 -15.594 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.475 8.200 -15.548 1.00 2.34 H new ATOM 0 HG12 VAL A 34 14.857 7.679 -17.206 1.00 2.34 H new ATOM 0 HG13 VAL A 34 13.174 7.648 -16.629 1.00 2.34 H new ATOM 0 HG21 VAL A 34 13.849 6.540 -13.832 1.00 72.31 H new ATOM 0 HG22 VAL A 34 12.522 5.917 -14.841 1.00 72.31 H new ATOM 0 HG23 VAL A 34 13.777 4.809 -14.237 1.00 72.31 H new ATOM 540 N CYS A 35 11.655 4.778 -16.713 1.00 52.54 N ATOM 541 CA CYS A 35 10.251 4.956 -17.062 1.00 31.55 C ATOM 542 C CYS A 35 9.921 6.433 -17.248 1.00 12.13 C ATOM 543 O CYS A 35 9.931 7.209 -16.293 1.00 51.25 O ATOM 544 CB CYS A 35 9.354 4.354 -15.978 1.00 11.41 C ATOM 545 SG CYS A 35 9.786 4.862 -14.297 1.00 13.12 S ATOM 0 H CYS A 35 11.815 4.201 -15.887 1.00 52.54 H new ATOM 0 HA CYS A 35 10.068 4.439 -18.004 1.00 31.55 H new ATOM 0 HB2 CYS A 35 8.321 4.638 -16.178 1.00 11.41 H new ATOM 0 HB3 CYS A 35 9.404 3.267 -16.042 1.00 11.41 H new ATOM 0 HG CYS A 35 10.052 6.134 -14.283 1.00 13.12 H new ATOM 551 N GLY A 36 9.630 6.819 -18.487 1.00 33.13 N ATOM 552 CA GLY A 36 9.302 8.202 -18.777 1.00 22.01 C ATOM 553 C GLY A 36 10.478 8.967 -19.354 1.00 2.31 C ATOM 554 O GLY A 36 10.458 10.196 -19.412 1.00 12.12 O ATOM 0 H GLY A 36 9.616 6.197 -19.295 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.470 8.235 -19.481 1.00 22.01 H new ATOM 0 HA3 GLY A 36 8.966 8.692 -17.863 1.00 22.01 H new ATOM 558 N SER A 37 11.505 8.239 -19.779 1.00 14.13 N ATOM 559 CA SER A 37 12.697 8.856 -20.348 1.00 31.10 C ATOM 560 C SER A 37 12.608 8.906 -21.870 1.00 73.20 C ATOM 561 O SER A 37 11.617 8.477 -22.462 1.00 73.03 O ATOM 562 CB SER A 37 13.949 8.087 -19.923 1.00 61.42 C ATOM 563 OG SER A 37 14.146 6.944 -20.737 1.00 54.42 O ATOM 0 H SER A 37 11.536 7.220 -19.740 1.00 14.13 H new ATOM 0 HA SER A 37 12.763 9.877 -19.971 1.00 31.10 H new ATOM 0 HB2 SER A 37 14.820 8.739 -19.989 1.00 61.42 H new ATOM 0 HB3 SER A 37 13.857 7.783 -18.880 1.00 61.42 H new ATOM 0 HG SER A 37 13.629 6.193 -20.378 1.00 54.42 H new ATOM 569 N THR A 38 13.655 9.431 -22.501 1.00 25.44 N ATOM 570 CA THR A 38 13.697 9.538 -23.954 1.00 13.34 C ATOM 571 C THR A 38 15.116 9.349 -24.478 1.00 44.22 C ATOM 572 O THR A 38 16.087 9.505 -23.737 1.00 73.14 O ATOM 573 CB THR A 38 13.162 10.901 -24.432 1.00 44.44 C ATOM 574 OG1 THR A 38 13.365 11.891 -23.418 1.00 11.42 O ATOM 575 CG2 THR A 38 11.682 10.812 -24.772 1.00 11.40 C ATOM 0 H THR A 38 14.485 9.789 -22.028 1.00 25.44 H new ATOM 0 HA THR A 38 13.059 8.747 -24.348 1.00 13.34 H new ATOM 0 HB THR A 38 13.709 11.186 -25.331 1.00 44.44 H new ATOM 0 HG1 THR A 38 13.024 12.755 -23.731 1.00 11.42 H new ATOM 0 HG21 THR A 38 11.326 11.786 -25.107 1.00 11.40 H new ATOM 0 HG22 THR A 38 11.534 10.079 -25.565 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.123 10.506 -23.887 1.00 11.40 H new ATOM 583 N VAL A 39 15.229 9.014 -25.759 1.00 70.42 N ATOM 584 CA VAL A 39 16.530 8.805 -26.383 1.00 33.14 C ATOM 585 C VAL A 39 17.395 10.057 -26.280 1.00 42.12 C ATOM 586 O VAL A 39 18.577 9.982 -25.943 1.00 10.21 O ATOM 587 CB VAL A 39 16.386 8.415 -27.866 1.00 65.42 C ATOM 588 CG1 VAL A 39 15.808 7.014 -27.995 1.00 4.01 C ATOM 589 CG2 VAL A 39 15.521 9.428 -28.601 1.00 35.23 C ATOM 0 H VAL A 39 14.435 8.881 -26.385 1.00 70.42 H new ATOM 0 HA VAL A 39 17.011 7.988 -25.846 1.00 33.14 H new ATOM 0 HB VAL A 39 17.376 8.417 -28.323 1.00 65.42 H new ATOM 0 HG11 VAL A 39 15.713 6.755 -29.050 1.00 4.01 H new ATOM 0 HG12 VAL A 39 16.470 6.301 -27.504 1.00 4.01 H new ATOM 0 HG13 VAL A 39 14.826 6.981 -27.524 1.00 4.01 H new ATOM 0 HG21 VAL A 39 15.430 9.137 -29.648 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.531 9.460 -28.146 1.00 35.23 H new ATOM 0 HG23 VAL A 39 15.982 10.414 -28.537 1.00 35.23 H new ATOM 599 N LEU A 40 16.798 11.207 -26.573 1.00 4.40 N ATOM 600 CA LEU A 40 17.514 12.478 -26.513 1.00 4.13 C ATOM 601 C LEU A 40 17.898 12.820 -25.077 1.00 3.52 C ATOM 602 O LEU A 40 18.964 13.382 -24.826 1.00 65.40 O ATOM 603 CB LEU A 40 16.656 13.597 -27.105 1.00 11.34 C ATOM 604 CG LEU A 40 16.721 13.761 -28.623 1.00 34.30 C ATOM 605 CD1 LEU A 40 15.843 12.726 -29.309 1.00 31.55 C ATOM 606 CD2 LEU A 40 16.303 15.168 -29.026 1.00 22.30 C ATOM 0 H LEU A 40 15.821 11.286 -26.854 1.00 4.40 H new ATOM 0 HA LEU A 40 18.428 12.380 -27.099 1.00 4.13 H new ATOM 0 HB2 LEU A 40 15.618 13.420 -26.823 1.00 11.34 H new ATOM 0 HB3 LEU A 40 16.955 14.539 -26.645 1.00 11.34 H new ATOM 0 HG LEU A 40 17.751 13.604 -28.943 1.00 34.30 H new ATOM 0 HD11 LEU A 40 15.902 12.858 -30.389 1.00 31.55 H new ATOM 0 HD12 LEU A 40 16.187 11.726 -29.046 1.00 31.55 H new ATOM 0 HD13 LEU A 40 14.810 12.852 -28.984 1.00 31.55 H new ATOM 0 HD21 LEU A 40 16.355 15.267 -30.110 1.00 22.30 H new ATOM 0 HD22 LEU A 40 15.282 15.353 -28.694 1.00 22.30 H new ATOM 0 HD23 LEU A 40 16.972 15.893 -28.563 1.00 22.30 H new ATOM 618 N ASP A 41 17.023 12.475 -24.138 1.00 72.45 N ATOM 619 CA ASP A 41 17.271 12.741 -22.726 1.00 42.14 C ATOM 620 C ASP A 41 18.344 11.807 -22.177 1.00 25.23 C ATOM 621 O ASP A 41 19.048 12.145 -21.226 1.00 10.41 O ATOM 622 CB ASP A 41 15.980 12.587 -21.921 1.00 13.44 C ATOM 623 CG ASP A 41 16.152 12.983 -20.468 1.00 24.42 C ATOM 624 OD1 ASP A 41 16.373 14.184 -20.203 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.064 12.094 -19.597 1.00 64.23 O1- ATOM 0 H ASP A 41 16.135 12.010 -24.330 1.00 72.45 H new ATOM 0 HA ASP A 41 17.627 13.767 -22.632 1.00 42.14 H new ATOM 0 HB2 ASP A 41 15.199 13.200 -22.371 1.00 13.44 H new ATOM 0 HB3 ASP A 41 15.643 11.552 -21.975 1.00 13.44 H new ATOM 630 N VAL A 42 18.461 10.628 -22.781 1.00 2.11 N ATOM 631 CA VAL A 42 19.447 9.644 -22.352 1.00 13.25 C ATOM 632 C VAL A 42 20.842 10.015 -22.843 1.00 11.24 C ATOM 633 O VAL A 42 21.799 10.033 -22.068 1.00 54.34 O ATOM 634 CB VAL A 42 19.092 8.235 -22.863 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.227 7.263 -22.578 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.795 7.751 -22.233 1.00 61.21 C ATOM 0 H VAL A 42 17.885 10.332 -23.569 1.00 2.11 H new ATOM 0 HA VAL A 42 19.438 9.640 -21.262 1.00 13.25 H new ATOM 0 HB VAL A 42 18.949 8.284 -23.942 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.959 6.273 -22.946 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.132 7.604 -23.080 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.404 7.215 -21.504 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.559 6.754 -22.605 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.908 7.716 -21.149 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.987 8.435 -22.492 1.00 61.21 H new ATOM 646 N ALA A 43 20.950 10.309 -24.133 1.00 21.42 N ATOM 647 CA ALA A 43 22.228 10.682 -24.728 1.00 20.42 C ATOM 648 C ALA A 43 22.880 11.825 -23.956 1.00 42.52 C ATOM 649 O ALA A 43 24.105 11.952 -23.932 1.00 14.32 O ATOM 650 CB ALA A 43 22.040 11.068 -26.188 1.00 62.22 C ATOM 0 H ALA A 43 20.168 10.296 -24.788 1.00 21.42 H new ATOM 0 HA ALA A 43 22.890 9.818 -24.676 1.00 20.42 H new ATOM 0 HB1 ALA A 43 23.003 11.344 -26.618 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.626 10.223 -26.737 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.357 11.914 -26.255 1.00 62.22 H new ATOM 656 N HIS A 44 22.054 12.655 -23.328 1.00 12.51 N ATOM 657 CA HIS A 44 22.550 13.788 -22.555 1.00 50.24 C ATOM 658 C HIS A 44 23.255 13.314 -21.288 1.00 54.31 C ATOM 659 O HIS A 44 24.227 13.925 -20.840 1.00 12.45 O ATOM 660 CB HIS A 44 21.400 14.727 -22.191 1.00 75.20 C ATOM 661 CG HIS A 44 21.851 16.019 -21.581 1.00 61.53 C ATOM 662 ND1 HIS A 44 22.601 16.953 -22.266 1.00 44.12 N ATOM 663 CD2 HIS A 44 21.653 16.530 -20.344 1.00 13.23 C ATOM 664 CE1 HIS A 44 22.846 17.981 -21.474 1.00 32.52 C ATOM 665 NE2 HIS A 44 22.281 17.751 -20.303 1.00 53.52 N ATOM 0 H HIS A 44 21.038 12.564 -23.339 1.00 12.51 H new ATOM 0 HA HIS A 44 23.270 14.328 -23.170 1.00 50.24 H new ATOM 0 HB2 HIS A 44 20.819 14.942 -23.088 1.00 75.20 H new ATOM 0 HB3 HIS A 44 20.734 14.219 -21.494 1.00 75.20 H new ATOM 0 HD2 HIS A 44 21.104 16.065 -19.539 1.00 13.23 H new ATOM 0 HE1 HIS A 44 23.413 18.861 -21.739 1.00 32.52 H new ATOM 0 HE2 HIS A 44 22.307 18.378 -19.499 1.00 53.52 H new ATOM 673 N LYS A 45 22.761 12.223 -20.715 1.00 13.22 N ATOM 674 CA LYS A 45 23.345 11.665 -19.500 1.00 44.10 C ATOM 675 C LYS A 45 24.479 10.703 -19.832 1.00 71.53 C ATOM 676 O LYS A 45 25.489 10.652 -19.130 1.00 73.03 O ATOM 677 CB LYS A 45 22.273 10.943 -18.680 1.00 74.53 C ATOM 678 CG LYS A 45 20.972 11.718 -18.563 1.00 40.45 C ATOM 679 CD LYS A 45 21.161 13.015 -17.795 1.00 63.15 C ATOM 680 CE LYS A 45 21.132 12.781 -16.292 1.00 32.12 C ATOM 681 NZ LYS A 45 19.740 12.660 -15.776 1.00 61.40 N1+ ATOM 0 H LYS A 45 21.957 11.707 -21.072 1.00 13.22 H new ATOM 0 HA LYS A 45 23.752 12.488 -18.912 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.069 9.974 -19.137 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.662 10.749 -17.680 1.00 74.53 H new ATOM 0 HG2 LYS A 45 20.587 11.937 -19.559 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.225 11.103 -18.061 1.00 40.45 H new ATOM 0 HD2 LYS A 45 22.111 13.470 -18.075 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.376 13.720 -18.070 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.687 11.873 -16.055 1.00 32.12 H new ATOM 0 HE3 LYS A 45 21.636 13.604 -15.786 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 19.763 12.501 -14.748 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 19.217 13.536 -15.979 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 19.266 11.858 -16.239 1.00 61.40 H new ATOM 695 N ASN A 46 24.308 9.942 -20.909 1.00 44.51 N ATOM 696 CA ASN A 46 25.320 8.982 -21.335 1.00 43.23 C ATOM 697 C ASN A 46 26.532 9.695 -21.927 1.00 15.11 C ATOM 698 O ASN A 46 27.640 9.161 -21.927 1.00 20.00 O ATOM 699 CB ASN A 46 24.732 8.012 -22.361 1.00 55.02 C ATOM 700 CG ASN A 46 24.136 6.776 -21.715 1.00 74.42 C ATOM 701 OD1 ASN A 46 24.614 5.661 -21.924 1.00 22.42 O ATOM 702 ND2 ASN A 46 23.087 6.969 -20.924 1.00 50.43 N ATOM 0 H ASN A 46 23.479 9.972 -21.502 1.00 44.51 H new ATOM 0 HA ASN A 46 25.644 8.421 -20.459 1.00 43.23 H new ATOM 0 HB2 ASN A 46 23.962 8.523 -22.940 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.511 7.712 -23.061 1.00 55.02 H new ATOM 0 HD21 ASN A 46 22.644 6.175 -20.461 1.00 50.43 H new ATOM 0 HD22 ASN A 46 22.724 7.911 -20.779 1.00 50.43 H new ATOM 709 N GLY A 47 26.311 10.904 -22.432 1.00 71.54 N ATOM 710 CA GLY A 47 27.393 11.671 -23.022 1.00 65.12 C ATOM 711 C GLY A 47 27.506 11.460 -24.518 1.00 62.25 C ATOM 712 O GLY A 47 28.218 12.195 -25.204 1.00 22.30 O ATOM 0 H GLY A 47 25.402 11.367 -22.443 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.236 12.730 -22.819 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.333 11.391 -22.547 1.00 65.12 H new ATOM 716 N VAL A 48 26.803 10.453 -25.027 1.00 31.22 N ATOM 717 CA VAL A 48 26.827 10.148 -26.452 1.00 41.02 C ATOM 718 C VAL A 48 26.531 11.388 -27.286 1.00 3.44 C ATOM 719 O VAL A 48 25.563 12.105 -27.029 1.00 22.32 O ATOM 720 CB VAL A 48 25.808 9.049 -26.809 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.904 8.689 -28.283 1.00 23.24 C ATOM 722 CG2 VAL A 48 26.025 7.820 -25.936 1.00 32.44 C ATOM 0 H VAL A 48 26.210 9.835 -24.473 1.00 31.22 H new ATOM 0 HA VAL A 48 27.831 9.791 -26.681 1.00 41.02 H new ATOM 0 HB VAL A 48 24.805 9.431 -26.619 1.00 34.34 H new ATOM 0 HG11 VAL A 48 25.177 7.911 -28.516 1.00 23.24 H new ATOM 0 HG12 VAL A 48 25.697 9.572 -28.887 1.00 23.24 H new ATOM 0 HG13 VAL A 48 26.907 8.325 -28.504 1.00 23.24 H new ATOM 0 HG21 VAL A 48 25.297 7.053 -26.200 1.00 32.44 H new ATOM 0 HG22 VAL A 48 27.032 7.435 -26.094 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.901 8.092 -24.888 1.00 32.44 H new ATOM 732 N ASP A 49 27.369 11.638 -28.285 1.00 40.14 N ATOM 733 CA ASP A 49 27.197 12.792 -29.160 1.00 14.22 C ATOM 734 C ASP A 49 25.999 12.599 -30.084 1.00 34.02 C ATOM 735 O ASP A 49 26.153 12.215 -31.245 1.00 75.21 O ATOM 736 CB ASP A 49 28.462 13.028 -29.985 1.00 52.55 C ATOM 737 CG ASP A 49 28.303 14.162 -30.978 1.00 23.12 C ATOM 738 OD1 ASP A 49 27.995 13.883 -32.156 1.00 1.55 O ATOM 739 OD2 ASP A 49 28.486 15.331 -30.577 1.00 61.21 O1- ATOM 0 H ASP A 49 28.176 11.056 -28.510 1.00 40.14 H new ATOM 0 HA ASP A 49 27.014 13.666 -28.535 1.00 14.22 H new ATOM 0 HB2 ASP A 49 29.293 13.249 -29.315 1.00 52.55 H new ATOM 0 HB3 ASP A 49 28.719 12.114 -30.520 1.00 52.55 H new ATOM 744 N LEU A 50 24.807 12.867 -29.564 1.00 12.10 N ATOM 745 CA LEU A 50 23.582 12.721 -30.343 1.00 14.20 C ATOM 746 C LEU A 50 23.421 13.877 -31.325 1.00 31.24 C ATOM 747 O LEU A 50 23.553 15.043 -30.953 1.00 24.23 O ATOM 748 CB LEU A 50 22.368 12.655 -29.413 1.00 11.15 C ATOM 749 CG LEU A 50 21.164 11.872 -29.937 1.00 12.15 C ATOM 750 CD1 LEU A 50 20.605 12.527 -31.191 1.00 70.43 C ATOM 751 CD2 LEU A 50 21.548 10.426 -30.215 1.00 5.33 C ATOM 0 H LEU A 50 24.662 13.187 -28.606 1.00 12.10 H new ATOM 0 HA LEU A 50 23.649 11.793 -30.910 1.00 14.20 H new ATOM 0 HB2 LEU A 50 22.682 12.210 -28.469 1.00 11.15 H new ATOM 0 HB3 LEU A 50 22.047 13.673 -29.195 1.00 11.15 H new ATOM 0 HG LEU A 50 20.389 11.881 -29.171 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.749 11.955 -31.549 1.00 70.43 H new ATOM 0 HD12 LEU A 50 20.291 13.545 -30.961 1.00 70.43 H new ATOM 0 HD13 LEU A 50 21.374 12.550 -31.963 1.00 70.43 H new ATOM 0 HD21 LEU A 50 20.679 9.884 -30.587 1.00 5.33 H new ATOM 0 HD22 LEU A 50 22.341 10.397 -30.962 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.900 9.960 -29.295 1.00 5.33 H new ATOM 905 N CYS A 63 15.196 15.276 -38.238 1.00 12.42 N ATOM 906 CA CYS A 63 14.514 14.262 -37.445 1.00 3.52 C ATOM 907 C CYS A 63 14.441 12.938 -38.200 1.00 2.45 C ATOM 908 O CYS A 63 13.408 12.596 -38.777 1.00 4.13 O ATOM 909 CB CYS A 63 13.104 14.732 -37.081 1.00 25.53 C ATOM 910 SG CYS A 63 13.023 15.728 -35.558 1.00 22.10 S ATOM 0 HA CYS A 63 15.086 14.107 -36.530 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.703 15.318 -37.908 1.00 25.53 H new ATOM 0 HB3 CYS A 63 12.460 13.860 -36.967 1.00 25.53 H new ATOM 0 HG CYS A 63 12.185 15.183 -34.727 1.00 22.10 H new ATOM 915 N HIS A 64 15.543 12.197 -38.191 1.00 63.44 N ATOM 916 CA HIS A 64 15.605 10.909 -38.875 1.00 3.42 C ATOM 917 C HIS A 64 16.775 10.076 -38.360 1.00 30.22 C ATOM 918 O HIS A 64 17.937 10.415 -38.582 1.00 61.33 O ATOM 919 CB HIS A 64 15.735 11.115 -40.384 1.00 52.43 C ATOM 920 CG HIS A 64 16.883 11.996 -40.772 1.00 13.30 C ATOM 921 ND1 HIS A 64 18.106 11.504 -41.177 1.00 62.35 N ATOM 922 CD2 HIS A 64 16.988 13.345 -40.816 1.00 65.44 C ATOM 923 CE1 HIS A 64 18.914 12.512 -41.452 1.00 13.15 C ATOM 924 NE2 HIS A 64 18.259 13.640 -41.241 1.00 23.12 N ATOM 0 H HIS A 64 16.406 12.465 -37.718 1.00 63.44 H new ATOM 0 HA HIS A 64 14.680 10.371 -38.668 1.00 3.42 H new ATOM 0 HB2 HIS A 64 15.853 10.145 -40.866 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.810 11.549 -40.764 1.00 52.43 H new ATOM 0 HD2 HIS A 64 16.216 14.056 -40.564 1.00 65.44 H new ATOM 0 HE1 HIS A 64 19.936 12.428 -41.791 1.00 13.15 H new ATOM 0 HE2 HIS A 64 18.637 14.578 -41.373 1.00 23.12 H new ATOM 932 N VAL A 65 16.459 8.984 -37.672 1.00 61.11 N ATOM 933 CA VAL A 65 17.484 8.101 -37.126 1.00 32.34 C ATOM 934 C VAL A 65 17.227 6.651 -37.520 1.00 22.50 C ATOM 935 O VAL A 65 16.099 6.274 -37.837 1.00 34.33 O ATOM 936 CB VAL A 65 17.550 8.200 -35.590 1.00 11.13 C ATOM 937 CG1 VAL A 65 16.327 7.551 -34.960 1.00 72.25 C ATOM 938 CG2 VAL A 65 18.829 7.563 -35.070 1.00 23.01 C ATOM 0 H VAL A 65 15.502 8.689 -37.479 1.00 61.11 H new ATOM 0 HA VAL A 65 18.437 8.425 -37.545 1.00 32.34 H new ATOM 0 HB VAL A 65 17.557 9.254 -35.311 1.00 11.13 H new ATOM 0 HG11 VAL A 65 16.391 7.631 -33.875 1.00 72.25 H new ATOM 0 HG12 VAL A 65 15.427 8.057 -35.308 1.00 72.25 H new ATOM 0 HG13 VAL A 65 16.286 6.500 -35.245 1.00 72.25 H new ATOM 0 HG21 VAL A 65 18.859 7.642 -33.983 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.855 6.512 -35.358 1.00 23.01 H new ATOM 0 HG23 VAL A 65 19.691 8.078 -35.495 1.00 23.01 H new ATOM 948 N ILE A 66 18.282 5.843 -37.498 1.00 21.12 N ATOM 949 CA ILE A 66 18.171 4.433 -37.852 1.00 32.41 C ATOM 950 C ILE A 66 17.851 3.583 -36.627 1.00 54.10 C ATOM 951 O ILE A 66 18.484 3.720 -35.580 1.00 14.31 O ATOM 952 CB ILE A 66 19.466 3.912 -38.501 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.831 4.763 -39.719 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.309 2.451 -38.897 1.00 64.43 C ATOM 955 CD1 ILE A 66 21.222 5.355 -39.647 1.00 62.21 C ATOM 0 H ILE A 66 19.223 6.140 -37.239 1.00 21.12 H new ATOM 0 HA ILE A 66 17.356 4.351 -38.571 1.00 32.41 H new ATOM 0 HB ILE A 66 20.275 3.987 -37.774 1.00 13.50 H new ATOM 0 HG12 ILE A 66 19.751 4.151 -40.617 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.106 5.571 -39.819 1.00 41.34 H new ATOM 0 HG21 ILE A 66 20.233 2.097 -39.355 1.00 64.43 H new ATOM 0 HG22 ILE A 66 19.091 1.855 -38.011 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.490 2.353 -39.610 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.413 5.946 -40.543 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.300 5.994 -38.768 1.00 62.21 H new ATOM 0 HD13 ILE A 66 21.956 4.552 -39.579 1.00 62.21 H new ATOM 967 N LEU A 67 16.866 2.702 -36.766 1.00 62.31 N ATOM 968 CA LEU A 67 16.462 1.827 -35.672 1.00 64.04 C ATOM 969 C LEU A 67 16.453 0.367 -36.116 1.00 12.11 C ATOM 970 O LEU A 67 16.394 0.073 -37.310 1.00 61.41 O ATOM 971 CB LEU A 67 15.077 2.223 -35.159 1.00 53.02 C ATOM 972 CG LEU A 67 14.638 1.578 -33.845 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.599 1.942 -32.723 1.00 12.14 C ATOM 974 CD2 LEU A 67 13.219 2.000 -33.490 1.00 10.33 C ATOM 0 H LEU A 67 16.333 2.575 -37.626 1.00 62.31 H new ATOM 0 HA LEU A 67 17.187 1.938 -34.866 1.00 64.04 H new ATOM 0 HB2 LEU A 67 15.054 3.306 -35.035 1.00 53.02 H new ATOM 0 HB3 LEU A 67 14.343 1.974 -35.926 1.00 53.02 H new ATOM 0 HG LEU A 67 14.653 0.496 -33.973 1.00 54.25 H new ATOM 0 HD11 LEU A 67 15.270 1.473 -31.796 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.600 1.589 -32.972 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.617 3.024 -32.596 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.924 1.531 -32.551 1.00 10.33 H new ATOM 0 HD22 LEU A 67 13.178 3.084 -33.382 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.538 1.688 -34.282 1.00 10.33 H new ATOM 986 N GLU A 68 16.512 -0.542 -35.148 1.00 71.02 N ATOM 987 CA GLU A 68 16.510 -1.970 -35.441 1.00 2.24 C ATOM 988 C GLU A 68 15.469 -2.305 -36.506 1.00 45.14 C ATOM 989 O GLU A 68 14.379 -1.734 -36.523 1.00 70.41 O ATOM 990 CB GLU A 68 16.231 -2.774 -34.169 1.00 2.12 C ATOM 991 CG GLU A 68 17.361 -3.713 -33.784 1.00 61.11 C ATOM 992 CD GLU A 68 17.002 -5.172 -33.988 1.00 60.41 C ATOM 993 OE1 GLU A 68 17.442 -5.755 -35.002 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.281 -5.732 -33.135 1.00 54.52 O1- ATOM 0 H GLU A 68 16.562 -0.315 -34.155 1.00 71.02 H new ATOM 0 HA GLU A 68 17.495 -2.238 -35.823 1.00 2.24 H new ATOM 0 HB2 GLU A 68 16.047 -2.084 -33.346 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.319 -3.354 -34.309 1.00 2.12 H new ATOM 0 HG2 GLU A 68 18.245 -3.474 -34.376 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.624 -3.550 -32.739 1.00 61.11 H new ATOM 1001 N GLU A 69 15.814 -3.234 -37.391 1.00 22.44 N ATOM 1002 CA GLU A 69 14.910 -3.644 -38.459 1.00 73.04 C ATOM 1003 C GLU A 69 13.589 -4.152 -37.888 1.00 43.43 C ATOM 1004 O GLU A 69 12.516 -3.620 -38.173 1.00 23.14 O ATOM 1005 CB GLU A 69 15.560 -4.732 -39.317 1.00 71.35 C ATOM 1006 CG GLU A 69 15.765 -4.324 -40.766 1.00 42.54 C ATOM 1007 CD GLU A 69 16.040 -5.506 -41.673 1.00 13.13 C ATOM 1008 OE1 GLU A 69 15.066 -6.144 -42.127 1.00 54.15 O ATOM 1009 OE2 GLU A 69 17.227 -5.795 -41.928 1.00 42.34 O1- ATOM 0 H GLU A 69 16.712 -3.717 -37.390 1.00 22.44 H new ATOM 0 HA GLU A 69 14.706 -2.774 -39.082 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.524 -4.997 -38.883 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.939 -5.627 -39.285 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.878 -3.798 -41.120 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.597 -3.623 -40.827 1.00 42.54 H new ATOM 1016 N PRO A 70 13.668 -5.208 -37.065 1.00 54.22 N ATOM 1017 CA PRO A 70 12.488 -5.811 -36.438 1.00 20.10 C ATOM 1018 C PRO A 70 11.868 -4.907 -35.378 1.00 1.22 C ATOM 1019 O PRO A 70 10.657 -4.680 -35.372 1.00 33.25 O ATOM 1020 CB PRO A 70 13.041 -7.086 -35.795 1.00 54.11 C ATOM 1021 CG PRO A 70 14.484 -6.796 -35.559 1.00 53.54 C ATOM 1022 CD PRO A 70 14.913 -5.893 -36.682 1.00 23.21 C ATOM 0 HA PRO A 70 11.691 -5.991 -37.159 1.00 20.10 H new ATOM 0 HB2 PRO A 70 12.525 -7.315 -34.862 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.912 -7.948 -36.450 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.632 -6.314 -34.592 1.00 53.54 H new ATOM 0 HG3 PRO A 70 15.071 -7.715 -35.551 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.677 -5.186 -36.359 1.00 23.21 H new ATOM 0 HD3 PRO A 70 15.333 -6.458 -37.514 1.00 23.21 H new ATOM 1030 N LEU A 71 12.704 -4.392 -34.483 1.00 73.21 N ATOM 1031 CA LEU A 71 12.237 -3.511 -33.418 1.00 71.13 C ATOM 1032 C LEU A 71 11.394 -2.373 -33.984 1.00 14.24 C ATOM 1033 O LEU A 71 10.346 -2.032 -33.436 1.00 22.31 O ATOM 1034 CB LEU A 71 13.427 -2.942 -32.643 1.00 11.33 C ATOM 1035 CG LEU A 71 13.111 -2.344 -31.272 1.00 51.51 C ATOM 1036 CD1 LEU A 71 13.671 -3.221 -30.164 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.663 -0.929 -31.167 1.00 52.41 C ATOM 0 H LEU A 71 13.708 -4.569 -34.474 1.00 73.21 H new ATOM 0 HA LEU A 71 11.616 -4.097 -32.741 1.00 71.13 H new ATOM 0 HB2 LEU A 71 14.162 -3.736 -32.510 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.898 -2.171 -33.254 1.00 11.33 H new ATOM 0 HG LEU A 71 12.028 -2.299 -31.158 1.00 51.51 H new ATOM 0 HD11 LEU A 71 13.436 -2.779 -29.196 1.00 70.15 H new ATOM 0 HD12 LEU A 71 13.227 -4.214 -30.227 1.00 70.15 H new ATOM 0 HD13 LEU A 71 14.753 -3.300 -30.274 1.00 70.15 H new ATOM 0 HD21 LEU A 71 13.429 -0.519 -30.185 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.744 -0.949 -31.303 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.212 -0.304 -31.938 1.00 52.41 H new ATOM 1049 N TYR A 72 11.856 -1.791 -35.085 1.00 23.13 N ATOM 1050 CA TYR A 72 11.144 -0.692 -35.725 1.00 72.33 C ATOM 1051 C TYR A 72 9.870 -1.188 -36.401 1.00 64.33 C ATOM 1052 O TYR A 72 8.785 -0.650 -36.178 1.00 54.01 O ATOM 1053 CB TYR A 72 12.045 -0.003 -36.752 1.00 62.53 C ATOM 1054 CG TYR A 72 11.430 1.239 -37.359 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.644 1.161 -38.501 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.639 2.489 -36.792 1.00 33.42 C ATOM 1057 CE1 TYR A 72 10.081 2.292 -39.060 1.00 74.45 C ATOM 1058 CE2 TYR A 72 11.079 3.626 -37.342 1.00 12.54 C ATOM 1059 CZ TYR A 72 10.301 3.523 -38.477 1.00 14.41 C ATOM 1060 OH TYR A 72 9.744 4.652 -39.030 1.00 23.11 O ATOM 0 H TYR A 72 12.721 -2.062 -35.553 1.00 23.13 H new ATOM 0 HA TYR A 72 10.867 0.027 -34.953 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.988 0.264 -36.275 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.280 -0.709 -37.549 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.470 0.199 -38.960 1.00 13.23 H new ATOM 0 HD2 TYR A 72 12.250 2.574 -35.906 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.472 2.213 -39.948 1.00 74.45 H new ATOM 0 HE2 TYR A 72 11.249 4.590 -36.886 1.00 12.54 H new ATOM 0 HH TYR A 72 10.358 5.407 -38.920 1.00 23.11 H new ATOM 1070 N ARG A 73 10.009 -2.219 -37.228 1.00 65.44 N ATOM 1071 CA ARG A 73 8.871 -2.789 -37.937 1.00 14.13 C ATOM 1072 C ARG A 73 7.756 -3.161 -36.965 1.00 11.43 C ATOM 1073 O ARG A 73 6.572 -3.036 -37.284 1.00 2.21 O ATOM 1074 CB ARG A 73 9.303 -4.023 -38.732 1.00 24.52 C ATOM 1075 CG ARG A 73 8.674 -4.111 -40.113 1.00 20.20 C ATOM 1076 CD ARG A 73 9.719 -3.977 -41.210 1.00 62.31 C ATOM 1077 NE ARG A 73 9.110 -3.764 -42.520 1.00 14.20 N ATOM 1078 CZ ARG A 73 8.520 -4.724 -43.221 1.00 65.04 C ATOM 1079 NH1 ARG A 73 8.457 -5.958 -42.740 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 7.990 -4.453 -44.407 1.00 13.35 N ATOM 0 H ARG A 73 10.899 -2.677 -37.423 1.00 65.44 H new ATOM 0 HA ARG A 73 8.491 -2.036 -38.628 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.388 -4.016 -38.836 1.00 24.52 H new ATOM 0 HB3 ARG A 73 9.043 -4.918 -38.166 1.00 24.52 H new ATOM 0 HG2 ARG A 73 8.155 -5.064 -40.218 1.00 20.20 H new ATOM 0 HG3 ARG A 73 7.926 -3.326 -40.224 1.00 20.20 H new ATOM 0 HD2 ARG A 73 10.383 -3.144 -40.979 1.00 62.31 H new ATOM 0 HD3 ARG A 73 10.334 -4.877 -41.238 1.00 62.31 H new ATOM 0 HE ARG A 73 9.140 -2.825 -42.918 1.00 14.20 H new ATOM 0 HH11 ARG A 73 8.863 -6.172 -41.829 1.00 12.32 H new ATOM 0 HH12 ARG A 73 8.003 -6.694 -43.281 1.00 12.32 H new ATOM 0 HH21 ARG A 73 8.036 -3.505 -44.781 1.00 13.35 H new ATOM 0 HH22 ARG A 73 7.537 -5.192 -44.944 1.00 13.35 H new ATOM 1094 N LYS A 74 8.139 -3.618 -35.779 1.00 33.12 N ATOM 1095 CA LYS A 74 7.173 -4.008 -34.759 1.00 31.02 C ATOM 1096 C LYS A 74 6.596 -2.782 -34.060 1.00 63.21 C ATOM 1097 O LYS A 74 5.398 -2.720 -33.782 1.00 75.00 O ATOM 1098 CB LYS A 74 7.830 -4.933 -33.731 1.00 65.31 C ATOM 1099 CG LYS A 74 7.901 -6.384 -34.176 1.00 40.52 C ATOM 1100 CD LYS A 74 7.865 -7.332 -32.989 1.00 34.44 C ATOM 1101 CE LYS A 74 7.319 -8.696 -33.383 1.00 41.15 C ATOM 1102 NZ LYS A 74 5.834 -8.689 -33.496 1.00 30.01 N1+ ATOM 0 H LYS A 74 9.114 -3.728 -35.499 1.00 33.12 H new ATOM 0 HA LYS A 74 6.359 -4.541 -35.250 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.839 -4.575 -33.525 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.274 -4.875 -32.795 1.00 65.31 H new ATOM 0 HG2 LYS A 74 7.067 -6.602 -34.843 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.816 -6.547 -34.746 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.870 -7.445 -32.581 1.00 34.44 H new ATOM 0 HD3 LYS A 74 7.246 -6.905 -32.199 1.00 34.44 H new ATOM 0 HE2 LYS A 74 7.754 -9.000 -34.335 1.00 41.15 H new ATOM 0 HE3 LYS A 74 7.623 -9.436 -32.643 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 5.499 -9.645 -33.733 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 5.418 -8.391 -32.590 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 5.546 -8.026 -34.244 1.00 30.01 H new ATOM 1116 N LEU A 75 7.454 -1.807 -33.779 1.00 52.50 N ATOM 1117 CA LEU A 75 7.030 -0.582 -33.113 1.00 65.55 C ATOM 1118 C LEU A 75 6.034 0.189 -33.975 1.00 75.21 C ATOM 1119 O LEU A 75 5.209 0.945 -33.463 1.00 64.44 O ATOM 1120 CB LEU A 75 8.241 0.299 -32.800 1.00 21.23 C ATOM 1121 CG LEU A 75 8.609 0.434 -31.323 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.527 1.191 -30.569 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.834 -0.938 -30.702 1.00 51.32 C ATOM 0 H LEU A 75 8.449 -1.842 -34.003 1.00 52.50 H new ATOM 0 HA LEU A 75 6.539 -0.857 -32.179 1.00 65.55 H new ATOM 0 HB2 LEU A 75 9.103 -0.101 -33.333 1.00 21.23 H new ATOM 0 HB3 LEU A 75 8.053 1.296 -33.199 1.00 21.23 H new ATOM 0 HG LEU A 75 9.537 1.001 -31.250 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.807 1.277 -29.519 1.00 62.14 H new ATOM 0 HD12 LEU A 75 7.414 2.187 -30.997 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.583 0.652 -30.650 1.00 62.14 H new ATOM 0 HD21 LEU A 75 9.095 -0.823 -29.650 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.923 -1.530 -30.787 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.646 -1.445 -31.224 1.00 51.32 H new ATOM 1135 N GLY A 76 6.118 -0.009 -35.287 1.00 21.42 N ATOM 1136 CA GLY A 76 5.218 0.673 -36.199 1.00 10.52 C ATOM 1137 C GLY A 76 5.907 1.106 -37.478 1.00 14.51 C ATOM 1138 O GLY A 76 7.134 1.079 -37.568 1.00 71.33 O ATOM 0 H GLY A 76 6.793 -0.629 -35.735 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.385 0.014 -36.444 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.797 1.547 -35.703 1.00 10.52 H new ATOM 1142 N GLU A 77 5.116 1.504 -38.469 1.00 31.22 N ATOM 1143 CA GLU A 77 5.658 1.941 -39.749 1.00 3.31 C ATOM 1144 C GLU A 77 5.039 3.269 -40.178 1.00 55.51 C ATOM 1145 O GLU A 77 3.952 3.646 -39.738 1.00 65.31 O ATOM 1146 CB GLU A 77 5.409 0.880 -40.823 1.00 60.22 C ATOM 1147 CG GLU A 77 4.037 0.234 -40.735 1.00 64.43 C ATOM 1148 CD GLU A 77 2.909 1.231 -40.917 1.00 52.41 C ATOM 1149 OE1 GLU A 77 2.648 1.625 -42.073 1.00 31.24 O ATOM 1150 OE2 GLU A 77 2.289 1.618 -39.906 1.00 22.41 O1- ATOM 0 H GLU A 77 4.098 1.533 -38.410 1.00 31.22 H new ATOM 0 HA GLU A 77 6.732 2.082 -39.630 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.524 1.337 -41.806 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.172 0.106 -40.740 1.00 60.22 H new ATOM 0 HG2 GLU A 77 3.956 -0.543 -41.495 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.932 -0.255 -39.767 1.00 64.43 H new ATOM 1157 N PRO A 78 5.746 3.995 -41.056 1.00 13.34 N ATOM 1158 CA PRO A 78 5.287 5.291 -41.563 1.00 21.23 C ATOM 1159 C PRO A 78 4.084 5.157 -42.493 1.00 62.01 C ATOM 1160 O PRO A 78 3.582 4.056 -42.718 1.00 42.25 O ATOM 1161 CB PRO A 78 6.499 5.822 -42.332 1.00 40.44 C ATOM 1162 CG PRO A 78 7.260 4.604 -42.728 1.00 2.43 C ATOM 1163 CD PRO A 78 7.048 3.606 -41.623 1.00 41.44 C ATOM 0 HA PRO A 78 4.954 5.947 -40.759 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.192 6.398 -43.205 1.00 40.44 H new ATOM 0 HB3 PRO A 78 7.104 6.482 -41.710 1.00 40.44 H new ATOM 0 HG2 PRO A 78 6.903 4.213 -43.681 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.319 4.829 -42.853 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.032 2.584 -42.002 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.842 3.657 -40.878 1.00 41.44 H new ATOM 1171 N SER A 79 3.628 6.284 -43.029 1.00 1.54 N ATOM 1172 CA SER A 79 2.483 6.293 -43.931 1.00 22.12 C ATOM 1173 C SER A 79 2.938 6.328 -45.387 1.00 55.34 C ATOM 1174 O SER A 79 4.129 6.222 -45.679 1.00 42.34 O ATOM 1175 CB SER A 79 1.584 7.495 -43.637 1.00 75.41 C ATOM 1176 OG SER A 79 0.314 7.344 -44.250 1.00 71.31 O ATOM 0 H SER A 79 4.034 7.203 -42.854 1.00 1.54 H new ATOM 0 HA SER A 79 1.917 5.376 -43.767 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.461 7.606 -42.560 1.00 75.41 H new ATOM 0 HB3 SER A 79 2.060 8.406 -43.999 1.00 75.41 H new ATOM 0 HG SER A 79 -0.243 8.124 -44.046 1.00 71.31 H new ATOM 1182 N ASP A 80 1.981 6.478 -46.296 1.00 2.42 N ATOM 1183 CA ASP A 80 2.282 6.529 -47.722 1.00 64.33 C ATOM 1184 C ASP A 80 3.243 7.673 -48.034 1.00 41.21 C ATOM 1185 O ASP A 80 4.194 7.508 -48.799 1.00 61.31 O ATOM 1186 CB ASP A 80 0.995 6.694 -48.532 1.00 42.53 C ATOM 1187 CG ASP A 80 0.252 7.969 -48.185 1.00 72.41 C ATOM 1188 OD1 ASP A 80 -0.166 8.114 -47.016 1.00 61.52 O ATOM 1189 OD2 ASP A 80 0.089 8.822 -49.082 1.00 62.51 O1- ATOM 0 H ASP A 80 0.990 6.566 -46.071 1.00 2.42 H new ATOM 0 HA ASP A 80 2.760 5.590 -48.001 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.236 6.695 -49.595 1.00 42.53 H new ATOM 0 HB3 ASP A 80 0.345 5.838 -48.353 1.00 42.53 H new ATOM 1194 N LYS A 81 2.988 8.832 -47.438 1.00 63.24 N ATOM 1195 CA LYS A 81 3.830 10.004 -47.651 1.00 42.30 C ATOM 1196 C LYS A 81 5.292 9.684 -47.358 1.00 52.43 C ATOM 1197 O LYS A 81 6.150 9.810 -48.231 1.00 13.12 O ATOM 1198 CB LYS A 81 3.361 11.162 -46.766 1.00 24.44 C ATOM 1199 CG LYS A 81 4.223 12.406 -46.887 1.00 13.30 C ATOM 1200 CD LYS A 81 4.297 12.895 -48.324 1.00 11.42 C ATOM 1201 CE LYS A 81 2.922 13.265 -48.858 1.00 51.52 C ATOM 1202 NZ LYS A 81 2.978 13.697 -50.283 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.205 8.986 -46.803 1.00 63.24 H new ATOM 0 HA LYS A 81 3.744 10.297 -48.697 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.333 11.415 -47.027 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.354 10.834 -45.726 1.00 24.44 H new ATOM 0 HG2 LYS A 81 3.816 13.195 -46.254 1.00 13.30 H new ATOM 0 HG3 LYS A 81 5.227 12.191 -46.523 1.00 13.30 H new ATOM 0 HD2 LYS A 81 4.956 13.761 -48.381 1.00 11.42 H new ATOM 0 HD3 LYS A 81 4.736 12.119 -48.951 1.00 11.42 H new ATOM 0 HE2 LYS A 81 2.254 12.409 -48.764 1.00 51.52 H new ATOM 0 HE3 LYS A 81 2.501 14.067 -48.252 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 2.021 13.941 -50.610 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 3.596 14.529 -50.369 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 3.356 12.923 -50.866 1.00 62.13 H new ATOM 1216 N GLU A 82 5.567 9.271 -46.126 1.00 13.40 N ATOM 1217 CA GLU A 82 6.925 8.932 -45.720 1.00 22.15 C ATOM 1218 C GLU A 82 7.451 7.740 -46.515 1.00 24.23 C ATOM 1219 O GLU A 82 8.656 7.604 -46.727 1.00 2.21 O ATOM 1220 CB GLU A 82 6.972 8.620 -44.223 1.00 53.12 C ATOM 1221 CG GLU A 82 7.430 9.791 -43.371 1.00 71.53 C ATOM 1222 CD GLU A 82 6.284 10.691 -42.949 1.00 12.30 C ATOM 1223 OE1 GLU A 82 5.487 11.084 -43.826 1.00 14.14 O ATOM 1224 OE2 GLU A 82 6.184 10.999 -41.743 1.00 32.01 O1- ATOM 0 H GLU A 82 4.868 9.163 -45.391 1.00 13.40 H new ATOM 0 HA GLU A 82 7.562 9.793 -45.925 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.981 8.308 -43.894 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.643 7.777 -44.057 1.00 53.12 H new ATOM 0 HG2 GLU A 82 7.936 9.413 -42.483 1.00 71.53 H new ATOM 0 HG3 GLU A 82 8.161 10.377 -43.929 1.00 71.53 H new ATOM 1231 N TYR A 83 6.538 6.880 -46.953 1.00 32.52 N ATOM 1232 CA TYR A 83 6.908 5.698 -47.722 1.00 21.41 C ATOM 1233 C TYR A 83 7.583 6.091 -49.033 1.00 74.33 C ATOM 1234 O TYR A 83 8.674 5.616 -49.348 1.00 30.25 O ATOM 1235 CB TYR A 83 5.673 4.843 -48.008 1.00 60.15 C ATOM 1236 CG TYR A 83 5.657 3.531 -47.256 1.00 3.54 C ATOM 1237 CD1 TYR A 83 5.707 3.503 -45.868 1.00 33.43 C ATOM 1238 CD2 TYR A 83 5.593 2.320 -47.934 1.00 72.12 C ATOM 1239 CE1 TYR A 83 5.694 2.306 -45.177 1.00 3.43 C ATOM 1240 CE2 TYR A 83 5.579 1.119 -47.251 1.00 71.42 C ATOM 1241 CZ TYR A 83 5.629 1.118 -45.873 1.00 11.20 C ATOM 1242 OH TYR A 83 5.616 -0.076 -45.189 1.00 41.13 O ATOM 0 H TYR A 83 5.536 6.980 -46.789 1.00 32.52 H new ATOM 0 HA TYR A 83 7.615 5.117 -47.130 1.00 21.41 H new ATOM 0 HB2 TYR A 83 4.780 5.412 -47.749 1.00 60.15 H new ATOM 0 HB3 TYR A 83 5.622 4.640 -49.078 1.00 60.15 H new ATOM 0 HD1 TYR A 83 5.757 4.432 -45.320 1.00 33.43 H new ATOM 0 HD2 TYR A 83 5.554 2.317 -49.013 1.00 72.12 H new ATOM 0 HE1 TYR A 83 5.735 2.302 -44.098 1.00 3.43 H new ATOM 0 HE2 TYR A 83 5.529 0.186 -47.793 1.00 71.42 H new ATOM 0 HH TYR A 83 5.567 -0.818 -45.827 1.00 41.13 H new ATOM 1252 N ASP A 84 6.926 6.960 -49.791 1.00 24.14 N ATOM 1253 CA ASP A 84 7.461 7.419 -51.067 1.00 41.30 C ATOM 1254 C ASP A 84 8.659 8.340 -50.855 1.00 24.23 C ATOM 1255 O ASP A 84 9.661 8.247 -51.566 1.00 11.41 O ATOM 1256 CB ASP A 84 6.379 8.148 -51.867 1.00 33.25 C ATOM 1257 CG ASP A 84 6.517 7.928 -53.361 1.00 12.43 C ATOM 1258 OD1 ASP A 84 5.496 8.031 -54.072 1.00 71.12 O ATOM 1259 OD2 ASP A 84 7.646 7.654 -53.818 1.00 45.14 O1- ATOM 0 H ASP A 84 6.021 7.361 -49.544 1.00 24.14 H new ATOM 0 HA ASP A 84 7.791 6.545 -51.629 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.397 7.805 -51.541 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.431 9.216 -51.654 1.00 33.25 H new ATOM 1264 N LEU A 85 8.550 9.228 -49.872 1.00 20.31 N ATOM 1265 CA LEU A 85 9.624 10.165 -49.566 1.00 5.33 C ATOM 1266 C LEU A 85 10.935 9.428 -49.312 1.00 63.15 C ATOM 1267 O LEU A 85 11.970 9.767 -49.888 1.00 64.22 O ATOM 1268 CB LEU A 85 9.257 11.010 -48.344 1.00 32.10 C ATOM 1269 CG LEU A 85 9.790 12.444 -48.335 1.00 40.23 C ATOM 1270 CD1 LEU A 85 11.311 12.448 -48.344 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.245 13.223 -49.523 1.00 5.43 C ATOM 0 H LEU A 85 7.729 9.318 -49.274 1.00 20.31 H new ATOM 0 HA LEU A 85 9.757 10.820 -50.427 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.170 11.047 -48.266 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.624 10.502 -47.452 1.00 32.10 H new ATOM 0 HG LEU A 85 9.452 12.932 -47.421 1.00 40.23 H new ATOM 0 HD11 LEU A 85 11.672 13.476 -48.337 1.00 13.40 H new ATOM 0 HD12 LEU A 85 11.681 11.928 -47.461 1.00 13.40 H new ATOM 0 HD13 LEU A 85 11.671 11.943 -49.240 1.00 13.40 H new ATOM 0 HD21 LEU A 85 9.635 14.241 -49.500 1.00 5.43 H new ATOM 0 HD22 LEU A 85 9.553 12.737 -50.449 1.00 5.43 H new ATOM 0 HD23 LEU A 85 8.157 13.250 -49.472 1.00 5.43 H new ATOM 1283 N ILE A 86 10.883 8.419 -48.449 1.00 45.10 N ATOM 1284 CA ILE A 86 12.066 7.632 -48.123 1.00 32.42 C ATOM 1285 C ILE A 86 12.446 6.707 -49.275 1.00 52.13 C ATOM 1286 O ILE A 86 13.623 6.571 -49.612 1.00 14.31 O ATOM 1287 CB ILE A 86 11.849 6.789 -46.853 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.461 7.689 -45.678 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.102 5.991 -46.526 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.916 6.928 -44.489 1.00 63.41 C ATOM 0 H ILE A 86 10.035 8.127 -47.963 1.00 45.10 H new ATOM 0 HA ILE A 86 12.876 8.339 -47.946 1.00 32.42 H new ATOM 0 HB ILE A 86 11.034 6.088 -47.034 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.335 8.260 -45.364 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.713 8.408 -46.013 1.00 10.12 H new ATOM 0 HG21 ILE A 86 12.933 5.400 -45.626 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.337 5.326 -47.357 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.935 6.674 -46.360 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.662 7.629 -43.694 1.00 63.41 H new ATOM 0 HD12 ILE A 86 10.023 6.378 -44.787 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.670 6.228 -44.128 1.00 63.41 H new ATOM 1302 N ASP A 87 11.444 6.076 -49.875 1.00 50.21 N ATOM 1303 CA ASP A 87 11.672 5.166 -50.991 1.00 61.54 C ATOM 1304 C ASP A 87 12.350 5.888 -52.151 1.00 73.01 C ATOM 1305 O ASP A 87 12.998 5.263 -52.990 1.00 74.03 O ATOM 1306 CB ASP A 87 10.349 4.556 -51.458 1.00 35.13 C ATOM 1307 CG ASP A 87 10.538 3.557 -52.583 1.00 41.55 C ATOM 1308 OD1 ASP A 87 10.768 3.994 -53.731 1.00 61.45 O ATOM 1309 OD2 ASP A 87 10.456 2.341 -52.316 1.00 51.34 O1- ATOM 0 H ASP A 87 10.465 6.178 -49.607 1.00 50.21 H new ATOM 0 HA ASP A 87 12.331 4.368 -50.648 1.00 61.54 H new ATOM 0 HB2 ASP A 87 9.862 4.063 -50.616 1.00 35.13 H new ATOM 0 HB3 ASP A 87 9.683 5.352 -51.791 1.00 35.13 H new ATOM 1314 N GLN A 88 12.194 7.208 -52.193 1.00 32.35 N ATOM 1315 CA GLN A 88 12.790 8.014 -53.251 1.00 71.22 C ATOM 1316 C GLN A 88 14.288 8.193 -53.022 1.00 44.01 C ATOM 1317 O GLN A 88 15.044 8.435 -53.961 1.00 30.30 O ATOM 1318 CB GLN A 88 12.107 9.382 -53.326 1.00 71.55 C ATOM 1319 CG GLN A 88 10.891 9.405 -54.237 1.00 72.24 C ATOM 1320 CD GLN A 88 10.358 10.806 -54.463 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.036 11.794 -54.178 1.00 14.12 O ATOM 1322 NE2 GLN A 88 9.138 10.900 -54.978 1.00 31.43 N ATOM 0 H GLN A 88 11.660 7.741 -51.507 1.00 32.35 H new ATOM 0 HA GLN A 88 12.645 7.491 -54.196 1.00 71.22 H new ATOM 0 HB2 GLN A 88 11.805 9.684 -52.323 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.828 10.120 -53.677 1.00 71.55 H new ATOM 0 HG2 GLN A 88 11.153 8.961 -55.197 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.105 8.787 -53.803 1.00 72.24 H new ATOM 0 HE21 GLN A 88 8.611 10.055 -55.199 1.00 31.43 H new ATOM 0 HE22 GLN A 88 8.727 11.817 -55.152 1.00 31.43 H new ATOM 1331 N ALA A 89 14.708 8.071 -51.767 1.00 43.05 N ATOM 1332 CA ALA A 89 16.115 8.218 -51.415 1.00 33.15 C ATOM 1333 C ALA A 89 16.874 6.914 -51.636 1.00 24.14 C ATOM 1334 O ALA A 89 16.351 5.828 -51.383 1.00 71.13 O ATOM 1335 CB ALA A 89 16.253 8.672 -49.970 1.00 12.20 C ATOM 0 H ALA A 89 14.094 7.871 -50.977 1.00 43.05 H new ATOM 0 HA ALA A 89 16.550 8.977 -52.066 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.309 8.778 -49.721 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.752 9.631 -49.841 1.00 12.20 H new ATOM 0 HB3 ALA A 89 15.797 7.933 -49.311 1.00 12.20 H new ATOM 1341 N PHE A 90 18.110 7.028 -52.111 1.00 74.20 N ATOM 1342 CA PHE A 90 18.941 5.858 -52.368 1.00 75.52 C ATOM 1343 C PHE A 90 19.381 5.205 -51.061 1.00 71.45 C ATOM 1344 O PHE A 90 19.866 5.876 -50.152 1.00 12.24 O ATOM 1345 CB PHE A 90 20.168 6.249 -53.194 1.00 64.23 C ATOM 1346 CG PHE A 90 19.848 6.582 -54.623 1.00 13.13 C ATOM 1347 CD1 PHE A 90 20.328 7.746 -55.201 1.00 30.42 C ATOM 1348 CD2 PHE A 90 19.065 5.733 -55.387 1.00 65.35 C ATOM 1349 CE1 PHE A 90 20.035 8.056 -56.515 1.00 45.43 C ATOM 1350 CE2 PHE A 90 18.770 6.037 -56.703 1.00 31.34 C ATOM 1351 CZ PHE A 90 19.254 7.201 -57.268 1.00 1.02 C ATOM 0 H PHE A 90 18.558 7.919 -52.326 1.00 74.20 H new ATOM 0 HA PHE A 90 18.347 5.138 -52.931 1.00 75.52 H new ATOM 0 HB2 PHE A 90 20.650 7.108 -52.728 1.00 64.23 H new ATOM 0 HB3 PHE A 90 20.887 5.430 -53.172 1.00 64.23 H new ATOM 0 HD1 PHE A 90 20.939 8.419 -54.617 1.00 30.42 H new ATOM 0 HD2 PHE A 90 18.681 4.823 -54.950 1.00 65.35 H new ATOM 0 HE1 PHE A 90 20.416 8.966 -56.953 1.00 45.43 H new ATOM 0 HE2 PHE A 90 18.161 5.365 -57.289 1.00 31.34 H new ATOM 0 HZ PHE A 90 19.023 7.442 -58.295 1.00 1.02 H new ATOM 1361 N GLY A 91 19.206 3.889 -50.974 1.00 12.51 N ATOM 1362 CA GLY A 91 19.588 3.168 -49.774 1.00 14.41 C ATOM 1363 C GLY A 91 18.977 3.761 -48.520 1.00 73.13 C ATOM 1364 O GLY A 91 19.635 3.851 -47.485 1.00 4.35 O ATOM 0 H GLY A 91 18.807 3.310 -51.713 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.280 2.126 -49.867 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.674 3.172 -49.682 1.00 14.41 H new ATOM 1368 N ALA A 92 17.715 4.167 -48.615 1.00 4.24 N ATOM 1369 CA ALA A 92 17.015 4.754 -47.480 1.00 70.22 C ATOM 1370 C ALA A 92 15.957 3.802 -46.935 1.00 24.25 C ATOM 1371 O ALA A 92 15.068 3.361 -47.664 1.00 13.15 O ATOM 1372 CB ALA A 92 16.381 6.079 -47.878 1.00 0.13 C ATOM 0 H ALA A 92 17.157 4.100 -49.466 1.00 4.24 H new ATOM 0 HA ALA A 92 17.744 4.935 -46.690 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.861 6.506 -47.020 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.157 6.768 -48.212 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.670 5.914 -48.687 1.00 0.13 H new ATOM 1378 N THR A 93 16.057 3.486 -45.647 1.00 45.11 N ATOM 1379 CA THR A 93 15.109 2.584 -45.005 1.00 43.04 C ATOM 1380 C THR A 93 14.139 3.351 -44.114 1.00 51.13 C ATOM 1381 O THR A 93 14.511 4.335 -43.475 1.00 12.44 O ATOM 1382 CB THR A 93 15.832 1.518 -44.161 1.00 14.42 C ATOM 1383 OG1 THR A 93 17.189 1.386 -44.596 1.00 31.50 O ATOM 1384 CG2 THR A 93 15.128 0.175 -44.268 1.00 75.11 C ATOM 0 H THR A 93 16.786 3.842 -45.028 1.00 45.11 H new ATOM 0 HA THR A 93 14.553 2.089 -45.801 1.00 43.04 H new ATOM 0 HB THR A 93 15.814 1.838 -43.119 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.642 0.707 -44.053 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.657 -0.562 -43.664 1.00 75.11 H new ATOM 0 HG22 THR A 93 14.104 0.272 -43.909 1.00 75.11 H new ATOM 0 HG23 THR A 93 15.118 -0.149 -45.309 1.00 75.11 H new ATOM 1392 N GLY A 94 12.892 2.891 -44.072 1.00 64.34 N ATOM 1393 CA GLY A 94 11.887 3.546 -43.255 1.00 73.52 C ATOM 1394 C GLY A 94 12.302 3.651 -41.800 1.00 11.42 C ATOM 1395 O GLY A 94 11.851 4.542 -41.080 1.00 75.13 O ATOM 0 H GLY A 94 12.560 2.077 -44.589 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.697 4.545 -43.649 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.950 2.993 -43.324 1.00 73.52 H new ATOM 1399 N THR A 95 13.163 2.735 -41.364 1.00 3.02 N ATOM 1400 CA THR A 95 13.635 2.727 -39.986 1.00 45.00 C ATOM 1401 C THR A 95 14.637 3.850 -39.741 1.00 1.41 C ATOM 1402 O THR A 95 15.130 4.022 -38.627 1.00 53.40 O ATOM 1403 CB THR A 95 14.293 1.382 -39.626 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.574 1.277 -40.259 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.414 0.218 -40.056 1.00 23.25 C ATOM 0 H THR A 95 13.547 1.990 -41.946 1.00 3.02 H new ATOM 0 HA THR A 95 12.761 2.878 -39.352 1.00 45.00 H new ATOM 0 HB THR A 95 14.419 1.343 -38.544 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.986 0.420 -40.023 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.899 -0.721 -39.791 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.450 0.284 -39.551 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.261 0.256 -41.135 1.00 23.25 H new ATOM 1413 N SER A 96 14.931 4.614 -40.789 1.00 4.44 N ATOM 1414 CA SER A 96 15.875 5.719 -40.688 1.00 60.11 C ATOM 1415 C SER A 96 15.157 7.016 -40.326 1.00 71.41 C ATOM 1416 O SER A 96 15.790 8.010 -39.967 1.00 10.54 O ATOM 1417 CB SER A 96 16.632 5.894 -42.005 1.00 33.34 C ATOM 1418 OG SER A 96 17.814 6.654 -41.819 1.00 54.01 O ATOM 0 H SER A 96 14.528 4.487 -41.717 1.00 4.44 H new ATOM 0 HA SER A 96 16.587 5.484 -39.896 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.886 4.916 -42.415 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.990 6.388 -42.734 1.00 33.34 H new ATOM 0 HG SER A 96 17.610 7.452 -41.288 1.00 54.01 H new ATOM 1424 N ARG A 97 13.832 6.999 -40.423 1.00 14.14 N ATOM 1425 CA ARG A 97 13.027 8.172 -40.108 1.00 44.44 C ATOM 1426 C ARG A 97 12.185 7.934 -38.858 1.00 41.24 C ATOM 1427 O ARG A 97 11.694 6.828 -38.628 1.00 64.24 O ATOM 1428 CB ARG A 97 12.119 8.526 -41.287 1.00 70.20 C ATOM 1429 CG ARG A 97 12.702 9.588 -42.206 1.00 33.41 C ATOM 1430 CD ARG A 97 13.959 9.092 -42.904 1.00 21.13 C ATOM 1431 NE ARG A 97 14.510 10.092 -43.814 1.00 44.32 N ATOM 1432 CZ ARG A 97 15.506 9.847 -44.659 1.00 45.23 C ATOM 1433 NH1 ARG A 97 16.057 8.642 -44.708 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 15.952 10.809 -45.457 1.00 33.05 N ATOM 0 H ARG A 97 13.293 6.185 -40.718 1.00 14.14 H new ATOM 0 HA ARG A 97 13.704 9.005 -39.917 1.00 44.44 H new ATOM 0 HB2 ARG A 97 11.922 7.624 -41.867 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.160 8.875 -40.904 1.00 70.20 H new ATOM 0 HG2 ARG A 97 11.959 9.873 -42.951 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.934 10.483 -41.628 1.00 33.41 H new ATOM 0 HD2 ARG A 97 14.708 8.829 -42.157 1.00 21.13 H new ATOM 0 HD3 ARG A 97 13.730 8.183 -43.460 1.00 21.13 H new ATOM 0 HE ARG A 97 14.109 11.030 -43.800 1.00 44.32 H new ATOM 0 HH11 ARG A 97 15.717 7.900 -44.096 1.00 54.10 H new ATOM 0 HH12 ARG A 97 16.821 8.457 -45.358 1.00 54.10 H new ATOM 0 HH21 ARG A 97 15.530 11.737 -45.422 1.00 33.05 H new ATOM 0 HH22 ARG A 97 16.717 10.620 -46.105 1.00 33.05 H new ATOM 1448 N LEU A 98 12.021 8.978 -38.053 1.00 2.12 N ATOM 1449 CA LEU A 98 11.239 8.883 -36.826 1.00 73.45 C ATOM 1450 C LEU A 98 10.948 10.268 -36.256 1.00 21.34 C ATOM 1451 O LEU A 98 11.850 11.092 -36.113 1.00 13.34 O ATOM 1452 CB LEU A 98 11.980 8.037 -35.790 1.00 23.22 C ATOM 1453 CG LEU A 98 11.106 7.204 -34.851 1.00 64.21 C ATOM 1454 CD1 LEU A 98 11.848 5.959 -34.394 1.00 54.22 C ATOM 1455 CD2 LEU A 98 10.665 8.035 -33.655 1.00 44.21 C ATOM 0 H LEU A 98 12.419 9.900 -38.228 1.00 2.12 H new ATOM 0 HA LEU A 98 10.290 8.403 -37.066 1.00 73.45 H new ATOM 0 HB2 LEU A 98 12.656 7.363 -36.317 1.00 23.22 H new ATOM 0 HB3 LEU A 98 12.599 8.700 -35.185 1.00 23.22 H new ATOM 0 HG LEU A 98 10.216 6.890 -35.397 1.00 64.21 H new ATOM 0 HD11 LEU A 98 11.210 5.379 -33.727 1.00 54.22 H new ATOM 0 HD12 LEU A 98 12.111 5.353 -35.261 1.00 54.22 H new ATOM 0 HD13 LEU A 98 12.756 6.250 -33.866 1.00 54.22 H new ATOM 0 HD21 LEU A 98 10.044 7.426 -32.998 1.00 44.21 H new ATOM 0 HD22 LEU A 98 11.543 8.380 -33.108 1.00 44.21 H new ATOM 0 HD23 LEU A 98 10.092 8.895 -34.001 1.00 44.21 H new ATOM 1467 N GLY A 99 9.683 10.515 -35.932 1.00 65.55 N ATOM 1468 CA GLY A 99 9.297 11.800 -35.380 1.00 71.01 C ATOM 1469 C GLY A 99 9.910 12.054 -34.016 1.00 52.33 C ATOM 1470 O GLY A 99 10.909 11.434 -33.652 1.00 62.04 O ATOM 0 H GLY A 99 8.919 9.848 -36.042 1.00 65.55 H new ATOM 0 HA2 GLY A 99 9.601 12.592 -36.065 1.00 71.01 H new ATOM 0 HA3 GLY A 99 8.211 11.846 -35.301 1.00 71.01 H new ATOM 1474 N CYS A 100 9.312 12.968 -33.260 1.00 23.20 N ATOM 1475 CA CYS A 100 9.805 13.304 -31.931 1.00 42.23 C ATOM 1476 C CYS A 100 8.965 12.627 -30.851 1.00 61.43 C ATOM 1477 O CYS A 100 8.855 13.128 -29.732 1.00 22.54 O ATOM 1478 CB CYS A 100 9.791 14.820 -31.727 1.00 12.14 C ATOM 1479 SG CYS A 100 11.229 15.680 -32.444 1.00 33.11 S ATOM 0 H CYS A 100 8.484 13.490 -33.546 1.00 23.20 H new ATOM 0 HA CYS A 100 10.830 12.942 -31.849 1.00 42.23 H new ATOM 0 HB2 CYS A 100 8.881 15.227 -32.168 1.00 12.14 H new ATOM 0 HB3 CYS A 100 9.750 15.032 -30.659 1.00 12.14 H new ATOM 0 HG CYS A 100 11.126 16.957 -32.222 1.00 33.11 H new ATOM 1484 N GLN A 101 8.375 11.488 -31.196 1.00 51.23 N ATOM 1485 CA GLN A 101 7.544 10.743 -30.257 1.00 32.50 C ATOM 1486 C GLN A 101 8.214 9.431 -29.860 1.00 24.44 C ATOM 1487 O GLN A 101 7.664 8.350 -30.077 1.00 62.34 O ATOM 1488 CB GLN A 101 6.171 10.462 -30.869 1.00 54.33 C ATOM 1489 CG GLN A 101 6.236 9.770 -32.221 1.00 51.15 C ATOM 1490 CD GLN A 101 4.939 9.076 -32.585 1.00 64.22 C ATOM 1491 OE1 GLN A 101 4.340 9.357 -33.623 1.00 14.41 O ATOM 1492 NE2 GLN A 101 4.498 8.161 -31.730 1.00 64.44 N ATOM 0 H GLN A 101 8.457 11.060 -32.118 1.00 51.23 H new ATOM 0 HA GLN A 101 7.417 11.352 -29.362 1.00 32.50 H new ATOM 0 HB2 GLN A 101 5.596 9.843 -30.181 1.00 54.33 H new ATOM 0 HB3 GLN A 101 5.632 11.403 -30.978 1.00 54.33 H new ATOM 0 HG2 GLN A 101 6.479 10.504 -32.989 1.00 51.15 H new ATOM 0 HG3 GLN A 101 7.045 9.039 -32.212 1.00 51.15 H new ATOM 0 HE21 GLN A 101 5.026 7.959 -30.881 1.00 64.44 H new ATOM 0 HE22 GLN A 101 3.631 7.660 -31.922 1.00 64.44 H new ATOM 1501 N LEU A 102 9.403 9.533 -29.277 1.00 65.25 N ATOM 1502 CA LEU A 102 10.149 8.354 -28.850 1.00 63.32 C ATOM 1503 C LEU A 102 9.956 8.099 -27.359 1.00 43.03 C ATOM 1504 O LEU A 102 10.410 8.880 -26.521 1.00 43.45 O ATOM 1505 CB LEU A 102 11.637 8.527 -29.160 1.00 54.24 C ATOM 1506 CG LEU A 102 12.413 7.245 -29.462 1.00 12.13 C ATOM 1507 CD1 LEU A 102 12.386 6.310 -28.261 1.00 65.13 C ATOM 1508 CD2 LEU A 102 11.844 6.552 -30.691 1.00 5.14 C ATOM 0 H LEU A 102 9.871 10.419 -29.089 1.00 65.25 H new ATOM 0 HA LEU A 102 9.767 7.494 -29.400 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.734 9.197 -30.015 1.00 54.24 H new ATOM 0 HB3 LEU A 102 12.109 9.022 -28.312 1.00 54.24 H new ATOM 0 HG LEU A 102 13.450 7.511 -29.668 1.00 12.13 H new ATOM 0 HD11 LEU A 102 12.943 5.403 -28.494 1.00 65.13 H new ATOM 0 HD12 LEU A 102 12.841 6.806 -27.404 1.00 65.13 H new ATOM 0 HD13 LEU A 102 11.354 6.051 -28.024 1.00 65.13 H new ATOM 0 HD21 LEU A 102 12.410 5.642 -30.890 1.00 5.14 H new ATOM 0 HD22 LEU A 102 10.799 6.299 -30.515 1.00 5.14 H new ATOM 0 HD23 LEU A 102 11.916 7.219 -31.550 1.00 5.14 H new ATOM 1520 N ARG A 103 9.281 7.002 -27.033 1.00 52.25 N ATOM 1521 CA ARG A 103 9.029 6.643 -25.644 1.00 12.23 C ATOM 1522 C ARG A 103 9.656 5.294 -25.307 1.00 22.20 C ATOM 1523 O ARG A 103 9.561 4.342 -26.083 1.00 3.34 O ATOM 1524 CB ARG A 103 7.523 6.600 -25.370 1.00 33.05 C ATOM 1525 CG ARG A 103 6.899 7.973 -25.184 1.00 62.04 C ATOM 1526 CD ARG A 103 5.819 7.952 -24.114 1.00 70.21 C ATOM 1527 NE ARG A 103 4.488 7.748 -24.682 1.00 53.42 N ATOM 1528 CZ ARG A 103 3.851 8.659 -25.409 1.00 21.50 C ATOM 1529 NH1 ARG A 103 4.420 9.831 -25.654 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 2.644 8.397 -25.892 1.00 43.51 N ATOM 0 H ARG A 103 8.898 6.346 -27.714 1.00 52.25 H new ATOM 0 HA ARG A 103 9.485 7.404 -25.011 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.026 6.093 -26.197 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.342 6.004 -24.476 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.672 8.691 -24.909 1.00 62.04 H new ATOM 0 HG3 ARG A 103 6.471 8.311 -26.128 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.033 7.158 -23.399 1.00 70.21 H new ATOM 0 HD3 ARG A 103 5.837 8.892 -23.562 1.00 70.21 H new ATOM 0 HE ARG A 103 4.022 6.857 -24.511 1.00 53.42 H new ATOM 0 HH11 ARG A 103 5.349 10.034 -25.284 1.00 52.01 H new ATOM 0 HH12 ARG A 103 3.929 10.529 -26.213 1.00 52.01 H new ATOM 0 HH21 ARG A 103 2.205 7.496 -25.705 1.00 43.51 H new ATOM 0 HH22 ARG A 103 2.155 9.097 -26.450 1.00 43.51 H new ATOM 1544 N VAL A 104 10.297 5.218 -24.145 1.00 21.01 N ATOM 1545 CA VAL A 104 10.940 3.985 -23.706 1.00 23.15 C ATOM 1546 C VAL A 104 9.923 3.014 -23.118 1.00 51.50 C ATOM 1547 O VAL A 104 9.308 3.291 -22.088 1.00 20.41 O ATOM 1548 CB VAL A 104 12.032 4.265 -22.657 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.777 2.986 -22.305 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.994 5.330 -23.161 1.00 72.24 C ATOM 0 H VAL A 104 10.385 5.996 -23.491 1.00 21.01 H new ATOM 0 HA VAL A 104 11.399 3.536 -24.587 1.00 23.15 H new ATOM 0 HB VAL A 104 11.553 4.639 -21.752 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.544 3.205 -21.562 1.00 0.25 H new ATOM 0 HG12 VAL A 104 12.076 2.257 -21.899 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.245 2.579 -23.201 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.759 5.515 -22.407 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.467 4.987 -24.081 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.446 6.252 -23.356 1.00 72.24 H new ATOM 1560 N ASP A 105 9.751 1.874 -23.779 1.00 71.13 N ATOM 1561 CA ASP A 105 8.808 0.861 -23.321 1.00 40.04 C ATOM 1562 C ASP A 105 9.467 -0.515 -23.281 1.00 72.04 C ATOM 1563 O ASP A 105 10.637 -0.665 -23.634 1.00 10.30 O ATOM 1564 CB ASP A 105 7.580 0.825 -24.233 1.00 44.20 C ATOM 1565 CG ASP A 105 6.655 2.005 -24.003 1.00 65.14 C ATOM 1566 OD1 ASP A 105 7.136 3.156 -24.063 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.452 1.776 -23.766 1.00 33.31 O1- ATOM 0 H ASP A 105 10.252 1.629 -24.633 1.00 71.13 H new ATOM 0 HA ASP A 105 8.493 1.124 -22.311 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.904 0.818 -25.274 1.00 44.20 H new ATOM 0 HB3 ASP A 105 7.032 -0.102 -24.063 1.00 44.20 H new ATOM 1572 N LYS A 106 8.708 -1.517 -22.848 1.00 24.41 N ATOM 1573 CA LYS A 106 9.217 -2.880 -22.761 1.00 72.51 C ATOM 1574 C LYS A 106 9.778 -3.338 -24.104 1.00 64.01 C ATOM 1575 O LYS A 106 10.815 -4.000 -24.161 1.00 34.22 O ATOM 1576 CB LYS A 106 8.107 -3.832 -22.310 1.00 13.33 C ATOM 1577 CG LYS A 106 8.617 -5.040 -21.543 1.00 33.41 C ATOM 1578 CD LYS A 106 7.516 -6.061 -21.314 1.00 30.24 C ATOM 1579 CE LYS A 106 6.531 -5.592 -20.254 1.00 13.42 C ATOM 1580 NZ LYS A 106 5.229 -6.307 -20.350 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.738 -1.410 -22.552 1.00 24.41 H new ATOM 0 HA LYS A 106 10.022 -2.895 -22.026 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.403 -3.285 -21.683 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.555 -4.174 -23.186 1.00 13.33 H new ATOM 0 HG2 LYS A 106 9.435 -5.503 -22.095 1.00 33.41 H new ATOM 0 HG3 LYS A 106 9.021 -4.718 -20.583 1.00 33.41 H new ATOM 0 HD2 LYS A 106 6.986 -6.242 -22.249 1.00 30.24 H new ATOM 0 HD3 LYS A 106 7.956 -7.010 -21.008 1.00 30.24 H new ATOM 0 HE2 LYS A 106 6.960 -5.750 -19.265 1.00 13.42 H new ATOM 0 HE3 LYS A 106 6.365 -4.520 -20.362 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 4.586 -5.958 -19.611 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 4.807 -6.135 -21.285 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 5.383 -7.328 -20.222 1.00 24.12 H new ATOM 1594 N SER A 107 9.088 -2.980 -25.182 1.00 1.32 N ATOM 1595 CA SER A 107 9.517 -3.354 -26.524 1.00 32.25 C ATOM 1596 C SER A 107 10.853 -2.703 -26.870 1.00 64.51 C ATOM 1597 O SER A 107 11.605 -3.207 -27.705 1.00 35.32 O ATOM 1598 CB SER A 107 8.459 -2.951 -27.553 1.00 25.21 C ATOM 1599 OG SER A 107 8.746 -3.505 -28.824 1.00 60.12 O ATOM 0 H SER A 107 8.229 -2.431 -25.152 1.00 1.32 H new ATOM 0 HA SER A 107 9.643 -4.436 -26.548 1.00 32.25 H new ATOM 0 HB2 SER A 107 7.477 -3.287 -27.220 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.416 -1.864 -27.628 1.00 25.21 H new ATOM 0 HG SER A 107 8.054 -3.234 -29.463 1.00 60.12 H new ATOM 1605 N PHE A 108 11.142 -1.580 -26.221 1.00 54.12 N ATOM 1606 CA PHE A 108 12.387 -0.858 -26.459 1.00 31.34 C ATOM 1607 C PHE A 108 13.544 -1.507 -25.706 1.00 52.43 C ATOM 1608 O PHE A 108 14.688 -1.067 -25.810 1.00 20.31 O ATOM 1609 CB PHE A 108 12.241 0.604 -26.033 1.00 33.33 C ATOM 1610 CG PHE A 108 11.349 1.406 -26.938 1.00 11.41 C ATOM 1611 CD1 PHE A 108 11.858 2.461 -27.678 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.001 1.106 -27.046 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.039 3.200 -28.511 1.00 64.01 C ATOM 1614 CE2 PHE A 108 9.178 1.841 -27.877 1.00 0.32 C ATOM 1615 CZ PHE A 108 9.697 2.891 -28.610 1.00 71.21 C ATOM 0 H PHE A 108 10.531 -1.150 -25.526 1.00 54.12 H new ATOM 0 HA PHE A 108 12.604 -0.898 -27.526 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.844 0.641 -25.019 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.228 1.066 -26.006 1.00 33.33 H new ATOM 0 HD1 PHE A 108 12.907 2.709 -27.603 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.589 0.288 -26.474 1.00 23.10 H new ATOM 0 HE1 PHE A 108 11.449 4.019 -29.084 1.00 64.01 H new ATOM 0 HE2 PHE A 108 8.129 1.595 -27.954 1.00 0.32 H new ATOM 0 HZ PHE A 108 9.055 3.468 -29.259 1.00 71.21 H new ATOM 1625 N GLU A 109 13.236 -2.554 -24.948 1.00 45.42 N ATOM 1626 CA GLU A 109 14.251 -3.263 -24.177 1.00 14.13 C ATOM 1627 C GLU A 109 15.354 -3.795 -25.087 1.00 53.04 C ATOM 1628 O GLU A 109 15.087 -4.520 -26.044 1.00 0.14 O ATOM 1629 CB GLU A 109 13.618 -4.416 -23.396 1.00 15.44 C ATOM 1630 CG GLU A 109 14.586 -5.125 -22.465 1.00 21.13 C ATOM 1631 CD GLU A 109 14.223 -6.581 -22.245 1.00 40.23 C ATOM 1632 OE1 GLU A 109 13.093 -6.971 -22.604 1.00 23.25 O ATOM 1633 OE2 GLU A 109 15.068 -7.331 -21.712 1.00 62.22 O1- ATOM 0 H GLU A 109 12.293 -2.930 -24.851 1.00 45.42 H new ATOM 0 HA GLU A 109 14.694 -2.558 -23.474 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.781 -4.032 -22.812 1.00 15.44 H new ATOM 0 HB3 GLU A 109 13.209 -5.140 -24.101 1.00 15.44 H new ATOM 0 HG2 GLU A 109 15.593 -5.064 -22.878 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.604 -4.610 -21.505 1.00 21.13 H new ATOM 1640 N ASN A 110 16.594 -3.429 -24.780 1.00 40.22 N ATOM 1641 CA ASN A 110 17.738 -3.869 -25.571 1.00 12.52 C ATOM 1642 C ASN A 110 17.597 -3.427 -27.025 1.00 14.11 C ATOM 1643 O ASN A 110 18.182 -4.026 -27.926 1.00 14.41 O ATOM 1644 CB ASN A 110 17.878 -5.390 -25.501 1.00 53.45 C ATOM 1645 CG ASN A 110 18.501 -5.855 -24.200 1.00 14.25 C ATOM 1646 OD1 ASN A 110 17.964 -6.726 -23.517 1.00 53.03 O ATOM 1647 ND2 ASN A 110 19.643 -5.272 -23.850 1.00 13.04 N ATOM 0 H ASN A 110 16.833 -2.829 -23.990 1.00 40.22 H new ATOM 0 HA ASN A 110 18.634 -3.408 -25.155 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.895 -5.848 -25.614 1.00 53.45 H new ATOM 0 HB3 ASN A 110 18.488 -5.735 -26.336 1.00 53.45 H new ATOM 0 HD21 ASN A 110 20.109 -5.543 -22.984 1.00 13.04 H new ATOM 0 HD22 ASN A 110 20.053 -4.554 -24.447 1.00 13.04 H new ATOM 1654 N ALA A 111 16.817 -2.373 -27.244 1.00 11.53 N ATOM 1655 CA ALA A 111 16.602 -1.848 -28.586 1.00 33.33 C ATOM 1656 C ALA A 111 17.892 -1.281 -29.168 1.00 12.12 C ATOM 1657 O ALA A 111 18.764 -0.816 -28.434 1.00 32.25 O ATOM 1658 CB ALA A 111 15.516 -0.782 -28.568 1.00 12.32 C ATOM 0 H ALA A 111 16.324 -1.866 -26.509 1.00 11.53 H new ATOM 0 HA ALA A 111 16.278 -2.671 -29.223 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.366 -0.399 -29.577 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.586 -1.217 -28.203 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.818 0.034 -27.911 1.00 12.32 H new ATOM 1664 N VAL A 112 18.008 -1.323 -30.492 1.00 73.01 N ATOM 1665 CA VAL A 112 19.191 -0.813 -31.173 1.00 70.21 C ATOM 1666 C VAL A 112 18.892 0.500 -31.888 1.00 23.10 C ATOM 1667 O VAL A 112 18.129 0.532 -32.853 1.00 15.11 O ATOM 1668 CB VAL A 112 19.733 -1.831 -32.195 1.00 32.45 C ATOM 1669 CG1 VAL A 112 21.061 -1.358 -32.766 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.876 -3.203 -31.555 1.00 42.04 C ATOM 0 H VAL A 112 17.296 -1.706 -31.114 1.00 73.01 H new ATOM 0 HA VAL A 112 19.947 -0.641 -30.407 1.00 70.21 H new ATOM 0 HB VAL A 112 19.020 -1.911 -33.016 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.429 -2.089 -33.486 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.922 -0.398 -33.263 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.785 -1.247 -31.959 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.260 -3.910 -32.291 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.568 -3.142 -30.715 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.903 -3.542 -31.200 1.00 42.04 H new ATOM 1680 N PHE A 113 19.499 1.580 -31.408 1.00 22.12 N ATOM 1681 CA PHE A 113 19.296 2.897 -32.001 1.00 61.43 C ATOM 1682 C PHE A 113 20.549 3.357 -32.742 1.00 43.11 C ATOM 1683 O PHE A 113 21.466 3.921 -32.144 1.00 11.30 O ATOM 1684 CB PHE A 113 18.925 3.915 -30.921 1.00 14.33 C ATOM 1685 CG PHE A 113 17.510 3.784 -30.436 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.150 2.759 -29.577 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.540 4.687 -30.839 1.00 14.45 C ATOM 1688 CE1 PHE A 113 15.849 2.635 -29.127 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.236 4.570 -30.392 1.00 40.02 C ATOM 1690 CZ PHE A 113 14.890 3.542 -29.537 1.00 54.32 C ATOM 0 H PHE A 113 20.135 1.570 -30.611 1.00 22.12 H new ATOM 0 HA PHE A 113 18.477 2.824 -32.717 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.603 3.799 -30.075 1.00 14.33 H new ATOM 0 HB3 PHE A 113 19.075 4.921 -31.314 1.00 14.33 H new ATOM 0 HD1 PHE A 113 17.896 2.047 -29.255 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.805 5.491 -31.510 1.00 14.45 H new ATOM 0 HE1 PHE A 113 15.582 1.831 -28.457 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.489 5.282 -30.711 1.00 40.02 H new ATOM 0 HZ PHE A 113 13.872 3.447 -29.189 1.00 54.32 H new ATOM 1700 N THR A 114 20.580 3.113 -34.049 1.00 30.22 N ATOM 1701 CA THR A 114 21.719 3.501 -34.871 1.00 45.33 C ATOM 1702 C THR A 114 21.565 4.926 -35.387 1.00 52.03 C ATOM 1703 O THR A 114 20.519 5.295 -35.922 1.00 43.22 O ATOM 1704 CB THR A 114 21.895 2.550 -36.070 1.00 73.24 C ATOM 1705 OG1 THR A 114 22.215 1.232 -35.608 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.992 3.047 -36.998 1.00 73.44 C ATOM 0 H THR A 114 19.829 2.649 -34.560 1.00 30.22 H new ATOM 0 HA THR A 114 22.602 3.441 -34.235 1.00 45.33 H new ATOM 0 HB THR A 114 20.957 2.522 -36.624 1.00 73.24 H new ATOM 0 HG1 THR A 114 22.167 0.602 -36.357 1.00 32.32 H new ATOM 0 HG21 THR A 114 23.098 2.359 -37.837 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.732 4.038 -37.371 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.934 3.101 -36.452 1.00 73.44 H new ATOM 1714 N VAL A 115 22.614 5.726 -35.223 1.00 21.22 N ATOM 1715 CA VAL A 115 22.596 7.113 -35.674 1.00 72.13 C ATOM 1716 C VAL A 115 23.221 7.250 -37.057 1.00 32.00 C ATOM 1717 O VAL A 115 24.292 6.711 -37.338 1.00 71.13 O ATOM 1718 CB VAL A 115 23.344 8.033 -34.691 1.00 34.51 C ATOM 1719 CG1 VAL A 115 23.299 9.476 -35.169 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.759 7.907 -33.293 1.00 0.35 C ATOM 0 H VAL A 115 23.487 5.438 -34.781 1.00 21.22 H new ATOM 0 HA VAL A 115 21.550 7.417 -35.720 1.00 72.13 H new ATOM 0 HB VAL A 115 24.388 7.721 -34.652 1.00 34.51 H new ATOM 0 HG11 VAL A 115 23.833 10.110 -34.461 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.770 9.549 -36.149 1.00 32.02 H new ATOM 0 HG13 VAL A 115 22.262 9.804 -35.239 1.00 32.02 H new ATOM 0 HG21 VAL A 115 23.300 8.564 -32.612 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.707 8.191 -33.312 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.851 6.876 -32.952 1.00 0.35 H new ATOM 1730 N PRO A 116 22.539 7.988 -37.945 1.00 23.44 N ATOM 1731 CA PRO A 116 23.008 8.214 -39.315 1.00 12.20 C ATOM 1732 C PRO A 116 24.239 9.114 -39.365 1.00 62.14 C ATOM 1733 O PRO A 116 25.176 8.859 -40.121 1.00 15.32 O ATOM 1734 CB PRO A 116 21.818 8.897 -39.991 1.00 2.12 C ATOM 1735 CG PRO A 116 21.074 9.550 -38.877 1.00 24.01 C ATOM 1736 CD PRO A 116 21.255 8.659 -37.680 1.00 65.44 C ATOM 0 HA PRO A 116 23.314 7.286 -39.799 1.00 12.20 H new ATOM 0 HB2 PRO A 116 22.148 9.628 -40.729 1.00 2.12 H new ATOM 0 HB3 PRO A 116 21.192 8.175 -40.515 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.462 10.550 -38.682 1.00 24.01 H new ATOM 0 HG3 PRO A 116 20.018 9.661 -39.125 1.00 24.01 H new ATOM 0 HD2 PRO A 116 21.285 9.232 -36.753 1.00 65.44 H new ATOM 0 HD3 PRO A 116 20.439 7.942 -37.585 1.00 65.44 H new ATOM 1744 N ARG A 117 24.228 10.167 -38.554 1.00 4.04 N ATOM 1745 CA ARG A 117 25.343 11.105 -38.507 1.00 23.33 C ATOM 1746 C ARG A 117 25.745 11.399 -37.064 1.00 72.14 C ATOM 1747 O ARG A 117 24.941 11.891 -36.273 1.00 53.20 O ATOM 1748 CB ARG A 117 24.972 12.407 -39.220 1.00 24.40 C ATOM 1749 CG ARG A 117 26.094 13.432 -39.239 1.00 3.30 C ATOM 1750 CD ARG A 117 26.876 13.376 -40.542 1.00 34.14 C ATOM 1751 NE ARG A 117 28.029 14.274 -40.528 1.00 31.52 N ATOM 1752 CZ ARG A 117 28.647 14.692 -41.627 1.00 33.23 C ATOM 1753 NH1 ARG A 117 28.227 14.297 -42.820 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 29.689 15.509 -41.533 1.00 55.12 N ATOM 0 H ARG A 117 23.460 10.392 -37.921 1.00 4.04 H new ATOM 0 HA ARG A 117 26.191 10.649 -39.017 1.00 23.33 H new ATOM 0 HB2 ARG A 117 24.682 12.180 -40.246 1.00 24.40 H new ATOM 0 HB3 ARG A 117 24.101 12.843 -38.731 1.00 24.40 H new ATOM 0 HG2 ARG A 117 25.678 14.431 -39.105 1.00 3.30 H new ATOM 0 HG3 ARG A 117 26.767 13.252 -38.401 1.00 3.30 H new ATOM 0 HD2 ARG A 117 27.214 12.355 -40.718 1.00 34.14 H new ATOM 0 HD3 ARG A 117 26.219 13.642 -41.370 1.00 34.14 H new ATOM 0 HE ARG A 117 28.378 14.597 -39.626 1.00 31.52 H new ATOM 0 HH11 ARG A 117 27.426 13.670 -42.897 1.00 32.32 H new ATOM 0 HH12 ARG A 117 28.704 14.620 -43.661 1.00 32.32 H new ATOM 0 HH21 ARG A 117 30.015 15.816 -40.617 1.00 55.12 H new ATOM 0 HH22 ARG A 117 30.163 15.830 -42.377 1.00 55.12 H new