USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 713 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 69 ASN : amide:sc= 0 X(o=-0.03,f=-0.48) USER MOD Set 1.2: A 100 MET CE :methyl -172:sc= -0.0299 (180deg=-0.164) USER MOD Set 2.1: A 21 THR OG1 : rot 78:sc= 0.963 USER MOD Set 2.2: A 41 SER OG : rot 30:sc= -0.248 USER MOD Set 3.1: A 16 CYS SG : rot -97:sc= -4.84! USER MOD Set 3.2: A 59 TYR OH : rot -108:sc= -0.0525 USER MOD Single : A 14 ASN : amide:sc= -0.0162 K(o=-0.016,f=-0.86) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -164:sc= -0.958 (180deg=-1.6) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.708 F(o=-3.9!,f=-0.71) USER MOD Single : A 26 THR OG1 : rot -140:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HE2:sc= -2.84! C(o=-2.8!,f=-5.3!) USER MOD Single : A 37 CYS SG : rot -6:sc= 0.0777 USER MOD Single : A 43 GLN : amide:sc= -0.638 K(o=-0.64,f=-2!) USER MOD Single : A 47 CYS SG : rot 160:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc=-0.000203 F(o=-1.1,f=-0.0002) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0182) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.543 (180deg=0.541) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 68 SER OG : rot -53:sc= 1.01 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= -0.0146 (180deg=-0.103) USER MOD Single : A 75 ASN : amide:sc=-0.00388 K(o=-0.0039,f=-5!) USER MOD Single : A 81 ASN : amide:sc= 0.181 K(o=0.18,f=-0.33) USER MOD Single : A 84 CYS SG : rot 5:sc= -0.895 USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 95 MET CE :methyl 174:sc= -0.919 (180deg=-0.963) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -8.733 16.779 -6.686 1.00 74.54 N ATOM 147 CA ALA A 11 -8.508 15.363 -7.043 1.00 61.05 C ATOM 148 C ALA A 11 -7.003 14.983 -6.959 1.00 73.14 C ATOM 149 O ALA A 11 -6.616 13.916 -7.421 1.00 63.52 O ATOM 150 CB ALA A 11 -9.065 15.100 -8.449 1.00 31.30 C ATOM 0 HA ALA A 11 -9.033 14.734 -6.324 1.00 61.05 H new ATOM 0 HB1 ALA A 11 -8.901 14.056 -8.716 1.00 31.30 H new ATOM 0 HB2 ALA A 11 -10.134 15.314 -8.463 1.00 31.30 H new ATOM 0 HB3 ALA A 11 -8.557 15.743 -9.168 1.00 31.30 H new ATOM 156 N VAL A 12 -6.166 15.859 -6.349 1.00 41.14 N ATOM 157 CA VAL A 12 -4.697 15.648 -6.221 1.00 53.04 C ATOM 158 C VAL A 12 -4.362 14.449 -5.286 1.00 11.44 C ATOM 159 O VAL A 12 -3.740 13.469 -5.719 1.00 61.15 O ATOM 160 CB VAL A 12 -3.984 16.959 -5.699 1.00 72.21 C ATOM 161 CG1 VAL A 12 -2.451 16.773 -5.558 1.00 51.21 C ATOM 162 CG2 VAL A 12 -4.318 18.169 -6.607 1.00 64.11 C ATOM 0 H VAL A 12 -6.488 16.732 -5.931 1.00 41.14 H new ATOM 0 HA VAL A 12 -4.320 15.412 -7.216 1.00 53.04 H new ATOM 0 HB VAL A 12 -4.373 17.162 -4.701 1.00 72.21 H new ATOM 0 HG11 VAL A 12 -2.004 17.699 -5.197 1.00 51.21 H new ATOM 0 HG12 VAL A 12 -2.245 15.970 -4.850 1.00 51.21 H new ATOM 0 HG13 VAL A 12 -2.025 16.519 -6.528 1.00 51.21 H new ATOM 0 HG21 VAL A 12 -3.816 19.059 -6.227 1.00 64.11 H new ATOM 0 HG22 VAL A 12 -3.978 17.966 -7.623 1.00 64.11 H new ATOM 0 HG23 VAL A 12 -5.395 18.334 -6.611 1.00 64.11 H new ATOM 172 N ARG A 13 -4.768 14.545 -4.000 1.00 14.44 N ATOM 173 CA ARG A 13 -4.573 13.447 -3.019 1.00 15.12 C ATOM 174 C ARG A 13 -5.540 12.270 -3.297 1.00 12.42 C ATOM 175 O ARG A 13 -5.193 11.110 -3.076 1.00 3.35 O ATOM 176 CB ARG A 13 -4.701 13.969 -1.549 1.00 24.11 C ATOM 177 CG ARG A 13 -4.642 12.852 -0.464 1.00 10.23 C ATOM 178 CD ARG A 13 -4.042 13.292 0.889 1.00 51.53 C ATOM 179 NE ARG A 13 -4.858 14.291 1.611 1.00 40.25 N ATOM 180 CZ ARG A 13 -4.943 14.385 2.926 1.00 61.43 C ATOM 181 NH1 ARG A 13 -4.377 13.507 3.707 1.00 73.42 N ATOM 182 NH2 ARG A 13 -5.612 15.355 3.453 1.00 62.23 N ATOM 0 H ARG A 13 -5.232 15.368 -3.615 1.00 14.44 H new ATOM 0 HA ARG A 13 -3.558 13.068 -3.139 1.00 15.12 H new ATOM 0 HB2 ARG A 13 -3.902 14.686 -1.360 1.00 24.11 H new ATOM 0 HB3 ARG A 13 -5.643 14.508 -1.448 1.00 24.11 H new ATOM 0 HG2 ARG A 13 -5.651 12.478 -0.293 1.00 10.23 H new ATOM 0 HG3 ARG A 13 -4.055 12.019 -0.852 1.00 10.23 H new ATOM 0 HD2 ARG A 13 -3.917 12.414 1.522 1.00 51.53 H new ATOM 0 HD3 ARG A 13 -3.048 13.705 0.717 1.00 51.53 H new ATOM 0 HE ARG A 13 -5.394 14.956 1.054 1.00 40.25 H new ATOM 0 HH11 ARG A 13 -3.856 12.728 3.305 1.00 73.42 H new ATOM 0 HH12 ARG A 13 -4.456 13.600 4.720 1.00 73.42 H new ATOM 0 HH21 ARG A 13 -6.071 16.042 2.855 1.00 62.23 H new ATOM 0 HH22 ARG A 13 -5.682 15.434 4.468 1.00 62.23 H new ATOM 196 N ASN A 14 -6.744 12.579 -3.823 1.00 43.44 N ATOM 197 CA ASN A 14 -7.744 11.547 -4.182 1.00 71.43 C ATOM 198 C ASN A 14 -7.209 10.618 -5.313 1.00 23.12 C ATOM 199 O ASN A 14 -7.482 9.422 -5.312 1.00 55.13 O ATOM 200 CB ASN A 14 -9.087 12.205 -4.602 1.00 34.21 C ATOM 201 CG ASN A 14 -10.282 11.249 -4.485 1.00 21.41 C ATOM 202 OD1 ASN A 14 -10.341 10.419 -3.579 1.00 73.00 O ATOM 203 ND2 ASN A 14 -11.230 11.341 -5.397 1.00 44.01 N ATOM 0 H ASN A 14 -7.049 13.534 -4.009 1.00 43.44 H new ATOM 0 HA ASN A 14 -7.924 10.933 -3.299 1.00 71.43 H new ATOM 0 HB2 ASN A 14 -9.267 13.081 -3.979 1.00 34.21 H new ATOM 0 HB3 ASN A 14 -9.008 12.556 -5.631 1.00 34.21 H new ATOM 0 HD21 ASN A 14 -12.035 10.716 -5.361 1.00 44.01 H new ATOM 0 HD22 ASN A 14 -11.158 12.038 -6.139 1.00 44.01 H new ATOM 210 N LYS A 15 -6.431 11.206 -6.253 1.00 41.22 N ATOM 211 CA LYS A 15 -5.696 10.461 -7.318 1.00 32.14 C ATOM 212 C LYS A 15 -4.730 9.417 -6.704 1.00 62.14 C ATOM 213 O LYS A 15 -4.666 8.271 -7.152 1.00 54.22 O ATOM 214 CB LYS A 15 -4.886 11.469 -8.192 1.00 40.21 C ATOM 215 CG LYS A 15 -4.061 10.860 -9.356 1.00 24.23 C ATOM 216 CD LYS A 15 -4.947 10.260 -10.466 1.00 55.32 C ATOM 217 CE LYS A 15 -4.136 9.661 -11.629 1.00 75.32 C ATOM 218 NZ LYS A 15 -5.024 9.123 -12.696 1.00 4.03 N ATOM 0 H LYS A 15 -6.291 12.215 -6.299 1.00 41.22 H new ATOM 0 HA LYS A 15 -6.424 9.933 -7.934 1.00 32.14 H new ATOM 0 HB2 LYS A 15 -5.582 12.196 -8.610 1.00 40.21 H new ATOM 0 HB3 LYS A 15 -4.206 12.017 -7.540 1.00 40.21 H new ATOM 0 HG2 LYS A 15 -3.422 11.632 -9.785 1.00 24.23 H new ATOM 0 HG3 LYS A 15 -3.404 10.084 -8.963 1.00 24.23 H new ATOM 0 HD2 LYS A 15 -5.582 9.485 -10.037 1.00 55.32 H new ATOM 0 HD3 LYS A 15 -5.608 11.035 -10.853 1.00 55.32 H new ATOM 0 HE2 LYS A 15 -3.483 10.426 -12.050 1.00 75.32 H new ATOM 0 HE3 LYS A 15 -3.494 8.864 -11.253 1.00 75.32 H new ATOM 0 HZ1 LYS A 15 -4.444 8.727 -13.463 1.00 4.03 H new ATOM 0 HZ2 LYS A 15 -5.630 8.376 -12.300 1.00 4.03 H new ATOM 0 HZ3 LYS A 15 -5.619 9.889 -13.071 1.00 4.03 H new ATOM 232 N CYS A 16 -3.990 9.860 -5.672 1.00 74.43 N ATOM 233 CA CYS A 16 -3.025 9.020 -4.930 1.00 2.21 C ATOM 234 C CYS A 16 -3.710 7.827 -4.241 1.00 42.24 C ATOM 235 O CYS A 16 -3.228 6.695 -4.339 1.00 34.12 O ATOM 236 CB CYS A 16 -2.281 9.874 -3.898 1.00 13.11 C ATOM 237 SG CYS A 16 -1.153 8.952 -2.849 1.00 1.40 S ATOM 0 H CYS A 16 -4.043 10.818 -5.325 1.00 74.43 H new ATOM 0 HA CYS A 16 -2.314 8.614 -5.650 1.00 2.21 H new ATOM 0 HB2 CYS A 16 -1.720 10.649 -4.421 1.00 13.11 H new ATOM 0 HB3 CYS A 16 -3.012 10.380 -3.268 1.00 13.11 H new ATOM 0 HG CYS A 16 -1.740 8.668 -1.724 1.00 1.40 H new ATOM 243 N ARG A 17 -4.843 8.103 -3.560 1.00 21.00 N ATOM 244 CA ARG A 17 -5.706 7.068 -2.958 1.00 60.12 C ATOM 245 C ARG A 17 -6.173 6.038 -4.015 1.00 24.22 C ATOM 246 O ARG A 17 -6.052 4.842 -3.796 1.00 61.51 O ATOM 247 CB ARG A 17 -6.936 7.723 -2.261 1.00 22.10 C ATOM 248 CG ARG A 17 -7.970 6.713 -1.692 1.00 34.20 C ATOM 249 CD ARG A 17 -9.171 7.394 -1.015 1.00 44.53 C ATOM 250 NE ARG A 17 -10.249 6.433 -0.694 1.00 44.43 N ATOM 251 CZ ARG A 17 -11.123 6.560 0.283 1.00 14.01 C ATOM 252 NH1 ARG A 17 -11.062 7.556 1.111 1.00 75.15 N ATOM 253 NH2 ARG A 17 -12.068 5.687 0.419 1.00 31.23 N ATOM 0 H ARG A 17 -5.184 9.053 -3.413 1.00 21.00 H new ATOM 0 HA ARG A 17 -5.117 6.537 -2.210 1.00 60.12 H new ATOM 0 HB2 ARG A 17 -6.582 8.357 -1.448 1.00 22.10 H new ATOM 0 HB3 ARG A 17 -7.439 8.374 -2.977 1.00 22.10 H new ATOM 0 HG2 ARG A 17 -8.329 6.076 -2.500 1.00 34.20 H new ATOM 0 HG3 ARG A 17 -7.475 6.063 -0.971 1.00 34.20 H new ATOM 0 HD2 ARG A 17 -8.840 7.885 -0.100 1.00 44.53 H new ATOM 0 HD3 ARG A 17 -9.563 8.172 -1.671 1.00 44.53 H new ATOM 0 HE ARG A 17 -10.322 5.601 -1.279 1.00 44.43 H new ATOM 0 HH11 ARG A 17 -10.328 8.258 1.012 1.00 75.15 H new ATOM 0 HH12 ARG A 17 -11.748 7.638 1.862 1.00 75.15 H new ATOM 0 HH21 ARG A 17 -12.135 4.903 -0.230 1.00 31.23 H new ATOM 0 HH22 ARG A 17 -12.746 5.783 1.175 1.00 31.23 H new ATOM 267 N GLU A 18 -6.668 6.526 -5.173 1.00 75.12 N ATOM 268 CA GLU A 18 -7.160 5.658 -6.279 1.00 30.51 C ATOM 269 C GLU A 18 -6.059 4.722 -6.828 1.00 33.33 C ATOM 270 O GLU A 18 -6.340 3.572 -7.177 1.00 71.24 O ATOM 271 CB GLU A 18 -7.741 6.512 -7.438 1.00 11.32 C ATOM 272 CG GLU A 18 -9.039 7.267 -7.095 1.00 4.31 C ATOM 273 CD GLU A 18 -9.563 8.107 -8.269 1.00 64.22 C ATOM 274 OE1 GLU A 18 -10.243 7.544 -9.159 1.00 34.12 O ATOM 275 OE2 GLU A 18 -9.264 9.321 -8.338 1.00 33.25 O ATOM 0 H GLU A 18 -6.740 7.524 -5.372 1.00 75.12 H new ATOM 0 HA GLU A 18 -7.948 5.036 -5.855 1.00 30.51 H new ATOM 0 HB2 GLU A 18 -6.988 7.236 -7.751 1.00 11.32 H new ATOM 0 HB3 GLU A 18 -7.931 5.861 -8.291 1.00 11.32 H new ATOM 0 HG2 GLU A 18 -9.804 6.550 -6.797 1.00 4.31 H new ATOM 0 HG3 GLU A 18 -8.861 7.918 -6.239 1.00 4.31 H new ATOM 282 N MET A 19 -4.814 5.231 -6.902 1.00 34.34 N ATOM 283 CA MET A 19 -3.655 4.448 -7.375 1.00 73.11 C ATOM 284 C MET A 19 -3.224 3.383 -6.339 1.00 33.33 C ATOM 285 O MET A 19 -3.007 2.227 -6.707 1.00 51.04 O ATOM 286 CB MET A 19 -2.474 5.385 -7.752 1.00 10.12 C ATOM 287 CG MET A 19 -2.750 6.278 -8.977 1.00 74.11 C ATOM 288 SD MET A 19 -1.338 7.307 -9.453 1.00 73.54 S ATOM 289 CE MET A 19 -1.170 8.394 -8.036 1.00 45.43 C ATOM 0 H MET A 19 -4.584 6.189 -6.638 1.00 34.34 H new ATOM 0 HA MET A 19 -3.960 3.913 -8.274 1.00 73.11 H new ATOM 0 HB2 MET A 19 -2.240 6.020 -6.897 1.00 10.12 H new ATOM 0 HB3 MET A 19 -1.590 4.778 -7.949 1.00 10.12 H new ATOM 0 HG2 MET A 19 -3.031 5.647 -9.821 1.00 74.11 H new ATOM 0 HG3 MET A 19 -3.603 6.922 -8.763 1.00 74.11 H new ATOM 0 HE1 MET A 19 -0.544 9.246 -8.303 1.00 45.43 H new ATOM 0 HE2 MET A 19 -2.154 8.748 -7.731 1.00 45.43 H new ATOM 0 HE3 MET A 19 -0.709 7.849 -7.212 1.00 45.43 H new ATOM 299 N LEU A 20 -3.105 3.775 -5.047 1.00 74.42 N ATOM 300 CA LEU A 20 -2.768 2.828 -3.943 1.00 41.41 C ATOM 301 C LEU A 20 -3.835 1.716 -3.814 1.00 65.35 C ATOM 302 O LEU A 20 -3.507 0.549 -3.609 1.00 21.34 O ATOM 303 CB LEU A 20 -2.626 3.570 -2.586 1.00 45.21 C ATOM 304 CG LEU A 20 -1.420 4.554 -2.436 1.00 15.04 C ATOM 305 CD1 LEU A 20 -1.473 5.282 -1.069 1.00 72.33 C ATOM 306 CD2 LEU A 20 -0.059 3.823 -2.635 1.00 63.42 C ATOM 0 H LEU A 20 -3.236 4.738 -4.739 1.00 74.42 H new ATOM 0 HA LEU A 20 -1.811 2.372 -4.196 1.00 41.41 H new ATOM 0 HB2 LEU A 20 -3.544 4.130 -2.409 1.00 45.21 H new ATOM 0 HB3 LEU A 20 -2.552 2.822 -1.797 1.00 45.21 H new ATOM 0 HG LEU A 20 -1.502 5.305 -3.222 1.00 15.04 H new ATOM 0 HD11 LEU A 20 -0.625 5.962 -0.986 1.00 72.33 H new ATOM 0 HD12 LEU A 20 -2.401 5.849 -0.994 1.00 72.33 H new ATOM 0 HD13 LEU A 20 -1.430 4.548 -0.264 1.00 72.33 H new ATOM 0 HD21 LEU A 20 0.757 4.537 -2.524 1.00 63.42 H new ATOM 0 HD22 LEU A 20 0.044 3.036 -1.888 1.00 63.42 H new ATOM 0 HD23 LEU A 20 -0.024 3.384 -3.632 1.00 63.42 H new ATOM 318 N THR A 21 -5.110 2.114 -3.954 1.00 23.03 N ATOM 319 CA THR A 21 -6.268 1.194 -3.948 1.00 42.34 C ATOM 320 C THR A 21 -6.221 0.238 -5.167 1.00 33.40 C ATOM 321 O THR A 21 -6.541 -0.950 -5.045 1.00 73.24 O ATOM 322 CB THR A 21 -7.628 1.985 -3.951 1.00 43.43 C ATOM 323 OG1 THR A 21 -7.716 2.852 -2.808 1.00 23.14 O ATOM 324 CG2 THR A 21 -8.844 1.054 -3.928 1.00 4.32 C ATOM 0 H THR A 21 -5.372 3.092 -4.076 1.00 23.03 H new ATOM 0 HA THR A 21 -6.209 0.607 -3.032 1.00 42.34 H new ATOM 0 HB THR A 21 -7.639 2.563 -4.875 1.00 43.43 H new ATOM 0 HG1 THR A 21 -7.171 3.652 -2.961 1.00 23.14 H new ATOM 0 HG21 THR A 21 -9.758 1.649 -3.931 1.00 4.32 H new ATOM 0 HG22 THR A 21 -8.827 0.411 -4.808 1.00 4.32 H new ATOM 0 HG23 THR A 21 -8.814 0.439 -3.029 1.00 4.32 H new ATOM 332 N ALA A 22 -5.808 0.777 -6.337 1.00 44.35 N ATOM 333 CA ALA A 22 -5.616 -0.009 -7.582 1.00 44.40 C ATOM 334 C ALA A 22 -4.466 -1.037 -7.441 1.00 45.42 C ATOM 335 O ALA A 22 -4.530 -2.123 -8.011 1.00 34.21 O ATOM 336 CB ALA A 22 -5.364 0.924 -8.774 1.00 52.32 C ATOM 0 H ALA A 22 -5.598 1.769 -6.447 1.00 44.35 H new ATOM 0 HA ALA A 22 -6.534 -0.568 -7.762 1.00 44.40 H new ATOM 0 HB1 ALA A 22 -5.226 0.330 -9.678 1.00 52.32 H new ATOM 0 HB2 ALA A 22 -6.219 1.588 -8.903 1.00 52.32 H new ATOM 0 HB3 ALA A 22 -4.468 1.517 -8.589 1.00 52.32 H new ATOM 342 N ALA A 23 -3.423 -0.663 -6.677 1.00 3.13 N ATOM 343 CA ALA A 23 -2.300 -1.561 -6.313 1.00 12.51 C ATOM 344 C ALA A 23 -2.761 -2.729 -5.413 1.00 70.54 C ATOM 345 O ALA A 23 -2.170 -3.812 -5.429 1.00 73.42 O ATOM 346 CB ALA A 23 -1.210 -0.760 -5.597 1.00 24.33 C ATOM 0 H ALA A 23 -3.331 0.276 -6.290 1.00 3.13 H new ATOM 0 HA ALA A 23 -1.907 -1.988 -7.235 1.00 12.51 H new ATOM 0 HB1 ALA A 23 -0.387 -1.423 -5.331 1.00 24.33 H new ATOM 0 HB2 ALA A 23 -0.844 0.027 -6.257 1.00 24.33 H new ATOM 0 HB3 ALA A 23 -1.622 -0.312 -4.693 1.00 24.33 H new ATOM 352 N LEU A 24 -3.807 -2.478 -4.604 1.00 15.04 N ATOM 353 CA LEU A 24 -4.400 -3.501 -3.716 1.00 40.41 C ATOM 354 C LEU A 24 -5.354 -4.447 -4.486 1.00 74.33 C ATOM 355 O LEU A 24 -5.374 -5.656 -4.239 1.00 2.42 O ATOM 356 CB LEU A 24 -5.130 -2.824 -2.521 1.00 64.14 C ATOM 357 CG LEU A 24 -4.254 -1.865 -1.645 1.00 5.43 C ATOM 358 CD1 LEU A 24 -5.032 -1.343 -0.415 1.00 15.34 C ATOM 359 CD2 LEU A 24 -2.911 -2.528 -1.241 1.00 21.04 C ATOM 0 H LEU A 24 -4.264 -1.568 -4.546 1.00 15.04 H new ATOM 0 HA LEU A 24 -3.588 -4.114 -3.325 1.00 40.41 H new ATOM 0 HB2 LEU A 24 -5.977 -2.259 -2.910 1.00 64.14 H new ATOM 0 HB3 LEU A 24 -5.536 -3.605 -1.878 1.00 64.14 H new ATOM 0 HG LEU A 24 -4.011 -0.998 -2.259 1.00 5.43 H new ATOM 0 HD11 LEU A 24 -4.391 -0.681 0.167 1.00 15.34 H new ATOM 0 HD12 LEU A 24 -5.913 -0.794 -0.748 1.00 15.34 H new ATOM 0 HD13 LEU A 24 -5.342 -2.185 0.204 1.00 15.34 H new ATOM 0 HD21 LEU A 24 -2.330 -1.833 -0.634 1.00 21.04 H new ATOM 0 HD22 LEU A 24 -3.110 -3.433 -0.666 1.00 21.04 H new ATOM 0 HD23 LEU A 24 -2.348 -2.785 -2.138 1.00 21.04 H new ATOM 371 N GLN A 25 -6.124 -3.882 -5.439 1.00 54.45 N ATOM 372 CA GLN A 25 -7.138 -4.641 -6.228 1.00 22.50 C ATOM 373 C GLN A 25 -6.608 -5.051 -7.630 1.00 34.24 C ATOM 374 O GLN A 25 -7.383 -5.527 -8.458 1.00 35.14 O ATOM 375 CB GLN A 25 -8.447 -3.805 -6.377 1.00 71.23 C ATOM 376 CG GLN A 25 -8.312 -2.552 -7.267 1.00 32.22 C ATOM 377 CD GLN A 25 -9.604 -1.740 -7.386 1.00 4.20 C ATOM 378 OE1 GLN A 25 -9.786 -0.777 -6.510 1.00 53.54 O flip ATOM 379 NE2 GLN A 25 -10.420 -1.968 -8.268 1.00 23.32 N flip ATOM 0 H GLN A 25 -6.067 -2.894 -5.688 1.00 54.45 H new ATOM 0 HA GLN A 25 -7.351 -5.557 -5.677 1.00 22.50 H new ATOM 0 HB2 GLN A 25 -9.226 -4.445 -6.790 1.00 71.23 H new ATOM 0 HB3 GLN A 25 -8.780 -3.496 -5.386 1.00 71.23 H new ATOM 0 HG2 GLN A 25 -7.527 -1.913 -6.862 1.00 32.22 H new ATOM 0 HG3 GLN A 25 -7.992 -2.857 -8.263 1.00 32.22 H new ATOM 0 HE21 GLN A 25 -10.253 -2.722 -8.935 1.00 23.32 H new ATOM 0 HE22 GLN A 25 -11.267 -1.404 -8.337 1.00 23.32 H new ATOM 388 N THR A 26 -5.291 -4.880 -7.880 1.00 4.53 N ATOM 389 CA THR A 26 -4.641 -5.224 -9.188 1.00 4.00 C ATOM 390 C THR A 26 -4.912 -6.689 -9.627 1.00 30.02 C ATOM 391 O THR A 26 -5.217 -6.960 -10.793 1.00 13.20 O ATOM 392 CB THR A 26 -3.088 -4.968 -9.147 1.00 31.31 C ATOM 393 OG1 THR A 26 -2.471 -5.348 -10.392 1.00 54.25 O ATOM 394 CG2 THR A 26 -2.403 -5.712 -7.987 1.00 55.24 C ATOM 0 H THR A 26 -4.641 -4.502 -7.191 1.00 4.53 H new ATOM 0 HA THR A 26 -5.095 -4.563 -9.926 1.00 4.00 H new ATOM 0 HB THR A 26 -2.955 -3.898 -8.986 1.00 31.31 H new ATOM 0 HG1 THR A 26 -1.614 -5.787 -10.212 1.00 54.25 H new ATOM 0 HG21 THR A 26 -1.333 -5.503 -8.002 1.00 55.24 H new ATOM 0 HG22 THR A 26 -2.825 -5.376 -7.040 1.00 55.24 H new ATOM 0 HG23 THR A 26 -2.565 -6.784 -8.096 1.00 55.24 H new ATOM 402 N ASP A 27 -4.822 -7.612 -8.658 1.00 61.14 N ATOM 403 CA ASP A 27 -5.085 -9.050 -8.859 1.00 3.43 C ATOM 404 C ASP A 27 -6.606 -9.355 -8.691 1.00 20.02 C ATOM 405 O ASP A 27 -7.115 -10.339 -9.236 1.00 64.32 O ATOM 406 CB ASP A 27 -4.226 -9.845 -7.831 1.00 53.34 C ATOM 407 CG ASP A 27 -4.160 -11.358 -8.116 1.00 4.23 C ATOM 408 OD1 ASP A 27 -5.051 -12.104 -7.671 1.00 55.22 O ATOM 409 OD2 ASP A 27 -3.217 -11.805 -8.800 1.00 41.05 O ATOM 0 H ASP A 27 -4.561 -7.381 -7.699 1.00 61.14 H new ATOM 0 HA ASP A 27 -4.811 -9.351 -9.870 1.00 3.43 H new ATOM 0 HB2 ASP A 27 -3.214 -9.441 -7.827 1.00 53.34 H new ATOM 0 HB3 ASP A 27 -4.635 -9.690 -6.833 1.00 53.34 H new ATOM 414 N HIS A 28 -7.302 -8.470 -7.922 1.00 31.23 N ATOM 415 CA HIS A 28 -8.735 -8.605 -7.507 1.00 12.44 C ATOM 416 C HIS A 28 -8.979 -9.766 -6.499 1.00 24.24 C ATOM 417 O HIS A 28 -10.125 -10.044 -6.129 1.00 50.12 O ATOM 418 CB HIS A 28 -9.697 -8.687 -8.731 1.00 24.44 C ATOM 419 CG HIS A 28 -9.689 -7.454 -9.599 1.00 11.22 C ATOM 420 ND1 HIS A 28 -9.042 -7.380 -10.815 1.00 33.14 N ATOM 421 CD2 HIS A 28 -10.259 -6.242 -9.411 1.00 62.35 C ATOM 422 CE1 HIS A 28 -9.211 -6.179 -11.327 1.00 54.04 C ATOM 423 NE2 HIS A 28 -9.946 -5.469 -10.501 1.00 15.14 N ATOM 0 H HIS A 28 -6.872 -7.618 -7.562 1.00 31.23 H new ATOM 0 HA HIS A 28 -8.972 -7.687 -6.969 1.00 12.44 H new ATOM 0 HB2 HIS A 28 -9.423 -9.549 -9.339 1.00 24.44 H new ATOM 0 HB3 HIS A 28 -10.712 -8.860 -8.372 1.00 24.44 H new ATOM 0 HD2 HIS A 28 -10.851 -5.939 -8.560 1.00 62.35 H new ATOM 0 HE1 HIS A 28 -8.812 -5.834 -12.270 1.00 54.04 H new ATOM 0 HE2 HIS A 28 -10.236 -4.502 -10.646 1.00 15.14 H new ATOM 432 N ASP A 29 -7.882 -10.408 -6.031 1.00 23.44 N ATOM 433 CA ASP A 29 -7.907 -11.366 -4.894 1.00 24.12 C ATOM 434 C ASP A 29 -8.321 -10.650 -3.577 1.00 64.11 C ATOM 435 O ASP A 29 -8.861 -11.268 -2.658 1.00 61.42 O ATOM 436 CB ASP A 29 -6.509 -12.015 -4.739 1.00 41.04 C ATOM 437 CG ASP A 29 -6.471 -13.150 -3.707 1.00 62.41 C ATOM 438 OD1 ASP A 29 -6.824 -14.294 -4.062 1.00 14.24 O ATOM 439 OD2 ASP A 29 -6.095 -12.910 -2.545 1.00 61.54 O ATOM 0 H ASP A 29 -6.952 -10.278 -6.430 1.00 23.44 H new ATOM 0 HA ASP A 29 -8.645 -12.141 -5.100 1.00 24.12 H new ATOM 0 HB2 ASP A 29 -6.188 -12.403 -5.706 1.00 41.04 H new ATOM 0 HB3 ASP A 29 -5.791 -11.248 -4.450 1.00 41.04 H new ATOM 444 N HIS A 30 -8.049 -9.335 -3.533 1.00 43.33 N ATOM 445 CA HIS A 30 -8.443 -8.431 -2.434 1.00 42.54 C ATOM 446 C HIS A 30 -9.988 -8.432 -2.246 1.00 71.21 C ATOM 447 O HIS A 30 -10.488 -8.413 -1.122 1.00 41.21 O ATOM 448 CB HIS A 30 -7.907 -6.996 -2.758 1.00 21.32 C ATOM 449 CG HIS A 30 -7.462 -6.196 -1.557 1.00 60.55 C ATOM 450 ND1 HIS A 30 -8.292 -5.383 -0.838 1.00 43.11 N ATOM 451 CD2 HIS A 30 -6.244 -6.084 -0.963 1.00 31.24 C ATOM 452 CE1 HIS A 30 -7.616 -4.818 0.136 1.00 54.35 C ATOM 453 NE2 HIS A 30 -6.373 -5.223 0.085 1.00 35.24 N ATOM 0 H HIS A 30 -7.538 -8.858 -4.276 1.00 43.33 H new ATOM 0 HA HIS A 30 -8.009 -8.774 -1.495 1.00 42.54 H new ATOM 0 HB2 HIS A 30 -7.068 -7.085 -3.448 1.00 21.32 H new ATOM 0 HB3 HIS A 30 -8.689 -6.441 -3.277 1.00 21.32 H new ATOM 0 HD1 HIS A 30 -9.283 -5.237 -1.028 1.00 43.11 H new ATOM 0 HD2 HIS A 30 -5.338 -6.587 -1.267 1.00 31.24 H new ATOM 0 HE1 HIS A 30 -8.021 -4.129 0.863 1.00 54.35 H new ATOM 462 N VAL A 31 -10.712 -8.482 -3.385 1.00 13.31 N ATOM 463 CA VAL A 31 -12.191 -8.574 -3.419 1.00 73.33 C ATOM 464 C VAL A 31 -12.654 -10.007 -3.033 1.00 24.21 C ATOM 465 O VAL A 31 -13.646 -10.178 -2.322 1.00 65.41 O ATOM 466 CB VAL A 31 -12.760 -8.207 -4.847 1.00 1.34 C ATOM 467 CG1 VAL A 31 -14.308 -8.081 -4.826 1.00 24.33 C ATOM 468 CG2 VAL A 31 -12.096 -6.922 -5.406 1.00 14.12 C ATOM 0 H VAL A 31 -10.287 -8.460 -4.312 1.00 13.31 H new ATOM 0 HA VAL A 31 -12.580 -7.857 -2.696 1.00 73.33 H new ATOM 0 HB VAL A 31 -12.508 -9.026 -5.520 1.00 1.34 H new ATOM 0 HG11 VAL A 31 -14.666 -7.828 -5.824 1.00 24.33 H new ATOM 0 HG12 VAL A 31 -14.746 -9.029 -4.513 1.00 24.33 H new ATOM 0 HG13 VAL A 31 -14.600 -7.298 -4.126 1.00 24.33 H new ATOM 0 HG21 VAL A 31 -12.509 -6.697 -6.389 1.00 14.12 H new ATOM 0 HG22 VAL A 31 -12.291 -6.089 -4.731 1.00 14.12 H new ATOM 0 HG23 VAL A 31 -11.020 -7.076 -5.491 1.00 14.12 H new ATOM 478 N ALA A 32 -11.900 -11.020 -3.520 1.00 13.11 N ATOM 479 CA ALA A 32 -12.173 -12.462 -3.270 1.00 33.01 C ATOM 480 C ALA A 32 -12.166 -12.821 -1.761 1.00 51.04 C ATOM 481 O ALA A 32 -13.026 -13.569 -1.288 1.00 65.02 O ATOM 482 CB ALA A 32 -11.155 -13.327 -4.034 1.00 53.05 C ATOM 0 H ALA A 32 -11.078 -10.862 -4.103 1.00 13.11 H new ATOM 0 HA ALA A 32 -13.179 -12.669 -3.635 1.00 33.01 H new ATOM 0 HB1 ALA A 32 -11.360 -14.381 -3.847 1.00 53.05 H new ATOM 0 HB2 ALA A 32 -11.236 -13.126 -5.102 1.00 53.05 H new ATOM 0 HB3 ALA A 32 -10.147 -13.088 -3.695 1.00 53.05 H new ATOM 488 N ILE A 33 -11.180 -12.279 -1.022 1.00 64.02 N ATOM 489 CA ILE A 33 -11.082 -12.439 0.453 1.00 14.44 C ATOM 490 C ILE A 33 -12.085 -11.499 1.190 1.00 11.33 C ATOM 491 O ILE A 33 -12.508 -11.785 2.314 1.00 41.30 O ATOM 492 CB ILE A 33 -9.599 -12.173 0.945 1.00 73.34 C ATOM 493 CG1 ILE A 33 -8.612 -13.170 0.244 1.00 1.41 C ATOM 494 CG2 ILE A 33 -9.461 -12.258 2.494 1.00 72.31 C ATOM 495 CD1 ILE A 33 -7.158 -13.062 0.677 1.00 75.01 C ATOM 0 H ILE A 33 -10.428 -11.718 -1.423 1.00 64.02 H new ATOM 0 HA ILE A 33 -11.348 -13.467 0.698 1.00 14.44 H new ATOM 0 HB ILE A 33 -9.340 -11.152 0.663 1.00 73.34 H new ATOM 0 HG12 ILE A 33 -8.955 -14.187 0.433 1.00 1.41 H new ATOM 0 HG13 ILE A 33 -8.665 -13.011 -0.833 1.00 1.41 H new ATOM 0 HG21 ILE A 33 -8.426 -12.068 2.778 1.00 72.31 H new ATOM 0 HG22 ILE A 33 -10.107 -11.513 2.958 1.00 72.31 H new ATOM 0 HG23 ILE A 33 -9.753 -13.252 2.831 1.00 72.31 H new ATOM 0 HD11 ILE A 33 -6.561 -13.794 0.133 1.00 75.01 H new ATOM 0 HD12 ILE A 33 -6.788 -12.060 0.462 1.00 75.01 H new ATOM 0 HD13 ILE A 33 -7.082 -13.255 1.747 1.00 75.01 H new ATOM 507 N GLY A 34 -12.476 -10.393 0.530 1.00 61.32 N ATOM 508 CA GLY A 34 -13.388 -9.403 1.124 1.00 3.12 C ATOM 509 C GLY A 34 -12.658 -8.307 1.905 1.00 73.01 C ATOM 510 O GLY A 34 -13.241 -7.675 2.795 1.00 11.33 O ATOM 0 H GLY A 34 -12.173 -10.164 -0.417 1.00 61.32 H new ATOM 0 HA2 GLY A 34 -13.981 -8.944 0.333 1.00 3.12 H new ATOM 0 HA3 GLY A 34 -14.084 -9.913 1.790 1.00 3.12 H new ATOM 514 N ALA A 35 -11.374 -8.094 1.578 1.00 74.32 N ATOM 515 CA ALA A 35 -10.561 -7.010 2.152 1.00 21.32 C ATOM 516 C ALA A 35 -10.923 -5.657 1.494 1.00 34.43 C ATOM 517 O ALA A 35 -10.887 -5.524 0.264 1.00 43.32 O ATOM 518 CB ALA A 35 -9.072 -7.333 1.974 1.00 44.54 C ATOM 0 H ALA A 35 -10.868 -8.671 0.906 1.00 74.32 H new ATOM 0 HA ALA A 35 -10.772 -6.927 3.218 1.00 21.32 H new ATOM 0 HB1 ALA A 35 -8.472 -6.529 2.400 1.00 44.54 H new ATOM 0 HB2 ALA A 35 -8.839 -8.268 2.483 1.00 44.54 H new ATOM 0 HB3 ALA A 35 -8.845 -7.432 0.912 1.00 44.54 H new ATOM 524 N ASP A 36 -11.271 -4.666 2.329 1.00 0.21 N ATOM 525 CA ASP A 36 -11.743 -3.336 1.877 1.00 3.53 C ATOM 526 C ASP A 36 -10.551 -2.451 1.422 1.00 42.34 C ATOM 527 O ASP A 36 -9.890 -1.817 2.246 1.00 4.15 O ATOM 528 CB ASP A 36 -12.524 -2.646 3.022 1.00 74.23 C ATOM 529 CG ASP A 36 -13.545 -3.574 3.688 1.00 72.44 C ATOM 530 OD1 ASP A 36 -13.169 -4.294 4.637 1.00 70.24 O ATOM 531 OD2 ASP A 36 -14.715 -3.599 3.258 1.00 64.41 O ATOM 0 H ASP A 36 -11.235 -4.759 3.344 1.00 0.21 H new ATOM 0 HA ASP A 36 -12.405 -3.470 1.022 1.00 3.53 H new ATOM 0 HB2 ASP A 36 -11.819 -2.290 3.773 1.00 74.23 H new ATOM 0 HB3 ASP A 36 -13.039 -1.770 2.628 1.00 74.23 H new ATOM 536 N CYS A 37 -10.301 -2.411 0.100 1.00 10.11 N ATOM 537 CA CYS A 37 -9.085 -1.786 -0.488 1.00 1.42 C ATOM 538 C CYS A 37 -9.002 -0.257 -0.277 1.00 3.42 C ATOM 539 O CYS A 37 -7.962 0.245 0.162 1.00 53.24 O ATOM 540 CB CYS A 37 -8.990 -2.148 -1.990 1.00 13.34 C ATOM 541 SG CYS A 37 -10.536 -1.929 -2.905 1.00 34.02 S ATOM 0 H CYS A 37 -10.931 -2.809 -0.596 1.00 10.11 H new ATOM 0 HA CYS A 37 -8.228 -2.195 0.047 1.00 1.42 H new ATOM 0 HB2 CYS A 37 -8.217 -1.534 -2.452 1.00 13.34 H new ATOM 0 HB3 CYS A 37 -8.670 -3.186 -2.083 1.00 13.34 H new ATOM 0 HG CYS A 37 -11.490 -1.621 -2.077 1.00 34.02 H new ATOM 547 N GLU A 38 -10.092 0.477 -0.579 1.00 41.12 N ATOM 548 CA GLU A 38 -10.106 1.958 -0.433 1.00 0.24 C ATOM 549 C GLU A 38 -10.095 2.398 1.052 1.00 51.25 C ATOM 550 O GLU A 38 -9.655 3.499 1.361 1.00 2.25 O ATOM 551 CB GLU A 38 -11.303 2.592 -1.187 1.00 13.21 C ATOM 552 CG GLU A 38 -12.690 2.246 -0.620 1.00 74.20 C ATOM 553 CD GLU A 38 -13.833 2.951 -1.365 1.00 42.04 C ATOM 554 OE1 GLU A 38 -14.182 4.093 -0.994 1.00 33.42 O ATOM 555 OE2 GLU A 38 -14.361 2.381 -2.343 1.00 30.21 O ATOM 0 H GLU A 38 -10.967 0.080 -0.922 1.00 41.12 H new ATOM 0 HA GLU A 38 -9.186 2.326 -0.888 1.00 0.24 H new ATOM 0 HB2 GLU A 38 -11.185 3.676 -1.179 1.00 13.21 H new ATOM 0 HB3 GLU A 38 -11.265 2.275 -2.229 1.00 13.21 H new ATOM 0 HG2 GLU A 38 -12.840 1.168 -0.672 1.00 74.20 H new ATOM 0 HG3 GLU A 38 -12.725 2.522 0.434 1.00 74.20 H new ATOM 562 N ARG A 39 -10.610 1.525 1.948 1.00 22.35 N ATOM 563 CA ARG A 39 -10.513 1.703 3.421 1.00 32.52 C ATOM 564 C ARG A 39 -9.037 1.693 3.893 1.00 0.40 C ATOM 565 O ARG A 39 -8.598 2.606 4.600 1.00 33.22 O ATOM 566 CB ARG A 39 -11.317 0.580 4.136 1.00 31.43 C ATOM 567 CG ARG A 39 -11.116 0.473 5.669 1.00 44.33 C ATOM 568 CD ARG A 39 -11.947 -0.665 6.285 1.00 51.04 C ATOM 569 NE ARG A 39 -11.641 -0.867 7.711 1.00 11.43 N ATOM 570 CZ ARG A 39 -12.526 -1.077 8.665 1.00 20.13 C ATOM 571 NH1 ARG A 39 -13.797 -1.012 8.440 1.00 13.01 N ATOM 572 NH2 ARG A 39 -12.120 -1.340 9.859 1.00 34.12 N ATOM 0 H ARG A 39 -11.105 0.676 1.673 1.00 22.35 H new ATOM 0 HA ARG A 39 -10.937 2.673 3.680 1.00 32.52 H new ATOM 0 HB2 ARG A 39 -12.377 0.737 3.938 1.00 31.43 H new ATOM 0 HB3 ARG A 39 -11.047 -0.376 3.686 1.00 31.43 H new ATOM 0 HG2 ARG A 39 -10.060 0.308 5.885 1.00 44.33 H new ATOM 0 HG3 ARG A 39 -11.393 1.418 6.137 1.00 44.33 H new ATOM 0 HD2 ARG A 39 -13.008 -0.441 6.171 1.00 51.04 H new ATOM 0 HD3 ARG A 39 -11.756 -1.589 5.739 1.00 51.04 H new ATOM 0 HE ARG A 39 -10.659 -0.842 7.984 1.00 11.43 H new ATOM 0 HH11 ARG A 39 -14.139 -0.793 7.504 1.00 13.01 H new ATOM 0 HH12 ARG A 39 -14.458 -1.179 9.198 1.00 13.01 H new ATOM 0 HH21 ARG A 39 -11.121 -1.384 10.060 1.00 34.12 H new ATOM 0 HH22 ARG A 39 -12.798 -1.504 10.604 1.00 34.12 H new ATOM 586 N LEU A 40 -8.282 0.647 3.474 1.00 3.12 N ATOM 587 CA LEU A 40 -6.851 0.492 3.831 1.00 70.25 C ATOM 588 C LEU A 40 -6.032 1.689 3.306 1.00 73.34 C ATOM 589 O LEU A 40 -5.314 2.336 4.063 1.00 42.13 O ATOM 590 CB LEU A 40 -6.262 -0.833 3.256 1.00 41.13 C ATOM 591 CG LEU A 40 -7.042 -2.148 3.573 1.00 3.41 C ATOM 592 CD1 LEU A 40 -6.312 -3.385 3.028 1.00 45.10 C ATOM 593 CD2 LEU A 40 -7.340 -2.308 5.072 1.00 61.42 C ATOM 0 H LEU A 40 -8.643 -0.104 2.886 1.00 3.12 H new ATOM 0 HA LEU A 40 -6.786 0.456 4.919 1.00 70.25 H new ATOM 0 HB2 LEU A 40 -6.193 -0.732 2.173 1.00 41.13 H new ATOM 0 HB3 LEU A 40 -5.245 -0.943 3.631 1.00 41.13 H new ATOM 0 HG LEU A 40 -8.000 -2.066 3.060 1.00 3.41 H new ATOM 0 HD11 LEU A 40 -6.885 -4.281 3.268 1.00 45.10 H new ATOM 0 HD12 LEU A 40 -6.209 -3.299 1.946 1.00 45.10 H new ATOM 0 HD13 LEU A 40 -5.324 -3.454 3.483 1.00 45.10 H new ATOM 0 HD21 LEU A 40 -7.884 -3.238 5.238 1.00 61.42 H new ATOM 0 HD22 LEU A 40 -6.403 -2.331 5.629 1.00 61.42 H new ATOM 0 HD23 LEU A 40 -7.945 -1.468 5.414 1.00 61.42 H new ATOM 605 N SER A 41 -6.204 1.974 1.998 1.00 1.21 N ATOM 606 CA SER A 41 -5.536 3.089 1.286 1.00 30.20 C ATOM 607 C SER A 41 -5.838 4.461 1.928 1.00 34.11 C ATOM 608 O SER A 41 -4.940 5.275 2.059 1.00 24.22 O ATOM 609 CB SER A 41 -5.967 3.095 -0.195 1.00 13.44 C ATOM 610 OG SER A 41 -5.436 4.197 -0.924 1.00 11.04 O ATOM 0 H SER A 41 -6.820 1.428 1.396 1.00 1.21 H new ATOM 0 HA SER A 41 -4.461 2.927 1.360 1.00 30.20 H new ATOM 0 HB2 SER A 41 -5.645 2.166 -0.665 1.00 13.44 H new ATOM 0 HB3 SER A 41 -7.055 3.120 -0.251 1.00 13.44 H new ATOM 0 HG SER A 41 -4.574 4.459 -0.539 1.00 11.04 H new ATOM 616 N ALA A 42 -7.106 4.678 2.336 1.00 4.23 N ATOM 617 CA ALA A 42 -7.559 5.929 3.005 1.00 54.22 C ATOM 618 C ALA A 42 -6.806 6.192 4.329 1.00 11.25 C ATOM 619 O ALA A 42 -6.440 7.330 4.642 1.00 63.54 O ATOM 620 CB ALA A 42 -9.068 5.857 3.283 1.00 4.24 C ATOM 0 H ALA A 42 -7.851 3.992 2.213 1.00 4.23 H new ATOM 0 HA ALA A 42 -7.339 6.754 2.328 1.00 54.22 H new ATOM 0 HB1 ALA A 42 -9.392 6.775 3.772 1.00 4.24 H new ATOM 0 HB2 ALA A 42 -9.606 5.738 2.343 1.00 4.24 H new ATOM 0 HB3 ALA A 42 -9.278 5.007 3.932 1.00 4.24 H new ATOM 626 N GLN A 43 -6.605 5.115 5.099 1.00 12.52 N ATOM 627 CA GLN A 43 -5.886 5.159 6.386 1.00 32.34 C ATOM 628 C GLN A 43 -4.346 5.239 6.183 1.00 21.12 C ATOM 629 O GLN A 43 -3.626 5.741 7.050 1.00 44.22 O ATOM 630 CB GLN A 43 -6.285 3.933 7.236 1.00 52.30 C ATOM 631 CG GLN A 43 -7.787 3.871 7.594 1.00 42.32 C ATOM 632 CD GLN A 43 -8.183 2.619 8.386 1.00 65.15 C ATOM 633 OE1 GLN A 43 -7.635 1.544 8.193 1.00 41.34 O ATOM 634 NE2 GLN A 43 -9.119 2.750 9.298 1.00 4.31 N ATOM 0 H GLN A 43 -6.936 4.183 4.849 1.00 12.52 H new ATOM 0 HA GLN A 43 -6.173 6.066 6.918 1.00 32.34 H new ATOM 0 HB2 GLN A 43 -6.014 3.026 6.695 1.00 52.30 H new ATOM 0 HB3 GLN A 43 -5.703 3.939 8.158 1.00 52.30 H new ATOM 0 HG2 GLN A 43 -8.049 4.755 8.175 1.00 42.32 H new ATOM 0 HG3 GLN A 43 -8.372 3.908 6.675 1.00 42.32 H new ATOM 0 HE21 GLN A 43 -9.565 3.656 9.445 1.00 4.31 H new ATOM 0 HE22 GLN A 43 -9.400 1.946 9.860 1.00 4.31 H new ATOM 643 N ILE A 44 -3.851 4.729 5.035 1.00 70.03 N ATOM 644 CA ILE A 44 -2.439 4.922 4.615 1.00 74.22 C ATOM 645 C ILE A 44 -2.193 6.408 4.236 1.00 2.54 C ATOM 646 O ILE A 44 -1.145 6.963 4.567 1.00 1.01 O ATOM 647 CB ILE A 44 -2.054 3.968 3.412 1.00 32.33 C ATOM 648 CG1 ILE A 44 -2.155 2.466 3.848 1.00 30.12 C ATOM 649 CG2 ILE A 44 -0.640 4.283 2.839 1.00 61.32 C ATOM 650 CD1 ILE A 44 -1.990 1.454 2.720 1.00 43.14 C ATOM 0 H ILE A 44 -4.406 4.179 4.379 1.00 70.03 H new ATOM 0 HA ILE A 44 -1.798 4.660 5.457 1.00 74.22 H new ATOM 0 HB ILE A 44 -2.771 4.151 2.611 1.00 32.33 H new ATOM 0 HG12 ILE A 44 -1.395 2.271 4.604 1.00 30.12 H new ATOM 0 HG13 ILE A 44 -3.124 2.305 4.321 1.00 30.12 H new ATOM 0 HG21 ILE A 44 -0.421 3.603 2.016 1.00 61.32 H new ATOM 0 HG22 ILE A 44 -0.615 5.311 2.477 1.00 61.32 H new ATOM 0 HG23 ILE A 44 0.107 4.156 3.623 1.00 61.32 H new ATOM 0 HD11 ILE A 44 -2.076 0.444 3.122 1.00 43.14 H new ATOM 0 HD12 ILE A 44 -2.766 1.614 1.971 1.00 43.14 H new ATOM 0 HD13 ILE A 44 -1.010 1.579 2.259 1.00 43.14 H new ATOM 662 N GLU A 45 -3.205 7.041 3.583 1.00 61.42 N ATOM 663 CA GLU A 45 -3.179 8.476 3.176 1.00 11.11 C ATOM 664 C GLU A 45 -2.905 9.432 4.357 1.00 33.12 C ATOM 665 O GLU A 45 -2.371 10.517 4.164 1.00 31.10 O ATOM 666 CB GLU A 45 -4.494 8.895 2.444 1.00 2.01 C ATOM 667 CG GLU A 45 -4.716 8.257 1.056 1.00 24.45 C ATOM 668 CD GLU A 45 -3.663 8.670 0.011 1.00 64.34 C ATOM 669 OE1 GLU A 45 -2.528 8.156 0.064 1.00 23.31 O ATOM 670 OE2 GLU A 45 -3.963 9.519 -0.860 1.00 5.13 O ATOM 0 H GLU A 45 -4.069 6.567 3.321 1.00 61.42 H new ATOM 0 HA GLU A 45 -2.345 8.567 2.480 1.00 11.11 H new ATOM 0 HB2 GLU A 45 -5.341 8.640 3.081 1.00 2.01 H new ATOM 0 HB3 GLU A 45 -4.496 9.979 2.330 1.00 2.01 H new ATOM 0 HG2 GLU A 45 -4.707 7.172 1.159 1.00 24.45 H new ATOM 0 HG3 GLU A 45 -5.705 8.535 0.692 1.00 24.45 H new ATOM 677 N GLU A 46 -3.327 9.029 5.562 1.00 43.01 N ATOM 678 CA GLU A 46 -3.085 9.792 6.809 1.00 1.22 C ATOM 679 C GLU A 46 -1.571 9.825 7.175 1.00 33.14 C ATOM 680 O GLU A 46 -1.005 10.890 7.453 1.00 64.11 O ATOM 681 CB GLU A 46 -3.891 9.157 7.971 1.00 63.23 C ATOM 682 CG GLU A 46 -5.361 8.836 7.627 1.00 15.32 C ATOM 683 CD GLU A 46 -6.169 8.279 8.810 1.00 4.31 C ATOM 684 OE1 GLU A 46 -5.677 7.350 9.497 1.00 31.41 O ATOM 685 OE2 GLU A 46 -7.293 8.768 9.071 1.00 74.25 O ATOM 0 H GLU A 46 -3.848 8.164 5.708 1.00 43.01 H new ATOM 0 HA GLU A 46 -3.413 10.819 6.647 1.00 1.22 H new ATOM 0 HB2 GLU A 46 -3.394 8.238 8.282 1.00 63.23 H new ATOM 0 HB3 GLU A 46 -3.870 9.835 8.824 1.00 63.23 H new ATOM 0 HG2 GLU A 46 -5.845 9.742 7.263 1.00 15.32 H new ATOM 0 HG3 GLU A 46 -5.384 8.113 6.811 1.00 15.32 H new ATOM 692 N CYS A 47 -0.938 8.633 7.162 1.00 33.53 N ATOM 693 CA CYS A 47 0.481 8.447 7.574 1.00 44.54 C ATOM 694 C CYS A 47 1.487 8.933 6.497 1.00 64.22 C ATOM 695 O CYS A 47 2.481 9.599 6.817 1.00 23.33 O ATOM 696 CB CYS A 47 0.746 6.960 7.910 1.00 2.34 C ATOM 697 SG CYS A 47 2.432 6.611 8.468 1.00 52.51 S ATOM 0 H CYS A 47 -1.391 7.768 6.866 1.00 33.53 H new ATOM 0 HA CYS A 47 0.638 9.062 8.460 1.00 44.54 H new ATOM 0 HB2 CYS A 47 0.047 6.645 8.685 1.00 2.34 H new ATOM 0 HB3 CYS A 47 0.536 6.357 7.027 1.00 2.34 H new ATOM 0 HG CYS A 47 2.451 5.483 9.114 1.00 52.51 H new ATOM 703 N ILE A 48 1.217 8.592 5.218 1.00 24.10 N ATOM 704 CA ILE A 48 2.099 8.950 4.072 1.00 31.23 C ATOM 705 C ILE A 48 2.108 10.488 3.811 1.00 14.32 C ATOM 706 O ILE A 48 3.095 11.039 3.329 1.00 64.30 O ATOM 707 CB ILE A 48 1.682 8.160 2.759 1.00 61.14 C ATOM 708 CG1 ILE A 48 2.805 8.227 1.668 1.00 74.05 C ATOM 709 CG2 ILE A 48 0.332 8.670 2.185 1.00 20.22 C ATOM 710 CD1 ILE A 48 2.514 7.446 0.390 1.00 4.20 C ATOM 0 H ILE A 48 0.388 8.064 4.946 1.00 24.10 H new ATOM 0 HA ILE A 48 3.113 8.654 4.341 1.00 31.23 H new ATOM 0 HB ILE A 48 1.550 7.117 3.046 1.00 61.14 H new ATOM 0 HG12 ILE A 48 2.974 9.272 1.406 1.00 74.05 H new ATOM 0 HG13 ILE A 48 3.733 7.853 2.101 1.00 74.05 H new ATOM 0 HG21 ILE A 48 0.081 8.105 1.287 1.00 20.22 H new ATOM 0 HG22 ILE A 48 -0.453 8.536 2.929 1.00 20.22 H new ATOM 0 HG23 ILE A 48 0.419 9.727 1.935 1.00 20.22 H new ATOM 0 HD11 ILE A 48 3.350 7.555 -0.301 1.00 4.20 H new ATOM 0 HD12 ILE A 48 2.377 6.392 0.631 1.00 4.20 H new ATOM 0 HD13 ILE A 48 1.607 7.833 -0.074 1.00 4.20 H new ATOM 722 N PHE A 49 1.003 11.166 4.181 1.00 54.02 N ATOM 723 CA PHE A 49 0.837 12.635 4.030 1.00 4.25 C ATOM 724 C PHE A 49 1.818 13.438 4.935 1.00 24.53 C ATOM 725 O PHE A 49 2.125 14.604 4.655 1.00 21.54 O ATOM 726 CB PHE A 49 -0.636 13.012 4.339 1.00 42.42 C ATOM 727 CG PHE A 49 -1.035 14.447 3.994 1.00 73.03 C ATOM 728 CD1 PHE A 49 -1.029 14.879 2.665 1.00 33.23 C ATOM 729 CD2 PHE A 49 -1.420 15.355 4.981 1.00 54.00 C ATOM 730 CE1 PHE A 49 -1.396 16.169 2.338 1.00 25.55 C ATOM 731 CE2 PHE A 49 -1.788 16.643 4.651 1.00 31.33 C ATOM 732 CZ PHE A 49 -1.771 17.052 3.330 1.00 55.15 C ATOM 0 H PHE A 49 0.191 10.710 4.597 1.00 54.02 H new ATOM 0 HA PHE A 49 1.079 12.903 3.002 1.00 4.25 H new ATOM 0 HB2 PHE A 49 -1.289 12.331 3.793 1.00 42.42 H new ATOM 0 HB3 PHE A 49 -0.820 12.848 5.401 1.00 42.42 H new ATOM 0 HD1 PHE A 49 -0.733 14.195 1.884 1.00 33.23 H new ATOM 0 HD2 PHE A 49 -1.430 15.046 6.016 1.00 54.00 H new ATOM 0 HE1 PHE A 49 -1.390 16.487 1.306 1.00 25.55 H new ATOM 0 HE2 PHE A 49 -2.090 17.333 5.425 1.00 31.33 H new ATOM 0 HZ PHE A 49 -2.051 18.063 3.075 1.00 55.15 H new ATOM 742 N ARG A 50 2.279 12.807 6.031 1.00 30.03 N ATOM 743 CA ARG A 50 3.250 13.420 6.971 1.00 33.33 C ATOM 744 C ARG A 50 4.650 13.605 6.323 1.00 73.43 C ATOM 745 O ARG A 50 5.249 14.684 6.419 1.00 73.31 O ATOM 746 CB ARG A 50 3.348 12.566 8.270 1.00 65.14 C ATOM 747 CG ARG A 50 2.038 12.505 9.094 1.00 41.32 C ATOM 748 CD ARG A 50 1.571 13.902 9.557 1.00 42.32 C ATOM 749 NE ARG A 50 0.328 13.855 10.353 1.00 72.12 N ATOM 750 CZ ARG A 50 -0.600 14.793 10.376 1.00 64.34 C ATOM 751 NH1 ARG A 50 -0.538 15.818 9.585 1.00 30.31 N ATOM 752 NH2 ARG A 50 -1.599 14.686 11.187 1.00 52.23 N ATOM 0 H ARG A 50 1.994 11.863 6.293 1.00 30.03 H new ATOM 0 HA ARG A 50 2.884 14.415 7.227 1.00 33.33 H new ATOM 0 HB2 ARG A 50 3.642 11.551 8.002 1.00 65.14 H new ATOM 0 HB3 ARG A 50 4.140 12.972 8.899 1.00 65.14 H new ATOM 0 HG2 ARG A 50 1.255 12.043 8.493 1.00 41.32 H new ATOM 0 HG3 ARG A 50 2.189 11.868 9.965 1.00 41.32 H new ATOM 0 HD2 ARG A 50 2.359 14.366 10.150 1.00 42.32 H new ATOM 0 HD3 ARG A 50 1.414 14.536 8.684 1.00 42.32 H new ATOM 0 HE ARG A 50 0.174 13.030 10.933 1.00 72.12 H new ATOM 0 HH11 ARG A 50 0.238 15.910 8.930 1.00 30.31 H new ATOM 0 HH12 ARG A 50 -1.265 16.532 9.618 1.00 30.31 H new ATOM 0 HH21 ARG A 50 -1.669 13.879 11.807 1.00 52.23 H new ATOM 0 HH22 ARG A 50 -2.318 15.409 11.208 1.00 52.23 H new ATOM 766 N ASP A 51 5.162 12.543 5.673 1.00 72.21 N ATOM 767 CA ASP A 51 6.492 12.564 5.014 1.00 21.23 C ATOM 768 C ASP A 51 6.388 13.057 3.546 1.00 63.02 C ATOM 769 O ASP A 51 7.038 14.027 3.139 1.00 72.12 O ATOM 770 CB ASP A 51 7.098 11.128 5.059 1.00 11.03 C ATOM 771 CG ASP A 51 8.545 11.054 4.532 1.00 13.42 C ATOM 772 OD1 ASP A 51 9.487 11.254 5.328 1.00 11.35 O ATOM 773 OD2 ASP A 51 8.752 10.816 3.319 1.00 3.24 O ATOM 0 H ASP A 51 4.674 11.651 5.587 1.00 72.21 H new ATOM 0 HA ASP A 51 7.139 13.260 5.547 1.00 21.23 H new ATOM 0 HB2 ASP A 51 7.075 10.765 6.086 1.00 11.03 H new ATOM 0 HB3 ASP A 51 6.471 10.459 4.470 1.00 11.03 H new ATOM 778 N VAL A 52 5.539 12.372 2.774 1.00 63.10 N ATOM 779 CA VAL A 52 5.435 12.537 1.304 1.00 11.23 C ATOM 780 C VAL A 52 4.446 13.658 0.888 1.00 22.01 C ATOM 781 O VAL A 52 4.449 14.073 -0.273 1.00 51.21 O ATOM 782 CB VAL A 52 5.067 11.155 0.623 1.00 64.34 C ATOM 783 CG1 VAL A 52 5.044 11.226 -0.916 1.00 34.21 C ATOM 784 CG2 VAL A 52 6.051 10.064 1.060 1.00 14.23 C ATOM 0 H VAL A 52 4.893 11.677 3.148 1.00 63.10 H new ATOM 0 HA VAL A 52 6.413 12.857 0.945 1.00 11.23 H new ATOM 0 HB VAL A 52 4.058 10.912 0.956 1.00 64.34 H new ATOM 0 HG11 VAL A 52 4.786 10.248 -1.322 1.00 34.21 H new ATOM 0 HG12 VAL A 52 4.303 11.959 -1.235 1.00 34.21 H new ATOM 0 HG13 VAL A 52 6.027 11.522 -1.281 1.00 34.21 H new ATOM 0 HG21 VAL A 52 5.784 9.121 0.583 1.00 14.23 H new ATOM 0 HG22 VAL A 52 7.062 10.346 0.765 1.00 14.23 H new ATOM 0 HG23 VAL A 52 6.008 9.948 2.143 1.00 14.23 H new ATOM 794 N GLY A 53 3.653 14.187 1.854 1.00 61.00 N ATOM 795 CA GLY A 53 2.586 15.186 1.581 1.00 54.22 C ATOM 796 C GLY A 53 3.025 16.485 0.867 1.00 54.13 C ATOM 797 O GLY A 53 2.193 17.360 0.625 1.00 75.31 O ATOM 0 H GLY A 53 3.734 13.935 2.839 1.00 61.00 H new ATOM 0 HA2 GLY A 53 1.817 14.707 0.975 1.00 54.22 H new ATOM 0 HA3 GLY A 53 2.122 15.458 2.529 1.00 54.22 H new ATOM 801 N ASN A 54 4.336 16.625 0.595 1.00 13.13 N ATOM 802 CA ASN A 54 4.874 17.538 -0.440 1.00 13.21 C ATOM 803 C ASN A 54 4.177 17.267 -1.821 1.00 41.03 C ATOM 804 O ASN A 54 4.570 16.355 -2.569 1.00 21.43 O ATOM 805 CB ASN A 54 6.420 17.319 -0.515 1.00 64.24 C ATOM 806 CG ASN A 54 7.098 17.997 -1.712 1.00 14.30 C ATOM 807 OD1 ASN A 54 7.198 17.280 -2.815 1.00 44.12 O flip ATOM 808 ND2 ASN A 54 7.534 19.140 -1.643 1.00 23.51 N flip ATOM 0 H ASN A 54 5.061 16.105 1.090 1.00 13.13 H new ATOM 0 HA ASN A 54 4.670 18.578 -0.184 1.00 13.21 H new ATOM 0 HB2 ASN A 54 6.873 17.693 0.403 1.00 64.24 H new ATOM 0 HB3 ASN A 54 6.622 16.249 -0.557 1.00 64.24 H new ATOM 0 HD21 ASN A 54 7.442 19.670 -0.776 1.00 23.51 H new ATOM 0 HD22 ASN A 54 7.989 19.562 -2.452 1.00 23.51 H new ATOM 815 N THR A 55 3.139 18.064 -2.134 1.00 73.22 N ATOM 816 CA THR A 55 2.242 17.843 -3.306 1.00 60.21 C ATOM 817 C THR A 55 2.760 18.491 -4.618 1.00 55.34 C ATOM 818 O THR A 55 1.980 18.695 -5.556 1.00 63.44 O ATOM 819 CB THR A 55 0.805 18.394 -2.999 1.00 24.42 C ATOM 820 OG1 THR A 55 0.896 19.779 -2.619 1.00 30.35 O ATOM 821 CG2 THR A 55 0.096 17.600 -1.884 1.00 71.03 C ATOM 0 H THR A 55 2.889 18.886 -1.584 1.00 73.22 H new ATOM 0 HA THR A 55 2.220 16.765 -3.466 1.00 60.21 H new ATOM 0 HB THR A 55 0.211 18.284 -3.906 1.00 24.42 H new ATOM 0 HG1 THR A 55 -0.001 20.126 -2.428 1.00 30.35 H new ATOM 0 HG21 THR A 55 -0.894 18.022 -1.710 1.00 71.03 H new ATOM 0 HG22 THR A 55 -0.001 16.557 -2.186 1.00 71.03 H new ATOM 0 HG23 THR A 55 0.682 17.659 -0.967 1.00 71.03 H new ATOM 829 N ASP A 56 4.067 18.793 -4.696 1.00 41.23 N ATOM 830 CA ASP A 56 4.695 19.319 -5.926 1.00 5.32 C ATOM 831 C ASP A 56 4.800 18.208 -7.007 1.00 20.02 C ATOM 832 O ASP A 56 3.939 18.104 -7.892 1.00 21.42 O ATOM 833 CB ASP A 56 6.080 19.926 -5.589 1.00 62.22 C ATOM 834 CG ASP A 56 5.983 21.136 -4.651 1.00 1.04 C ATOM 835 OD1 ASP A 56 5.690 20.941 -3.455 1.00 30.53 O ATOM 836 OD2 ASP A 56 6.170 22.284 -5.110 1.00 74.21 O ATOM 0 H ASP A 56 4.716 18.682 -3.917 1.00 41.23 H new ATOM 0 HA ASP A 56 4.070 20.111 -6.339 1.00 5.32 H new ATOM 0 HB2 ASP A 56 6.704 19.162 -5.126 1.00 62.22 H new ATOM 0 HB3 ASP A 56 6.575 20.226 -6.512 1.00 62.22 H new ATOM 841 N MET A 57 5.840 17.356 -6.909 1.00 0.23 N ATOM 842 CA MET A 57 6.014 16.185 -7.803 1.00 42.23 C ATOM 843 C MET A 57 6.203 14.899 -6.981 1.00 31.24 C ATOM 844 O MET A 57 5.666 13.858 -7.338 1.00 12.15 O ATOM 845 CB MET A 57 7.233 16.377 -8.757 1.00 23.03 C ATOM 846 CG MET A 57 7.504 15.170 -9.680 1.00 53.44 C ATOM 847 SD MET A 57 9.024 15.324 -10.634 1.00 55.24 S ATOM 848 CE MET A 57 9.118 13.716 -11.430 1.00 50.31 C ATOM 0 H MET A 57 6.580 17.456 -6.214 1.00 0.23 H new ATOM 0 HA MET A 57 5.110 16.097 -8.406 1.00 42.23 H new ATOM 0 HB2 MET A 57 7.064 17.261 -9.372 1.00 23.03 H new ATOM 0 HB3 MET A 57 8.123 16.570 -8.158 1.00 23.03 H new ATOM 0 HG2 MET A 57 7.554 14.264 -9.076 1.00 53.44 H new ATOM 0 HG3 MET A 57 6.665 15.051 -10.365 1.00 53.44 H new ATOM 0 HE1 MET A 57 10.011 13.670 -12.053 1.00 50.31 H new ATOM 0 HE2 MET A 57 9.165 12.936 -10.670 1.00 50.31 H new ATOM 0 HE3 MET A 57 8.235 13.565 -12.051 1.00 50.31 H new ATOM 858 N LYS A 58 6.964 14.999 -5.871 1.00 50.53 N ATOM 859 CA LYS A 58 7.412 13.833 -5.071 1.00 54.12 C ATOM 860 C LYS A 58 6.233 12.955 -4.571 1.00 14.41 C ATOM 861 O LYS A 58 6.362 11.742 -4.534 1.00 13.43 O ATOM 862 CB LYS A 58 8.326 14.312 -3.897 1.00 74.13 C ATOM 863 CG LYS A 58 9.233 13.214 -3.253 1.00 44.10 C ATOM 864 CD LYS A 58 8.546 12.403 -2.124 1.00 72.33 C ATOM 865 CE LYS A 58 8.294 13.236 -0.856 1.00 44.43 C ATOM 866 NZ LYS A 58 9.549 13.530 -0.139 1.00 51.31 N ATOM 0 H LYS A 58 7.288 15.893 -5.501 1.00 50.53 H new ATOM 0 HA LYS A 58 7.997 13.187 -5.726 1.00 54.12 H new ATOM 0 HB2 LYS A 58 8.965 15.116 -4.263 1.00 74.13 H new ATOM 0 HB3 LYS A 58 7.693 14.737 -3.118 1.00 74.13 H new ATOM 0 HG2 LYS A 58 9.560 12.525 -4.032 1.00 44.10 H new ATOM 0 HG3 LYS A 58 10.128 13.688 -2.851 1.00 44.10 H new ATOM 0 HD2 LYS A 58 7.597 12.012 -2.490 1.00 72.33 H new ATOM 0 HD3 LYS A 58 9.168 11.544 -1.871 1.00 72.33 H new ATOM 0 HE2 LYS A 58 7.802 14.170 -1.126 1.00 44.43 H new ATOM 0 HE3 LYS A 58 7.615 12.697 -0.195 1.00 44.43 H new ATOM 0 HZ1 LYS A 58 9.334 14.034 0.745 1.00 51.31 H new ATOM 0 HZ2 LYS A 58 10.040 12.640 0.081 1.00 51.31 H new ATOM 0 HZ3 LYS A 58 10.159 14.124 -0.736 1.00 51.31 H new ATOM 880 N TYR A 59 5.087 13.568 -4.213 1.00 64.10 N ATOM 881 CA TYR A 59 3.877 12.812 -3.774 1.00 61.54 C ATOM 882 C TYR A 59 3.280 11.956 -4.925 1.00 70.41 C ATOM 883 O TYR A 59 2.785 10.863 -4.702 1.00 11.03 O ATOM 884 CB TYR A 59 2.836 13.795 -3.180 1.00 53.11 C ATOM 885 CG TYR A 59 1.608 13.159 -2.485 1.00 43.13 C ATOM 886 CD1 TYR A 59 1.728 12.575 -1.218 1.00 73.10 C ATOM 887 CD2 TYR A 59 0.335 13.177 -3.062 1.00 10.21 C ATOM 888 CE1 TYR A 59 0.648 12.018 -0.571 1.00 62.13 C ATOM 889 CE2 TYR A 59 -0.753 12.626 -2.408 1.00 24.42 C ATOM 890 CZ TYR A 59 -0.591 12.053 -1.160 1.00 51.51 C ATOM 891 OH TYR A 59 -1.669 11.518 -0.497 1.00 45.34 O ATOM 0 H TYR A 59 4.965 14.581 -4.216 1.00 64.10 H new ATOM 0 HA TYR A 59 4.170 12.108 -2.995 1.00 61.54 H new ATOM 0 HB2 TYR A 59 3.343 14.435 -2.458 1.00 53.11 H new ATOM 0 HB3 TYR A 59 2.478 14.440 -3.983 1.00 53.11 H new ATOM 0 HD1 TYR A 59 2.694 12.561 -0.735 1.00 73.10 H new ATOM 0 HD2 TYR A 59 0.198 13.628 -4.034 1.00 10.21 H new ATOM 0 HE1 TYR A 59 0.775 11.555 0.396 1.00 62.13 H new ATOM 0 HE2 TYR A 59 -1.728 12.644 -2.872 1.00 24.42 H new ATOM 0 HH TYR A 59 -1.942 10.685 -0.935 1.00 45.34 H new ATOM 901 N LYS A 60 3.363 12.481 -6.150 1.00 40.13 N ATOM 902 CA LYS A 60 2.897 11.801 -7.385 1.00 51.54 C ATOM 903 C LYS A 60 3.894 10.676 -7.797 1.00 0.32 C ATOM 904 O LYS A 60 3.502 9.554 -8.141 1.00 24.23 O ATOM 905 CB LYS A 60 2.741 12.838 -8.551 1.00 23.33 C ATOM 906 CG LYS A 60 1.661 13.954 -8.352 1.00 73.02 C ATOM 907 CD LYS A 60 1.951 14.917 -7.167 1.00 21.43 C ATOM 908 CE LYS A 60 0.928 16.054 -7.026 1.00 41.43 C ATOM 909 NZ LYS A 60 1.084 17.089 -8.077 1.00 61.35 N ATOM 0 H LYS A 60 3.760 13.404 -6.326 1.00 40.13 H new ATOM 0 HA LYS A 60 1.926 11.349 -7.185 1.00 51.54 H new ATOM 0 HB2 LYS A 60 3.705 13.321 -8.710 1.00 23.33 H new ATOM 0 HB3 LYS A 60 2.503 12.292 -9.464 1.00 23.33 H new ATOM 0 HG2 LYS A 60 1.584 14.538 -9.269 1.00 73.02 H new ATOM 0 HG3 LYS A 60 0.692 13.482 -8.193 1.00 73.02 H new ATOM 0 HD2 LYS A 60 1.971 14.342 -6.241 1.00 21.43 H new ATOM 0 HD3 LYS A 60 2.944 15.348 -7.296 1.00 21.43 H new ATOM 0 HE2 LYS A 60 -0.079 15.641 -7.074 1.00 41.43 H new ATOM 0 HE3 LYS A 60 1.036 16.517 -6.045 1.00 41.43 H new ATOM 0 HZ1 LYS A 60 0.394 17.851 -7.919 1.00 61.35 H new ATOM 0 HZ2 LYS A 60 2.047 17.480 -8.039 1.00 61.35 H new ATOM 0 HZ3 LYS A 60 0.921 16.662 -9.011 1.00 61.35 H new ATOM 923 N ASN A 61 5.200 11.015 -7.725 1.00 65.34 N ATOM 924 CA ASN A 61 6.317 10.170 -8.209 1.00 71.32 C ATOM 925 C ASN A 61 6.640 9.007 -7.232 1.00 44.00 C ATOM 926 O ASN A 61 7.086 7.933 -7.657 1.00 25.24 O ATOM 927 CB ASN A 61 7.564 11.066 -8.441 1.00 74.40 C ATOM 928 CG ASN A 61 8.725 10.345 -9.139 1.00 12.01 C ATOM 929 OD1 ASN A 61 8.784 10.291 -10.361 1.00 22.43 O ATOM 930 ND2 ASN A 61 9.658 9.801 -8.379 1.00 41.45 N ATOM 0 H ASN A 61 5.514 11.898 -7.322 1.00 65.34 H new ATOM 0 HA ASN A 61 6.017 9.706 -9.149 1.00 71.32 H new ATOM 0 HB2 ASN A 61 7.273 11.929 -9.039 1.00 74.40 H new ATOM 0 HB3 ASN A 61 7.910 11.446 -7.480 1.00 74.40 H new ATOM 0 HD21 ASN A 61 10.450 9.323 -8.808 1.00 41.45 H new ATOM 0 HD22 ASN A 61 9.586 9.859 -7.363 1.00 41.45 H new ATOM 937 N ARG A 62 6.417 9.233 -5.928 1.00 42.34 N ATOM 938 CA ARG A 62 6.679 8.220 -4.879 1.00 10.32 C ATOM 939 C ARG A 62 5.616 7.111 -4.905 1.00 32.31 C ATOM 940 O ARG A 62 5.936 5.923 -4.818 1.00 53.12 O ATOM 941 CB ARG A 62 6.718 8.882 -3.472 1.00 21.02 C ATOM 942 CG ARG A 62 7.169 7.969 -2.297 1.00 50.31 C ATOM 943 CD ARG A 62 8.693 7.683 -2.274 1.00 54.14 C ATOM 944 NE ARG A 62 9.173 6.908 -3.441 1.00 43.43 N ATOM 945 CZ ARG A 62 9.704 5.704 -3.403 1.00 62.21 C ATOM 946 NH1 ARG A 62 9.838 5.055 -2.287 1.00 73.41 N ATOM 947 NH2 ARG A 62 10.107 5.154 -4.498 1.00 11.20 N ATOM 0 H ARG A 62 6.053 10.115 -5.567 1.00 42.34 H new ATOM 0 HA ARG A 62 7.651 7.773 -5.086 1.00 10.32 H new ATOM 0 HB2 ARG A 62 7.388 9.741 -3.516 1.00 21.02 H new ATOM 0 HB3 ARG A 62 5.723 9.265 -3.246 1.00 21.02 H new ATOM 0 HG2 ARG A 62 6.883 8.437 -1.355 1.00 50.31 H new ATOM 0 HG3 ARG A 62 6.632 7.022 -2.358 1.00 50.31 H new ATOM 0 HD2 ARG A 62 9.230 8.630 -2.233 1.00 54.14 H new ATOM 0 HD3 ARG A 62 8.937 7.138 -1.362 1.00 54.14 H new ATOM 0 HE ARG A 62 9.084 7.347 -4.357 1.00 43.43 H new ATOM 0 HH11 ARG A 62 9.528 5.477 -1.411 1.00 73.41 H new ATOM 0 HH12 ARG A 62 10.253 4.123 -2.286 1.00 73.41 H new ATOM 0 HH21 ARG A 62 10.013 5.652 -5.383 1.00 11.20 H new ATOM 0 HH22 ARG A 62 10.520 4.221 -4.478 1.00 11.20 H new ATOM 961 N VAL A 63 4.351 7.535 -5.039 1.00 71.31 N ATOM 962 CA VAL A 63 3.184 6.638 -5.033 1.00 1.12 C ATOM 963 C VAL A 63 3.159 5.690 -6.251 1.00 20.34 C ATOM 964 O VAL A 63 2.902 4.509 -6.078 1.00 22.13 O ATOM 965 CB VAL A 63 1.852 7.465 -4.909 1.00 52.24 C ATOM 966 CG1 VAL A 63 0.583 6.590 -5.102 1.00 12.11 C ATOM 967 CG2 VAL A 63 1.823 8.188 -3.541 1.00 44.11 C ATOM 0 H VAL A 63 4.106 8.518 -5.156 1.00 71.31 H new ATOM 0 HA VAL A 63 3.270 5.998 -4.155 1.00 1.12 H new ATOM 0 HB VAL A 63 1.839 8.200 -5.714 1.00 52.24 H new ATOM 0 HG11 VAL A 63 -0.306 7.213 -5.006 1.00 12.11 H new ATOM 0 HG12 VAL A 63 0.602 6.135 -6.092 1.00 12.11 H new ATOM 0 HG13 VAL A 63 0.562 5.808 -4.343 1.00 12.11 H new ATOM 0 HG21 VAL A 63 0.901 8.762 -3.452 1.00 44.11 H new ATOM 0 HG22 VAL A 63 1.870 7.451 -2.739 1.00 44.11 H new ATOM 0 HG23 VAL A 63 2.678 8.861 -3.467 1.00 44.11 H new ATOM 977 N ARG A 64 3.460 6.194 -7.469 1.00 61.30 N ATOM 978 CA ARG A 64 3.527 5.333 -8.692 1.00 41.24 C ATOM 979 C ARG A 64 4.627 4.232 -8.567 1.00 71.30 C ATOM 980 O ARG A 64 4.468 3.117 -9.073 1.00 43.11 O ATOM 981 CB ARG A 64 3.754 6.195 -9.965 1.00 60.13 C ATOM 982 CG ARG A 64 5.102 6.947 -10.006 1.00 2.43 C ATOM 983 CD ARG A 64 5.249 7.885 -11.215 1.00 61.33 C ATOM 984 NE ARG A 64 4.224 8.944 -11.214 1.00 14.53 N ATOM 985 CZ ARG A 64 4.321 10.103 -11.821 1.00 52.15 C ATOM 986 NH1 ARG A 64 5.400 10.456 -12.447 1.00 14.40 N ATOM 987 NH2 ARG A 64 3.327 10.918 -11.779 1.00 71.55 N ATOM 0 H ARG A 64 3.660 7.179 -7.640 1.00 61.30 H new ATOM 0 HA ARG A 64 2.566 4.827 -8.785 1.00 41.24 H new ATOM 0 HB2 ARG A 64 3.688 5.549 -10.841 1.00 60.13 H new ATOM 0 HB3 ARG A 64 2.946 6.922 -10.043 1.00 60.13 H new ATOM 0 HG2 ARG A 64 5.212 7.528 -9.091 1.00 2.43 H new ATOM 0 HG3 ARG A 64 5.914 6.220 -10.021 1.00 2.43 H new ATOM 0 HD2 ARG A 64 6.240 8.338 -11.205 1.00 61.33 H new ATOM 0 HD3 ARG A 64 5.173 7.306 -12.135 1.00 61.33 H new ATOM 0 HE ARG A 64 3.365 8.760 -10.696 1.00 14.53 H new ATOM 0 HH11 ARG A 64 6.202 9.826 -12.476 1.00 14.40 H new ATOM 0 HH12 ARG A 64 5.447 11.364 -12.910 1.00 14.40 H new ATOM 0 HH21 ARG A 64 2.477 10.660 -11.278 1.00 71.55 H new ATOM 0 HH22 ARG A 64 3.389 11.822 -12.247 1.00 71.55 H new ATOM 1001 N SER A 65 5.730 4.569 -7.866 1.00 3.13 N ATOM 1002 CA SER A 65 6.822 3.616 -7.539 1.00 64.34 C ATOM 1003 C SER A 65 6.398 2.652 -6.399 1.00 53.25 C ATOM 1004 O SER A 65 6.839 1.505 -6.335 1.00 14.51 O ATOM 1005 CB SER A 65 8.096 4.398 -7.145 1.00 42.24 C ATOM 1006 OG SER A 65 9.199 3.534 -6.899 1.00 23.13 O ATOM 0 H SER A 65 5.893 5.510 -7.508 1.00 3.13 H new ATOM 0 HA SER A 65 7.033 3.012 -8.422 1.00 64.34 H new ATOM 0 HB2 SER A 65 8.353 5.096 -7.942 1.00 42.24 H new ATOM 0 HB3 SER A 65 7.895 4.992 -6.253 1.00 42.24 H new ATOM 0 HG SER A 65 10.018 4.065 -6.812 1.00 23.13 H new ATOM 1012 N ARG A 66 5.539 3.149 -5.490 1.00 30.44 N ATOM 1013 CA ARG A 66 4.975 2.357 -4.374 1.00 21.32 C ATOM 1014 C ARG A 66 4.013 1.251 -4.889 1.00 31.45 C ATOM 1015 O ARG A 66 3.972 0.147 -4.335 1.00 14.33 O ATOM 1016 CB ARG A 66 4.238 3.306 -3.384 1.00 21.21 C ATOM 1017 CG ARG A 66 3.630 2.610 -2.153 1.00 24.40 C ATOM 1018 CD ARG A 66 4.695 1.986 -1.232 1.00 50.44 C ATOM 1019 NE ARG A 66 4.078 1.119 -0.220 1.00 71.13 N ATOM 1020 CZ ARG A 66 4.407 1.065 1.048 1.00 30.53 C ATOM 1021 NH1 ARG A 66 5.275 1.881 1.566 1.00 51.21 N ATOM 1022 NH2 ARG A 66 3.857 0.181 1.794 1.00 35.31 N ATOM 0 H ARG A 66 5.213 4.115 -5.506 1.00 30.44 H new ATOM 0 HA ARG A 66 5.794 1.859 -3.856 1.00 21.32 H new ATOM 0 HB2 ARG A 66 4.939 4.068 -3.043 1.00 21.21 H new ATOM 0 HB3 ARG A 66 3.443 3.822 -3.922 1.00 21.21 H new ATOM 0 HG2 ARG A 66 3.044 3.333 -1.585 1.00 24.40 H new ATOM 0 HG3 ARG A 66 2.942 1.832 -2.484 1.00 24.40 H new ATOM 0 HD2 ARG A 66 5.402 1.408 -1.828 1.00 50.44 H new ATOM 0 HD3 ARG A 66 5.263 2.776 -0.741 1.00 50.44 H new ATOM 0 HE ARG A 66 3.326 0.504 -0.531 1.00 71.13 H new ATOM 0 HH11 ARG A 66 5.721 2.589 0.982 1.00 51.21 H new ATOM 0 HH12 ARG A 66 5.510 1.814 2.556 1.00 51.21 H new ATOM 0 HH21 ARG A 66 3.175 -0.467 1.399 1.00 35.31 H new ATOM 0 HH22 ARG A 66 4.101 0.125 2.783 1.00 35.31 H new ATOM 1036 N ILE A 67 3.242 1.583 -5.948 1.00 11.34 N ATOM 1037 CA ILE A 67 2.306 0.645 -6.627 1.00 12.13 C ATOM 1038 C ILE A 67 3.004 -0.670 -7.051 1.00 50.13 C ATOM 1039 O ILE A 67 2.479 -1.756 -6.799 1.00 22.21 O ATOM 1040 CB ILE A 67 1.621 1.303 -7.901 1.00 54.24 C ATOM 1041 CG1 ILE A 67 0.928 2.663 -7.550 1.00 50.43 C ATOM 1042 CG2 ILE A 67 0.615 0.337 -8.582 1.00 5.31 C ATOM 1043 CD1 ILE A 67 0.152 2.679 -6.247 1.00 34.14 C ATOM 0 H ILE A 67 3.248 2.515 -6.362 1.00 11.34 H new ATOM 0 HA ILE A 67 1.536 0.414 -5.891 1.00 12.13 H new ATOM 0 HB ILE A 67 2.421 1.507 -8.613 1.00 54.24 H new ATOM 0 HG12 ILE A 67 1.691 3.440 -7.509 1.00 50.43 H new ATOM 0 HG13 ILE A 67 0.249 2.926 -8.361 1.00 50.43 H new ATOM 0 HG21 ILE A 67 0.170 0.827 -9.448 1.00 5.31 H new ATOM 0 HG22 ILE A 67 1.137 -0.565 -8.903 1.00 5.31 H new ATOM 0 HG23 ILE A 67 -0.169 0.070 -7.874 1.00 5.31 H new ATOM 0 HD11 ILE A 67 -0.288 3.665 -6.098 1.00 34.14 H new ATOM 0 HD12 ILE A 67 -0.639 1.930 -6.286 1.00 34.14 H new ATOM 0 HD13 ILE A 67 0.825 2.453 -5.420 1.00 34.14 H new ATOM 1055 N SER A 68 4.206 -0.548 -7.664 1.00 15.41 N ATOM 1056 CA SER A 68 4.996 -1.712 -8.151 1.00 30.34 C ATOM 1057 C SER A 68 5.379 -2.679 -7.000 1.00 51.22 C ATOM 1058 O SER A 68 5.455 -3.889 -7.202 1.00 4.12 O ATOM 1059 CB SER A 68 6.272 -1.243 -8.897 1.00 51.34 C ATOM 1060 OG SER A 68 7.188 -0.600 -8.027 1.00 21.33 O ATOM 0 H SER A 68 4.655 0.352 -7.835 1.00 15.41 H new ATOM 0 HA SER A 68 4.358 -2.257 -8.847 1.00 30.34 H new ATOM 0 HB2 SER A 68 6.756 -2.101 -9.363 1.00 51.34 H new ATOM 0 HB3 SER A 68 5.993 -0.560 -9.699 1.00 51.34 H new ATOM 0 HG SER A 68 6.731 0.120 -7.545 1.00 21.33 H new ATOM 1066 N ASN A 69 5.602 -2.114 -5.797 1.00 54.53 N ATOM 1067 CA ASN A 69 5.894 -2.886 -4.557 1.00 64.43 C ATOM 1068 C ASN A 69 4.629 -3.603 -4.005 1.00 75.00 C ATOM 1069 O ASN A 69 4.716 -4.684 -3.413 1.00 53.42 O ATOM 1070 CB ASN A 69 6.478 -1.926 -3.487 1.00 61.20 C ATOM 1071 CG ASN A 69 7.796 -1.287 -3.928 1.00 52.20 C ATOM 1072 OD1 ASN A 69 8.616 -1.918 -4.582 1.00 21.23 O ATOM 1073 ND2 ASN A 69 8.006 -0.029 -3.598 1.00 21.25 N ATOM 0 H ASN A 69 5.586 -1.105 -5.650 1.00 54.53 H new ATOM 0 HA ASN A 69 6.620 -3.662 -4.800 1.00 64.43 H new ATOM 0 HB2 ASN A 69 5.752 -1.142 -3.273 1.00 61.20 H new ATOM 0 HB3 ASN A 69 6.637 -2.475 -2.559 1.00 61.20 H new ATOM 0 HD21 ASN A 69 8.865 0.438 -3.888 1.00 21.25 H new ATOM 0 HD22 ASN A 69 7.309 0.478 -3.052 1.00 21.25 H new ATOM 1080 N LEU A 70 3.457 -2.989 -4.224 1.00 73.13 N ATOM 1081 CA LEU A 70 2.155 -3.510 -3.730 1.00 11.35 C ATOM 1082 C LEU A 70 1.533 -4.548 -4.703 1.00 55.35 C ATOM 1083 O LEU A 70 0.525 -5.180 -4.383 1.00 12.44 O ATOM 1084 CB LEU A 70 1.185 -2.324 -3.505 1.00 14.11 C ATOM 1085 CG LEU A 70 1.590 -1.310 -2.384 1.00 61.41 C ATOM 1086 CD1 LEU A 70 0.686 -0.054 -2.405 1.00 35.01 C ATOM 1087 CD2 LEU A 70 1.572 -1.986 -0.994 1.00 44.12 C ATOM 0 H LEU A 70 3.375 -2.117 -4.747 1.00 73.13 H new ATOM 0 HA LEU A 70 2.330 -4.029 -2.788 1.00 11.35 H new ATOM 0 HB2 LEU A 70 1.087 -1.778 -4.443 1.00 14.11 H new ATOM 0 HB3 LEU A 70 0.201 -2.726 -3.265 1.00 14.11 H new ATOM 0 HG LEU A 70 2.610 -0.983 -2.586 1.00 61.41 H new ATOM 0 HD11 LEU A 70 0.994 0.629 -1.614 1.00 35.01 H new ATOM 0 HD12 LEU A 70 0.777 0.444 -3.370 1.00 35.01 H new ATOM 0 HD13 LEU A 70 -0.351 -0.349 -2.245 1.00 35.01 H new ATOM 0 HD21 LEU A 70 1.857 -1.260 -0.233 1.00 44.12 H new ATOM 0 HD22 LEU A 70 0.569 -2.358 -0.783 1.00 44.12 H new ATOM 0 HD23 LEU A 70 2.277 -2.817 -0.985 1.00 44.12 H new ATOM 1099 N LYS A 71 2.137 -4.686 -5.896 1.00 22.43 N ATOM 1100 CA LYS A 71 1.760 -5.706 -6.909 1.00 54.13 C ATOM 1101 C LYS A 71 2.974 -6.615 -7.254 1.00 42.31 C ATOM 1102 O LYS A 71 2.933 -7.374 -8.235 1.00 20.51 O ATOM 1103 CB LYS A 71 1.225 -4.979 -8.174 1.00 54.42 C ATOM 1104 CG LYS A 71 2.284 -4.141 -8.932 1.00 73.41 C ATOM 1105 CD LYS A 71 1.670 -3.131 -9.930 1.00 31.53 C ATOM 1106 CE LYS A 71 0.770 -3.790 -10.976 1.00 54.13 C ATOM 1107 NZ LYS A 71 0.246 -2.795 -11.949 1.00 30.03 N ATOM 0 H LYS A 71 2.909 -4.090 -6.194 1.00 22.43 H new ATOM 0 HA LYS A 71 0.979 -6.351 -6.508 1.00 54.13 H new ATOM 0 HB2 LYS A 71 0.812 -5.722 -8.857 1.00 54.42 H new ATOM 0 HB3 LYS A 71 0.404 -4.324 -7.881 1.00 54.42 H new ATOM 0 HG2 LYS A 71 2.894 -3.600 -8.209 1.00 73.41 H new ATOM 0 HG3 LYS A 71 2.951 -4.814 -9.471 1.00 73.41 H new ATOM 0 HD2 LYS A 71 1.092 -2.390 -9.378 1.00 31.53 H new ATOM 0 HD3 LYS A 71 2.473 -2.596 -10.436 1.00 31.53 H new ATOM 0 HE2 LYS A 71 1.331 -4.559 -11.507 1.00 54.13 H new ATOM 0 HE3 LYS A 71 -0.063 -4.288 -10.479 1.00 54.13 H new ATOM 0 HZ1 LYS A 71 -0.360 -3.275 -12.644 1.00 30.03 H new ATOM 0 HZ2 LYS A 71 -0.309 -2.075 -11.444 1.00 30.03 H new ATOM 0 HZ3 LYS A 71 1.041 -2.338 -12.440 1.00 30.03 H new ATOM 1121 N ASP A 72 4.030 -6.550 -6.408 1.00 43.21 N ATOM 1122 CA ASP A 72 5.352 -7.157 -6.692 1.00 75.01 C ATOM 1123 C ASP A 72 5.291 -8.707 -6.734 1.00 24.03 C ATOM 1124 O ASP A 72 4.884 -9.357 -5.764 1.00 14.40 O ATOM 1125 CB ASP A 72 6.387 -6.674 -5.645 1.00 25.23 C ATOM 1126 CG ASP A 72 7.832 -6.998 -6.050 1.00 13.43 C ATOM 1127 OD1 ASP A 72 8.420 -6.237 -6.849 1.00 12.25 O ATOM 1128 OD2 ASP A 72 8.378 -8.016 -5.596 1.00 31.04 O ATOM 0 H ASP A 72 3.988 -6.074 -5.507 1.00 43.21 H new ATOM 0 HA ASP A 72 5.663 -6.829 -7.684 1.00 75.01 H new ATOM 0 HB2 ASP A 72 6.285 -5.597 -5.508 1.00 25.23 H new ATOM 0 HB3 ASP A 72 6.170 -7.139 -4.684 1.00 25.23 H new ATOM 1133 N ALA A 73 5.729 -9.282 -7.870 1.00 62.11 N ATOM 1134 CA ALA A 73 5.656 -10.738 -8.139 1.00 54.44 C ATOM 1135 C ALA A 73 6.871 -11.528 -7.574 1.00 23.24 C ATOM 1136 O ALA A 73 6.948 -12.750 -7.750 1.00 33.21 O ATOM 1137 CB ALA A 73 5.516 -10.961 -9.652 1.00 74.24 C ATOM 0 H ALA A 73 6.146 -8.750 -8.634 1.00 62.11 H new ATOM 0 HA ALA A 73 4.781 -11.127 -7.618 1.00 54.44 H new ATOM 0 HB1 ALA A 73 5.462 -12.030 -9.859 1.00 74.24 H new ATOM 0 HB2 ALA A 73 4.608 -10.476 -10.009 1.00 74.24 H new ATOM 0 HB3 ALA A 73 6.379 -10.536 -10.164 1.00 74.24 H new ATOM 1143 N LYS A 74 7.815 -10.833 -6.901 1.00 64.12 N ATOM 1144 CA LYS A 74 9.000 -11.473 -6.263 1.00 33.04 C ATOM 1145 C LYS A 74 8.711 -11.712 -4.763 1.00 21.22 C ATOM 1146 O LYS A 74 8.873 -12.828 -4.258 1.00 43.13 O ATOM 1147 CB LYS A 74 10.291 -10.612 -6.428 1.00 62.51 C ATOM 1148 CG LYS A 74 10.794 -10.405 -7.881 1.00 61.34 C ATOM 1149 CD LYS A 74 9.882 -9.500 -8.749 1.00 53.45 C ATOM 1150 CE LYS A 74 10.445 -9.272 -10.164 1.00 33.24 C ATOM 1151 NZ LYS A 74 10.703 -10.543 -10.883 1.00 13.20 N ATOM 0 H LYS A 74 7.783 -9.820 -6.782 1.00 64.12 H new ATOM 0 HA LYS A 74 9.178 -12.424 -6.765 1.00 33.04 H new ATOM 0 HB2 LYS A 74 10.109 -9.633 -5.986 1.00 62.51 H new ATOM 0 HB3 LYS A 74 11.090 -11.078 -5.852 1.00 62.51 H new ATOM 0 HG2 LYS A 74 11.793 -9.970 -7.849 1.00 61.34 H new ATOM 0 HG3 LYS A 74 10.886 -11.378 -8.363 1.00 61.34 H new ATOM 0 HD2 LYS A 74 8.893 -9.953 -8.824 1.00 53.45 H new ATOM 0 HD3 LYS A 74 9.755 -8.537 -8.254 1.00 53.45 H new ATOM 0 HE2 LYS A 74 9.742 -8.669 -10.739 1.00 33.24 H new ATOM 0 HE3 LYS A 74 11.372 -8.702 -10.096 1.00 33.24 H new ATOM 0 HZ1 LYS A 74 10.967 -10.337 -11.868 1.00 13.20 H new ATOM 0 HZ2 LYS A 74 11.479 -11.055 -10.416 1.00 13.20 H new ATOM 0 HZ3 LYS A 74 9.844 -11.130 -10.870 1.00 13.20 H new ATOM 1165 N ASN A 75 8.274 -10.642 -4.068 1.00 14.04 N ATOM 1166 CA ASN A 75 7.773 -10.713 -2.676 1.00 52.03 C ATOM 1167 C ASN A 75 6.221 -10.746 -2.707 1.00 3.01 C ATOM 1168 O ASN A 75 5.579 -9.705 -2.922 1.00 72.43 O ATOM 1169 CB ASN A 75 8.276 -9.500 -1.834 1.00 43.12 C ATOM 1170 CG ASN A 75 7.910 -9.565 -0.331 1.00 50.45 C ATOM 1171 OD1 ASN A 75 6.943 -10.197 0.089 1.00 71.24 O ATOM 1172 ND2 ASN A 75 8.673 -8.882 0.495 1.00 71.03 N ATOM 0 H ASN A 75 8.258 -9.699 -4.457 1.00 14.04 H new ATOM 0 HA ASN A 75 8.154 -11.618 -2.203 1.00 52.03 H new ATOM 0 HB2 ASN A 75 9.360 -9.433 -1.928 1.00 43.12 H new ATOM 0 HB3 ASN A 75 7.862 -8.584 -2.256 1.00 43.12 H new ATOM 0 HD21 ASN A 75 8.464 -8.874 1.493 1.00 71.03 H new ATOM 0 HD22 ASN A 75 9.473 -8.361 0.137 1.00 71.03 H new ATOM 1179 N PRO A 76 5.590 -11.945 -2.526 1.00 41.10 N ATOM 1180 CA PRO A 76 4.117 -12.064 -2.506 1.00 75.50 C ATOM 1181 C PRO A 76 3.516 -11.641 -1.147 1.00 53.31 C ATOM 1182 O PRO A 76 2.390 -11.162 -1.097 1.00 41.11 O ATOM 1183 CB PRO A 76 3.904 -13.572 -2.777 1.00 70.41 C ATOM 1184 CG PRO A 76 5.089 -14.234 -2.132 1.00 41.30 C ATOM 1185 CD PRO A 76 6.251 -13.271 -2.319 1.00 22.23 C ATOM 0 HA PRO A 76 3.625 -11.414 -3.230 1.00 75.50 H new ATOM 0 HB2 PRO A 76 2.967 -13.925 -2.346 1.00 70.41 H new ATOM 0 HB3 PRO A 76 3.863 -13.783 -3.846 1.00 70.41 H new ATOM 0 HG2 PRO A 76 4.904 -14.424 -1.075 1.00 41.30 H new ATOM 0 HG3 PRO A 76 5.300 -15.197 -2.596 1.00 41.30 H new ATOM 0 HD2 PRO A 76 6.905 -13.260 -1.447 1.00 22.23 H new ATOM 0 HD3 PRO A 76 6.866 -13.549 -3.175 1.00 22.23 H new ATOM 1193 N ASP A 77 4.319 -11.769 -0.068 1.00 4.41 N ATOM 1194 CA ASP A 77 3.839 -11.724 1.325 1.00 31.45 C ATOM 1195 C ASP A 77 3.502 -10.287 1.793 1.00 54.32 C ATOM 1196 O ASP A 77 2.603 -10.098 2.621 1.00 51.22 O ATOM 1197 CB ASP A 77 4.888 -12.382 2.246 1.00 22.45 C ATOM 1198 CG ASP A 77 4.338 -12.733 3.636 1.00 20.45 C ATOM 1199 OD1 ASP A 77 3.561 -13.709 3.736 1.00 10.23 O ATOM 1200 OD2 ASP A 77 4.658 -12.037 4.623 1.00 44.13 O ATOM 0 H ASP A 77 5.327 -11.908 -0.143 1.00 4.41 H new ATOM 0 HA ASP A 77 2.905 -12.283 1.380 1.00 31.45 H new ATOM 0 HB2 ASP A 77 5.261 -13.289 1.771 1.00 22.45 H new ATOM 0 HB3 ASP A 77 5.737 -11.708 2.358 1.00 22.45 H new ATOM 1205 N LEU A 78 4.222 -9.288 1.240 1.00 54.22 N ATOM 1206 CA LEU A 78 3.994 -7.851 1.541 1.00 34.24 C ATOM 1207 C LEU A 78 2.516 -7.448 1.259 1.00 42.43 C ATOM 1208 O LEU A 78 1.812 -6.941 2.137 1.00 24.20 O ATOM 1209 CB LEU A 78 4.956 -6.981 0.678 1.00 22.35 C ATOM 1210 CG LEU A 78 4.931 -5.438 0.954 1.00 70.53 C ATOM 1211 CD1 LEU A 78 5.483 -5.107 2.363 1.00 63.13 C ATOM 1212 CD2 LEU A 78 5.685 -4.654 -0.147 1.00 25.04 C ATOM 0 H LEU A 78 4.977 -9.450 0.573 1.00 54.22 H new ATOM 0 HA LEU A 78 4.195 -7.682 2.599 1.00 34.24 H new ATOM 0 HB2 LEU A 78 5.974 -7.340 0.832 1.00 22.35 H new ATOM 0 HB3 LEU A 78 4.716 -7.145 -0.373 1.00 22.35 H new ATOM 0 HG LEU A 78 3.889 -5.118 0.927 1.00 70.53 H new ATOM 0 HD11 LEU A 78 5.452 -4.029 2.522 1.00 63.13 H new ATOM 0 HD12 LEU A 78 4.874 -5.603 3.118 1.00 63.13 H new ATOM 0 HD13 LEU A 78 6.513 -5.455 2.441 1.00 63.13 H new ATOM 0 HD21 LEU A 78 5.648 -3.588 0.076 1.00 25.04 H new ATOM 0 HD22 LEU A 78 6.724 -4.982 -0.180 1.00 25.04 H new ATOM 0 HD23 LEU A 78 5.215 -4.840 -1.113 1.00 25.04 H new ATOM 1224 N ARG A 79 2.075 -7.709 0.015 1.00 51.42 N ATOM 1225 CA ARG A 79 0.672 -7.499 -0.427 1.00 72.14 C ATOM 1226 C ARG A 79 -0.298 -8.595 0.104 1.00 42.11 C ATOM 1227 O ARG A 79 -1.468 -8.310 0.295 1.00 31.54 O ATOM 1228 CB ARG A 79 0.597 -7.403 -1.976 1.00 74.32 C ATOM 1229 CG ARG A 79 1.303 -8.547 -2.730 1.00 43.21 C ATOM 1230 CD ARG A 79 1.157 -8.446 -4.255 1.00 1.12 C ATOM 1231 NE ARG A 79 2.052 -9.388 -4.950 1.00 25.23 N ATOM 1232 CZ ARG A 79 1.676 -10.413 -5.681 1.00 52.23 C ATOM 1233 NH1 ARG A 79 0.433 -10.764 -5.763 1.00 64.12 N ATOM 1234 NH2 ARG A 79 2.571 -11.104 -6.299 1.00 43.41 N ATOM 0 H ARG A 79 2.680 -8.074 -0.721 1.00 51.42 H new ATOM 0 HA ARG A 79 0.343 -6.554 0.005 1.00 72.14 H new ATOM 0 HB2 ARG A 79 -0.451 -7.383 -2.274 1.00 74.32 H new ATOM 0 HB3 ARG A 79 1.036 -6.456 -2.289 1.00 74.32 H new ATOM 0 HG2 ARG A 79 2.362 -8.545 -2.472 1.00 43.21 H new ATOM 0 HG3 ARG A 79 0.895 -9.501 -2.395 1.00 43.21 H new ATOM 0 HD2 ARG A 79 0.124 -8.650 -4.536 1.00 1.12 H new ATOM 0 HD3 ARG A 79 1.379 -7.428 -4.576 1.00 1.12 H new ATOM 0 HE ARG A 79 3.055 -9.230 -4.855 1.00 25.23 H new ATOM 0 HH11 ARG A 79 -0.279 -10.241 -5.254 1.00 64.12 H new ATOM 0 HH12 ARG A 79 0.166 -11.564 -6.337 1.00 64.12 H new ATOM 0 HH21 ARG A 79 3.556 -10.853 -6.217 1.00 43.41 H new ATOM 0 HH22 ARG A 79 2.294 -11.902 -6.870 1.00 43.41 H new ATOM 1248 N ARG A 80 0.206 -9.835 0.319 1.00 3.30 N ATOM 1249 CA ARG A 80 -0.604 -11.001 0.814 1.00 75.14 C ATOM 1250 C ARG A 80 -1.256 -10.720 2.189 1.00 52.43 C ATOM 1251 O ARG A 80 -2.429 -11.035 2.420 1.00 54.20 O ATOM 1252 CB ARG A 80 0.299 -12.256 0.905 1.00 64.10 C ATOM 1253 CG ARG A 80 -0.331 -13.518 1.525 1.00 63.32 C ATOM 1254 CD ARG A 80 0.680 -14.675 1.655 1.00 14.50 C ATOM 1255 NE ARG A 80 0.106 -15.837 2.359 1.00 54.32 N ATOM 1256 CZ ARG A 80 0.576 -16.367 3.471 1.00 1.11 C ATOM 1257 NH1 ARG A 80 1.599 -15.857 4.087 1.00 65.12 N ATOM 1258 NH2 ARG A 80 0.002 -17.408 3.967 1.00 63.31 N ATOM 0 H ARG A 80 1.186 -10.066 0.157 1.00 3.30 H new ATOM 0 HA ARG A 80 -1.411 -11.170 0.102 1.00 75.14 H new ATOM 0 HB2 ARG A 80 0.639 -12.504 -0.100 1.00 64.10 H new ATOM 0 HB3 ARG A 80 1.184 -11.997 1.486 1.00 64.10 H new ATOM 0 HG2 ARG A 80 -0.730 -13.275 2.510 1.00 63.32 H new ATOM 0 HG3 ARG A 80 -1.172 -13.841 0.911 1.00 63.32 H new ATOM 0 HD2 ARG A 80 1.011 -14.980 0.662 1.00 14.50 H new ATOM 0 HD3 ARG A 80 1.562 -14.326 2.192 1.00 14.50 H new ATOM 0 HE ARG A 80 -0.724 -16.267 1.951 1.00 54.32 H new ATOM 0 HH11 ARG A 80 2.058 -15.027 3.712 1.00 65.12 H new ATOM 0 HH12 ARG A 80 1.943 -16.286 4.946 1.00 65.12 H new ATOM 0 HH21 ARG A 80 -0.808 -17.815 3.500 1.00 63.31 H new ATOM 0 HH22 ARG A 80 0.358 -17.826 4.827 1.00 63.31 H new ATOM 1272 N ASN A 81 -0.472 -10.124 3.092 1.00 43.24 N ATOM 1273 CA ASN A 81 -0.945 -9.732 4.433 1.00 44.43 C ATOM 1274 C ASN A 81 -1.923 -8.529 4.362 1.00 51.35 C ATOM 1275 O ASN A 81 -2.731 -8.334 5.257 1.00 62.31 O ATOM 1276 CB ASN A 81 0.257 -9.416 5.343 1.00 22.11 C ATOM 1277 CG ASN A 81 1.222 -10.594 5.509 1.00 54.02 C ATOM 1278 OD1 ASN A 81 0.826 -11.754 5.472 1.00 0.53 O ATOM 1279 ND2 ASN A 81 2.494 -10.302 5.689 1.00 24.41 N ATOM 0 H ASN A 81 0.508 -9.898 2.919 1.00 43.24 H new ATOM 0 HA ASN A 81 -1.497 -10.569 4.860 1.00 44.43 H new ATOM 0 HB2 ASN A 81 0.801 -8.566 4.931 1.00 22.11 H new ATOM 0 HB3 ASN A 81 -0.109 -9.115 6.325 1.00 22.11 H new ATOM 0 HD21 ASN A 81 3.178 -11.050 5.802 1.00 24.41 H new ATOM 0 HD22 ASN A 81 2.795 -9.328 5.715 1.00 24.41 H new ATOM 1286 N VAL A 82 -1.815 -7.711 3.299 1.00 5.45 N ATOM 1287 CA VAL A 82 -2.788 -6.618 3.016 1.00 62.30 C ATOM 1288 C VAL A 82 -4.083 -7.183 2.335 1.00 53.11 C ATOM 1289 O VAL A 82 -5.172 -6.603 2.461 1.00 71.32 O ATOM 1290 CB VAL A 82 -2.124 -5.489 2.129 1.00 33.32 C ATOM 1291 CG1 VAL A 82 -3.075 -4.296 1.896 1.00 14.12 C ATOM 1292 CG2 VAL A 82 -0.781 -5.009 2.743 1.00 53.34 C ATOM 0 H VAL A 82 -1.063 -7.780 2.614 1.00 5.45 H new ATOM 0 HA VAL A 82 -3.079 -6.170 3.966 1.00 62.30 H new ATOM 0 HB VAL A 82 -1.917 -5.934 1.156 1.00 33.32 H new ATOM 0 HG11 VAL A 82 -2.575 -3.547 1.282 1.00 14.12 H new ATOM 0 HG12 VAL A 82 -3.974 -4.642 1.386 1.00 14.12 H new ATOM 0 HG13 VAL A 82 -3.348 -3.856 2.855 1.00 14.12 H new ATOM 0 HG21 VAL A 82 -0.349 -4.233 2.111 1.00 53.34 H new ATOM 0 HG22 VAL A 82 -0.960 -4.607 3.740 1.00 53.34 H new ATOM 0 HG23 VAL A 82 -0.090 -5.850 2.809 1.00 53.34 H new ATOM 1302 N LEU A 83 -3.945 -8.332 1.625 1.00 51.12 N ATOM 1303 CA LEU A 83 -5.087 -9.091 1.033 1.00 70.55 C ATOM 1304 C LEU A 83 -6.017 -9.669 2.130 1.00 14.12 C ATOM 1305 O LEU A 83 -7.213 -9.835 1.902 1.00 13.35 O ATOM 1306 CB LEU A 83 -4.575 -10.250 0.111 1.00 44.41 C ATOM 1307 CG LEU A 83 -3.890 -9.829 -1.231 1.00 22.14 C ATOM 1308 CD1 LEU A 83 -3.234 -11.034 -1.952 1.00 71.35 C ATOM 1309 CD2 LEU A 83 -4.896 -9.129 -2.159 1.00 11.42 C ATOM 0 H LEU A 83 -3.038 -8.763 1.444 1.00 51.12 H new ATOM 0 HA LEU A 83 -5.660 -8.386 0.431 1.00 70.55 H new ATOM 0 HB2 LEU A 83 -3.866 -10.851 0.681 1.00 44.41 H new ATOM 0 HB3 LEU A 83 -5.421 -10.895 -0.126 1.00 44.41 H new ATOM 0 HG LEU A 83 -3.095 -9.127 -0.980 1.00 22.14 H new ATOM 0 HD11 LEU A 83 -2.771 -10.695 -2.879 1.00 71.35 H new ATOM 0 HD12 LEU A 83 -2.474 -11.475 -1.306 1.00 71.35 H new ATOM 0 HD13 LEU A 83 -3.995 -11.781 -2.179 1.00 71.35 H new ATOM 0 HD21 LEU A 83 -4.399 -8.845 -3.086 1.00 11.42 H new ATOM 0 HD22 LEU A 83 -5.719 -9.808 -2.382 1.00 11.42 H new ATOM 0 HD23 LEU A 83 -5.285 -8.237 -1.668 1.00 11.42 H new ATOM 1321 N CYS A 84 -5.447 -9.996 3.306 1.00 72.03 N ATOM 1322 CA CYS A 84 -6.222 -10.487 4.477 1.00 54.41 C ATOM 1323 C CYS A 84 -6.426 -9.379 5.546 1.00 33.31 C ATOM 1324 O CYS A 84 -7.291 -9.508 6.421 1.00 3.04 O ATOM 1325 CB CYS A 84 -5.499 -11.698 5.106 1.00 12.01 C ATOM 1326 SG CYS A 84 -3.820 -11.342 5.674 1.00 45.32 S ATOM 0 H CYS A 84 -4.444 -9.930 3.477 1.00 72.03 H new ATOM 0 HA CYS A 84 -7.209 -10.785 4.122 1.00 54.41 H new ATOM 0 HB2 CYS A 84 -6.087 -12.061 5.949 1.00 12.01 H new ATOM 0 HB3 CYS A 84 -5.460 -12.505 4.374 1.00 12.01 H new ATOM 0 HG CYS A 84 -3.573 -10.074 5.531 1.00 45.32 H new ATOM 1332 N GLY A 85 -5.627 -8.292 5.460 1.00 4.32 N ATOM 1333 CA GLY A 85 -5.709 -7.161 6.411 1.00 55.05 C ATOM 1334 C GLY A 85 -5.004 -7.420 7.760 1.00 52.24 C ATOM 1335 O GLY A 85 -5.388 -6.854 8.788 1.00 24.31 O ATOM 0 H GLY A 85 -4.915 -8.174 4.739 1.00 4.32 H new ATOM 0 HA2 GLY A 85 -5.270 -6.278 5.947 1.00 55.05 H new ATOM 0 HA3 GLY A 85 -6.758 -6.934 6.599 1.00 55.05 H new ATOM 1339 N ALA A 86 -3.972 -8.288 7.741 1.00 22.33 N ATOM 1340 CA ALA A 86 -3.159 -8.656 8.931 1.00 52.34 C ATOM 1341 C ALA A 86 -2.060 -7.604 9.289 1.00 2.22 C ATOM 1342 O ALA A 86 -1.405 -7.729 10.330 1.00 53.23 O ATOM 1343 CB ALA A 86 -2.523 -10.039 8.701 1.00 64.04 C ATOM 0 H ALA A 86 -3.671 -8.763 6.890 1.00 22.33 H new ATOM 0 HA ALA A 86 -3.835 -8.682 9.786 1.00 52.34 H new ATOM 0 HB1 ALA A 86 -1.926 -10.314 9.570 1.00 64.04 H new ATOM 0 HB2 ALA A 86 -3.308 -10.780 8.551 1.00 64.04 H new ATOM 0 HB3 ALA A 86 -1.884 -10.004 7.818 1.00 64.04 H new ATOM 1349 N ILE A 87 -1.834 -6.600 8.412 1.00 34.42 N ATOM 1350 CA ILE A 87 -0.905 -5.461 8.690 1.00 12.13 C ATOM 1351 C ILE A 87 -1.707 -4.158 8.947 1.00 61.50 C ATOM 1352 O ILE A 87 -2.659 -3.859 8.216 1.00 34.03 O ATOM 1353 CB ILE A 87 0.119 -5.231 7.498 1.00 10.51 C ATOM 1354 CG1 ILE A 87 1.037 -6.483 7.301 1.00 53.42 C ATOM 1355 CG2 ILE A 87 0.985 -3.961 7.719 1.00 53.43 C ATOM 1356 CD1 ILE A 87 2.072 -6.361 6.183 1.00 3.24 C ATOM 0 H ILE A 87 -2.282 -6.548 7.497 1.00 34.42 H new ATOM 0 HA ILE A 87 -0.334 -5.719 9.582 1.00 12.13 H new ATOM 0 HB ILE A 87 -0.470 -5.081 6.593 1.00 10.51 H new ATOM 0 HG12 ILE A 87 1.559 -6.682 8.237 1.00 53.42 H new ATOM 0 HG13 ILE A 87 0.406 -7.348 7.097 1.00 53.42 H new ATOM 0 HG21 ILE A 87 1.672 -3.839 6.882 1.00 53.43 H new ATOM 0 HG22 ILE A 87 0.338 -3.087 7.787 1.00 53.43 H new ATOM 0 HG23 ILE A 87 1.554 -4.065 8.643 1.00 53.43 H new ATOM 0 HD11 ILE A 87 2.657 -7.279 6.127 1.00 3.24 H new ATOM 0 HD12 ILE A 87 1.564 -6.197 5.233 1.00 3.24 H new ATOM 0 HD13 ILE A 87 2.734 -5.520 6.390 1.00 3.24 H new ATOM 1368 N THR A 88 -1.305 -3.389 9.988 1.00 53.13 N ATOM 1369 CA THR A 88 -1.917 -2.076 10.311 1.00 44.14 C ATOM 1370 C THR A 88 -1.515 -1.009 9.253 1.00 52.25 C ATOM 1371 O THR A 88 -0.376 -1.025 8.762 1.00 25.22 O ATOM 1372 CB THR A 88 -1.512 -1.567 11.746 1.00 42.12 C ATOM 1373 OG1 THR A 88 -0.111 -1.248 11.800 1.00 11.23 O ATOM 1374 CG2 THR A 88 -1.836 -2.610 12.835 1.00 32.22 C ATOM 0 H THR A 88 -0.554 -3.658 10.623 1.00 53.13 H new ATOM 0 HA THR A 88 -2.997 -2.221 10.296 1.00 44.14 H new ATOM 0 HB THR A 88 -2.098 -0.669 11.939 1.00 42.12 H new ATOM 0 HG1 THR A 88 0.118 -0.933 12.699 1.00 11.23 H new ATOM 0 HG21 THR A 88 -1.542 -2.221 13.810 1.00 32.22 H new ATOM 0 HG22 THR A 88 -2.906 -2.816 12.834 1.00 32.22 H new ATOM 0 HG23 THR A 88 -1.289 -3.531 12.631 1.00 32.22 H new ATOM 1382 N PRO A 89 -2.447 -0.068 8.875 1.00 60.30 N ATOM 1383 CA PRO A 89 -2.190 0.972 7.829 1.00 40.14 C ATOM 1384 C PRO A 89 -0.971 1.888 8.113 1.00 73.31 C ATOM 1385 O PRO A 89 -0.391 2.459 7.181 1.00 3.13 O ATOM 1386 CB PRO A 89 -3.505 1.785 7.800 1.00 5.03 C ATOM 1387 CG PRO A 89 -4.539 0.833 8.319 1.00 34.34 C ATOM 1388 CD PRO A 89 -3.840 0.040 9.395 1.00 71.13 C ATOM 0 HA PRO A 89 -1.930 0.507 6.878 1.00 40.14 H new ATOM 0 HB2 PRO A 89 -3.436 2.676 8.424 1.00 5.03 H new ATOM 0 HB3 PRO A 89 -3.744 2.120 6.791 1.00 5.03 H new ATOM 0 HG2 PRO A 89 -5.400 1.367 8.720 1.00 34.34 H new ATOM 0 HG3 PRO A 89 -4.908 0.182 7.527 1.00 34.34 H new ATOM 0 HD2 PRO A 89 -3.874 0.549 10.358 1.00 71.13 H new ATOM 0 HD3 PRO A 89 -4.296 -0.940 9.536 1.00 71.13 H new ATOM 1396 N GLN A 90 -0.602 2.037 9.399 1.00 71.11 N ATOM 1397 CA GLN A 90 0.627 2.756 9.784 1.00 44.20 C ATOM 1398 C GLN A 90 1.884 1.907 9.466 1.00 23.41 C ATOM 1399 O GLN A 90 2.825 2.410 8.855 1.00 14.41 O ATOM 1400 CB GLN A 90 0.614 3.127 11.292 1.00 5.30 C ATOM 1401 CG GLN A 90 1.843 3.957 11.736 1.00 72.12 C ATOM 1402 CD GLN A 90 1.896 4.232 13.241 1.00 74.01 C ATOM 1403 OE1 GLN A 90 1.362 5.222 13.726 1.00 1.53 O ATOM 1404 NE2 GLN A 90 2.555 3.366 13.988 1.00 41.32 N ATOM 0 H GLN A 90 -1.136 1.670 10.187 1.00 71.11 H new ATOM 0 HA GLN A 90 0.662 3.676 9.201 1.00 44.20 H new ATOM 0 HB2 GLN A 90 -0.293 3.690 11.511 1.00 5.30 H new ATOM 0 HB3 GLN A 90 0.571 2.212 11.883 1.00 5.30 H new ATOM 0 HG2 GLN A 90 2.750 3.430 11.441 1.00 72.12 H new ATOM 0 HG3 GLN A 90 1.839 4.908 11.203 1.00 72.12 H new ATOM 0 HE21 GLN A 90 2.990 2.550 13.559 1.00 41.32 H new ATOM 0 HE22 GLN A 90 2.629 3.513 14.995 1.00 41.32 H new ATOM 1413 N GLN A 91 1.854 0.605 9.852 1.00 23.04 N ATOM 1414 CA GLN A 91 3.012 -0.328 9.721 1.00 73.44 C ATOM 1415 C GLN A 91 3.474 -0.443 8.250 1.00 41.21 C ATOM 1416 O GLN A 91 4.662 -0.335 7.959 1.00 11.22 O ATOM 1417 CB GLN A 91 2.660 -1.750 10.308 1.00 42.42 C ATOM 1418 CG GLN A 91 3.612 -2.282 11.425 1.00 71.21 C ATOM 1419 CD GLN A 91 4.873 -3.042 10.949 1.00 72.34 C ATOM 1420 OE1 GLN A 91 5.362 -3.920 11.646 1.00 30.52 O ATOM 1421 NE2 GLN A 91 5.434 -2.713 9.803 1.00 53.40 N ATOM 0 H GLN A 91 1.028 0.169 10.263 1.00 23.04 H new ATOM 0 HA GLN A 91 3.837 0.085 10.301 1.00 73.44 H new ATOM 0 HB2 GLN A 91 1.646 -1.716 10.707 1.00 42.42 H new ATOM 0 HB3 GLN A 91 2.656 -2.469 9.489 1.00 42.42 H new ATOM 0 HG2 GLN A 91 3.932 -1.436 12.033 1.00 71.21 H new ATOM 0 HG3 GLN A 91 3.040 -2.943 12.076 1.00 71.21 H new ATOM 0 HE21 GLN A 91 5.022 -1.980 9.225 1.00 53.40 H new ATOM 0 HE22 GLN A 91 6.280 -3.191 9.493 1.00 53.40 H new ATOM 1430 N ILE A 92 2.511 -0.650 7.341 1.00 61.23 N ATOM 1431 CA ILE A 92 2.785 -0.759 5.892 1.00 43.51 C ATOM 1432 C ILE A 92 3.370 0.576 5.324 1.00 75.13 C ATOM 1433 O ILE A 92 4.316 0.559 4.530 1.00 63.22 O ATOM 1434 CB ILE A 92 1.484 -1.223 5.112 1.00 40.32 C ATOM 1435 CG1 ILE A 92 1.767 -1.521 3.600 1.00 11.33 C ATOM 1436 CG2 ILE A 92 0.324 -0.220 5.273 1.00 75.13 C ATOM 1437 CD1 ILE A 92 2.745 -2.662 3.348 1.00 50.42 C ATOM 0 H ILE A 92 1.525 -0.747 7.582 1.00 61.23 H new ATOM 0 HA ILE A 92 3.546 -1.524 5.741 1.00 43.51 H new ATOM 0 HB ILE A 92 1.174 -2.161 5.572 1.00 40.32 H new ATOM 0 HG12 ILE A 92 0.823 -1.754 3.107 1.00 11.33 H new ATOM 0 HG13 ILE A 92 2.156 -0.617 3.132 1.00 11.33 H new ATOM 0 HG21 ILE A 92 -0.546 -0.578 4.722 1.00 75.13 H new ATOM 0 HG22 ILE A 92 0.071 -0.123 6.329 1.00 75.13 H new ATOM 0 HG23 ILE A 92 0.626 0.752 4.882 1.00 75.13 H new ATOM 0 HD11 ILE A 92 2.879 -2.796 2.275 1.00 50.42 H new ATOM 0 HD12 ILE A 92 3.705 -2.426 3.807 1.00 50.42 H new ATOM 0 HD13 ILE A 92 2.351 -3.581 3.782 1.00 50.42 H new ATOM 1449 N ALA A 93 2.848 1.725 5.812 1.00 33.44 N ATOM 1450 CA ALA A 93 3.231 3.073 5.323 1.00 43.23 C ATOM 1451 C ALA A 93 4.616 3.547 5.849 1.00 53.42 C ATOM 1452 O ALA A 93 5.313 4.293 5.160 1.00 63.13 O ATOM 1453 CB ALA A 93 2.140 4.094 5.691 1.00 2.12 C ATOM 0 H ALA A 93 2.150 1.745 6.555 1.00 33.44 H new ATOM 0 HA ALA A 93 3.323 3.001 4.239 1.00 43.23 H new ATOM 0 HB1 ALA A 93 2.428 5.081 5.329 1.00 2.12 H new ATOM 0 HB2 ALA A 93 1.197 3.800 5.231 1.00 2.12 H new ATOM 0 HB3 ALA A 93 2.021 4.125 6.774 1.00 2.12 H new ATOM 1459 N VAL A 94 5.008 3.123 7.072 1.00 74.43 N ATOM 1460 CA VAL A 94 6.292 3.545 7.699 1.00 62.24 C ATOM 1461 C VAL A 94 7.500 2.706 7.196 1.00 21.41 C ATOM 1462 O VAL A 94 8.654 3.134 7.329 1.00 30.13 O ATOM 1463 CB VAL A 94 6.230 3.505 9.278 1.00 23.13 C ATOM 1464 CG1 VAL A 94 5.135 4.455 9.827 1.00 0.31 C ATOM 1465 CG2 VAL A 94 6.050 2.059 9.817 1.00 5.54 C ATOM 0 H VAL A 94 4.456 2.488 7.649 1.00 74.43 H new ATOM 0 HA VAL A 94 6.443 4.579 7.389 1.00 62.24 H new ATOM 0 HB VAL A 94 7.192 3.864 9.644 1.00 23.13 H new ATOM 0 HG11 VAL A 94 5.120 4.402 10.916 1.00 0.31 H new ATOM 0 HG12 VAL A 94 5.351 5.477 9.516 1.00 0.31 H new ATOM 0 HG13 VAL A 94 4.163 4.154 9.436 1.00 0.31 H new ATOM 0 HG21 VAL A 94 6.013 2.079 10.906 1.00 5.54 H new ATOM 0 HG22 VAL A 94 5.122 1.639 9.429 1.00 5.54 H new ATOM 0 HG23 VAL A 94 6.889 1.443 9.494 1.00 5.54 H new ATOM 1475 N MET A 95 7.231 1.510 6.628 1.00 13.52 N ATOM 1476 CA MET A 95 8.300 0.624 6.100 1.00 55.40 C ATOM 1477 C MET A 95 8.849 1.137 4.742 1.00 11.20 C ATOM 1478 O MET A 95 8.088 1.336 3.789 1.00 12.13 O ATOM 1479 CB MET A 95 7.792 -0.838 5.961 1.00 64.25 C ATOM 1480 CG MET A 95 7.542 -1.551 7.298 1.00 24.45 C ATOM 1481 SD MET A 95 7.184 -3.317 7.107 1.00 40.02 S ATOM 1482 CE MET A 95 5.723 -3.309 6.064 1.00 50.14 C ATOM 0 H MET A 95 6.289 1.134 6.522 1.00 13.52 H new ATOM 0 HA MET A 95 9.119 0.640 6.820 1.00 55.40 H new ATOM 0 HB2 MET A 95 6.866 -0.835 5.386 1.00 64.25 H new ATOM 0 HB3 MET A 95 8.521 -1.411 5.388 1.00 64.25 H new ATOM 0 HG2 MET A 95 8.418 -1.431 7.936 1.00 24.45 H new ATOM 0 HG3 MET A 95 6.707 -1.070 7.808 1.00 24.45 H new ATOM 0 HE1 MET A 95 5.468 -4.332 5.787 1.00 50.14 H new ATOM 0 HE2 MET A 95 4.891 -2.862 6.607 1.00 50.14 H new ATOM 0 HE3 MET A 95 5.922 -2.728 5.163 1.00 50.14 H new ATOM 1492 N THR A 96 10.181 1.317 4.672 1.00 52.31 N ATOM 1493 CA THR A 96 10.896 1.816 3.464 1.00 42.22 C ATOM 1494 C THR A 96 11.172 0.675 2.454 1.00 74.25 C ATOM 1495 O THR A 96 10.826 -0.472 2.722 1.00 24.15 O ATOM 1496 CB THR A 96 12.256 2.475 3.865 1.00 61.34 C ATOM 1497 OG1 THR A 96 13.146 1.471 4.398 1.00 61.31 O ATOM 1498 CG2 THR A 96 12.069 3.604 4.901 1.00 0.20 C ATOM 0 H THR A 96 10.804 1.121 5.455 1.00 52.31 H new ATOM 0 HA THR A 96 10.250 2.556 2.992 1.00 42.22 H new ATOM 0 HB THR A 96 12.685 2.917 2.966 1.00 61.34 H new ATOM 0 HG1 THR A 96 13.998 1.887 4.646 1.00 61.31 H new ATOM 0 HG21 THR A 96 13.039 4.033 5.151 1.00 0.20 H new ATOM 0 HG22 THR A 96 11.426 4.379 4.483 1.00 0.20 H new ATOM 0 HG23 THR A 96 11.609 3.198 5.802 1.00 0.20 H new ATOM 1506 N SER A 97 11.808 1.004 1.299 1.00 50.33 N ATOM 1507 CA SER A 97 12.204 0.000 0.256 1.00 41.12 C ATOM 1508 C SER A 97 13.033 -1.176 0.844 1.00 63.34 C ATOM 1509 O SER A 97 12.919 -2.317 0.388 1.00 53.33 O ATOM 1510 CB SER A 97 13.007 0.688 -0.870 1.00 43.43 C ATOM 1511 OG SER A 97 14.194 1.294 -0.373 1.00 22.12 O ATOM 0 H SER A 97 12.062 1.962 1.059 1.00 50.33 H new ATOM 0 HA SER A 97 11.281 -0.418 -0.146 1.00 41.12 H new ATOM 0 HB2 SER A 97 13.265 -0.046 -1.634 1.00 43.43 H new ATOM 0 HB3 SER A 97 12.386 1.444 -1.351 1.00 43.43 H new ATOM 0 HG SER A 97 14.679 1.718 -1.112 1.00 22.12 H new ATOM 1517 N GLU A 98 13.856 -0.854 1.857 1.00 72.20 N ATOM 1518 CA GLU A 98 14.613 -1.836 2.672 1.00 61.34 C ATOM 1519 C GLU A 98 13.680 -2.896 3.325 1.00 52.04 C ATOM 1520 O GLU A 98 13.860 -4.106 3.147 1.00 64.14 O ATOM 1521 CB GLU A 98 15.388 -1.054 3.772 1.00 51.24 C ATOM 1522 CG GLU A 98 16.093 -1.918 4.838 1.00 21.25 C ATOM 1523 CD GLU A 98 16.737 -1.110 5.980 1.00 22.41 C ATOM 1524 OE1 GLU A 98 16.126 -0.121 6.452 1.00 14.05 O ATOM 1525 OE2 GLU A 98 17.848 -1.469 6.428 1.00 32.43 O ATOM 0 H GLU A 98 14.021 0.111 2.142 1.00 72.20 H new ATOM 0 HA GLU A 98 15.301 -2.379 2.023 1.00 61.34 H new ATOM 0 HB2 GLU A 98 16.136 -0.427 3.287 1.00 51.24 H new ATOM 0 HB3 GLU A 98 14.690 -0.386 4.276 1.00 51.24 H new ATOM 0 HG2 GLU A 98 15.369 -2.613 5.263 1.00 21.25 H new ATOM 0 HG3 GLU A 98 16.863 -2.517 4.353 1.00 21.25 H new ATOM 1532 N GLU A 99 12.672 -2.406 4.061 1.00 25.53 N ATOM 1533 CA GLU A 99 11.751 -3.255 4.849 1.00 72.10 C ATOM 1534 C GLU A 99 10.665 -3.939 3.976 1.00 60.24 C ATOM 1535 O GLU A 99 10.197 -5.031 4.312 1.00 63.41 O ATOM 1536 CB GLU A 99 11.102 -2.401 5.961 1.00 25.02 C ATOM 1537 CG GLU A 99 12.095 -1.759 6.953 1.00 61.41 C ATOM 1538 CD GLU A 99 12.902 -2.792 7.765 1.00 71.01 C ATOM 1539 OE1 GLU A 99 12.359 -3.339 8.751 1.00 5.33 O ATOM 1540 OE2 GLU A 99 14.073 -3.064 7.422 1.00 23.23 O ATOM 0 H GLU A 99 12.468 -1.409 4.130 1.00 25.53 H new ATOM 0 HA GLU A 99 12.336 -4.062 5.290 1.00 72.10 H new ATOM 0 HB2 GLU A 99 10.515 -1.610 5.495 1.00 25.02 H new ATOM 0 HB3 GLU A 99 10.407 -3.027 6.520 1.00 25.02 H new ATOM 0 HG2 GLU A 99 12.786 -1.121 6.402 1.00 61.41 H new ATOM 0 HG3 GLU A 99 11.546 -1.116 7.641 1.00 61.41 H new ATOM 1547 N MET A 100 10.281 -3.289 2.860 1.00 51.51 N ATOM 1548 CA MET A 100 9.235 -3.800 1.940 1.00 60.12 C ATOM 1549 C MET A 100 9.754 -4.983 1.092 1.00 44.44 C ATOM 1550 O MET A 100 9.026 -5.960 0.873 1.00 5.05 O ATOM 1551 CB MET A 100 8.715 -2.674 1.002 1.00 60.43 C ATOM 1552 CG MET A 100 7.894 -1.579 1.700 1.00 1.55 C ATOM 1553 SD MET A 100 7.100 -0.455 0.527 1.00 63.13 S ATOM 1554 CE MET A 100 8.499 0.285 -0.311 1.00 65.33 C ATOM 0 H MET A 100 10.683 -2.398 2.568 1.00 51.51 H new ATOM 0 HA MET A 100 8.411 -4.153 2.560 1.00 60.12 H new ATOM 0 HB2 MET A 100 9.568 -2.209 0.509 1.00 60.43 H new ATOM 0 HB3 MET A 100 8.102 -3.125 0.221 1.00 60.43 H new ATOM 0 HG2 MET A 100 7.132 -2.044 2.325 1.00 1.55 H new ATOM 0 HG3 MET A 100 8.545 -1.008 2.362 1.00 1.55 H new ATOM 0 HE1 MET A 100 8.152 1.094 -0.954 1.00 65.33 H new ATOM 0 HE2 MET A 100 9.197 0.681 0.427 1.00 65.33 H new ATOM 0 HE3 MET A 100 9.001 -0.469 -0.917 1.00 65.33 H new