USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 758 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 277 CYS SG : rot -80:sc= -1.57! USER MOD Set 1.2: A 325 ASN : amide:sc= -4.45 K(o=-6,f=-9.8!) USER MOD Set 2.1: A 321 MET CE :methyl 172:sc= -13.7! (180deg=-12.8!) USER MOD Set 2.2: A 336 CYS SG : rot -93:sc= -2.8 USER MOD Set 3.1: A 256 ASN : amide:sc= -1.59! C(o=-1.6!,f=-1.6!) USER MOD Set 3.2: A 314 THR OG1 : rot 180:sc= 0.0025 USER MOD Set 4.1: A 296 HIS : no HE2:sc= -2.58 X(o=-6.3,f=-6.1) USER MOD Set 4.2: A 304 LYS NZ :NH3+ 153:sc= -3.74 (180deg=-6.31!) USER MOD Single : A 251 HIS : no HE2:sc= -3.15! C(o=-3.1!,f=-4.6!) USER MOD Single : A 255 SER OG : rot 180:sc= -0.738 USER MOD Single : A 259 ASN : amide:sc= -2.68! C(o=-2.7!,f=-3.1!) USER MOD Single : A 260 SER OG : rot 180:sc= -0.122 USER MOD Single : A 262 HIS : no HD1:sc= -0.774 K(o=-0.77,f=-0.12) USER MOD Single : A 266 TYR OH : rot 165:sc= -0.644 USER MOD Single : A 267 ASN : amide:sc= -5.64! C(o=-5.6!,f=-6.8!) USER MOD Single : A 268 LYS NZ :NH3+ -106:sc= -0.504 (180deg=-2.47!) USER MOD Single : A 269 THR OG1 : rot 180:sc= 0 USER MOD Single : A 270 ASN : amide:sc= -1.01 K(o=-1,f=-0.21) USER MOD Single : A 276 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.3!) USER MOD Single : A 278 THR OG1 : rot 180:sc= -1.27! USER MOD Single : A 282 SER OG : rot 180:sc= 0 USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 290 SER OG : rot 14:sc= 0.263 USER MOD Single : A 292 LYS NZ :NH3+ 169:sc= -0.471 (180deg=-0.808) USER MOD Single : A 293 MET CE :methyl -173:sc= -0.591 (180deg=-0.679) USER MOD Single : A 301 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 303 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.6!) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot -12:sc= 0.409! USER MOD Single : A 318 ASN : amide:sc= 0.247 X(o=0.25,f=0) USER MOD Single : A 319 TYR OH : rot -83:sc= 0.564 USER MOD Single : A 320 THR OG1 : rot 180:sc= 0 USER MOD Single : A 322 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00861) USER MOD Single : A 326 GLN : amide:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : A 330 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 335 LYS NZ :NH3+ -165:sc= -8.49! (180deg=-8.82!) USER MOD Single : A 339 SER OG : rot 11:sc= 1.23 USER MOD Single : A 340 ASN : amide:sc= -0.093 K(o=-0.093,f=-4.5!) USER MOD Single : A 343 THR OG1 : rot 71:sc= 1.13 USER MOD Single : A 345 LYS NZ :NH3+ -158:sc= -0.0878 (180deg=-1.15) USER MOD Single : A 346 SER OG : rot -95:sc= -0.238 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 249 3.132 -5.544 -1.380 1.00 72.03 N ATOM 43 CA LEU A 249 3.689 -6.884 -1.454 1.00 44.22 C ATOM 44 C LEU A 249 4.358 -7.228 -0.121 1.00 54.44 C ATOM 45 O LEU A 249 4.873 -6.346 0.564 1.00 33.15 O ATOM 46 CB LEU A 249 4.622 -7.010 -2.660 1.00 62.14 C ATOM 47 CG LEU A 249 5.611 -5.861 -2.867 1.00 21.02 C ATOM 48 CD1 LEU A 249 6.165 -5.368 -1.529 1.00 5.11 C ATOM 49 CD2 LEU A 249 6.725 -6.264 -3.835 1.00 40.43 C ATOM 0 HA LEU A 249 2.898 -7.617 -1.613 1.00 44.22 H new ATOM 0 HB2 LEU A 249 5.188 -7.936 -2.561 1.00 62.14 H new ATOM 0 HB3 LEU A 249 4.012 -7.104 -3.558 1.00 62.14 H new ATOM 0 HG LEU A 249 5.076 -5.027 -3.321 1.00 21.02 H new ATOM 0 HD11 LEU A 249 6.865 -4.551 -1.704 1.00 5.11 H new ATOM 0 HD12 LEU A 249 5.345 -5.015 -0.904 1.00 5.11 H new ATOM 0 HD13 LEU A 249 6.680 -6.186 -1.025 1.00 5.11 H new ATOM 0 HD21 LEU A 249 7.414 -5.429 -3.965 1.00 40.43 H new ATOM 0 HD22 LEU A 249 7.265 -7.121 -3.432 1.00 40.43 H new ATOM 0 HD23 LEU A 249 6.291 -6.529 -4.799 1.00 40.43 H new ATOM 61 N LEU A 250 4.327 -8.511 0.205 1.00 25.33 N ATOM 62 CA LEU A 250 4.924 -8.983 1.444 1.00 52.53 C ATOM 63 C LEU A 250 6.165 -9.817 1.122 1.00 61.03 C ATOM 64 O LEU A 250 6.054 -10.990 0.768 1.00 44.24 O ATOM 65 CB LEU A 250 3.887 -9.724 2.290 1.00 73.14 C ATOM 66 CG LEU A 250 4.342 -10.151 3.687 1.00 52.33 C ATOM 67 CD1 LEU A 250 5.856 -9.996 3.841 1.00 20.30 C ATOM 68 CD2 LEU A 250 3.575 -9.389 4.770 1.00 73.15 C ATOM 0 H LEU A 250 3.898 -9.239 -0.366 1.00 25.33 H new ATOM 0 HA LEU A 250 5.255 -8.141 2.052 1.00 52.53 H new ATOM 0 HB2 LEU A 250 3.010 -9.086 2.395 1.00 73.14 H new ATOM 0 HB3 LEU A 250 3.571 -10.613 1.745 1.00 73.14 H new ATOM 0 HG LEU A 250 4.112 -11.209 3.813 1.00 52.33 H new ATOM 0 HD11 LEU A 250 6.153 -10.306 4.843 1.00 20.30 H new ATOM 0 HD12 LEU A 250 6.362 -10.618 3.103 1.00 20.30 H new ATOM 0 HD13 LEU A 250 6.132 -8.953 3.687 1.00 20.30 H new ATOM 0 HD21 LEU A 250 3.917 -9.711 5.753 1.00 73.15 H new ATOM 0 HD22 LEU A 250 3.752 -8.319 4.657 1.00 73.15 H new ATOM 0 HD23 LEU A 250 2.509 -9.593 4.672 1.00 73.15 H new ATOM 80 N HIS A 251 7.319 -9.179 1.256 1.00 33.52 N ATOM 81 CA HIS A 251 8.580 -9.848 0.984 1.00 33.30 C ATOM 82 C HIS A 251 9.103 -10.499 2.266 1.00 12.33 C ATOM 83 O HIS A 251 9.146 -9.861 3.317 1.00 3.01 O ATOM 84 CB HIS A 251 9.585 -8.879 0.358 1.00 34.21 C ATOM 85 CG HIS A 251 10.505 -9.518 -0.655 1.00 34.02 C ATOM 86 ND1 HIS A 251 11.287 -8.781 -1.527 1.00 30.03 N ATOM 87 CD2 HIS A 251 10.759 -10.831 -0.924 1.00 44.44 C ATOM 88 CE1 HIS A 251 11.977 -9.622 -2.283 1.00 34.31 C ATOM 89 NE2 HIS A 251 11.648 -10.892 -1.908 1.00 71.15 N ATOM 0 H HIS A 251 7.407 -8.206 1.549 1.00 33.52 H new ATOM 0 HA HIS A 251 8.425 -10.641 0.253 1.00 33.30 H new ATOM 0 HB2 HIS A 251 9.040 -8.067 -0.123 1.00 34.21 H new ATOM 0 HB3 HIS A 251 10.187 -8.434 1.150 1.00 34.21 H new ATOM 0 HD1 HIS A 251 11.326 -7.763 -1.579 1.00 30.03 H new ATOM 0 HD2 HIS A 251 10.313 -11.677 -0.422 1.00 44.44 H new ATOM 0 HE1 HIS A 251 12.677 -9.350 -3.059 1.00 34.31 H new ATOM 97 N VAL A 252 9.487 -11.760 2.138 1.00 71.24 N ATOM 98 CA VAL A 252 10.005 -12.504 3.273 1.00 64.21 C ATOM 99 C VAL A 252 11.423 -12.985 2.958 1.00 44.53 C ATOM 100 O VAL A 252 11.843 -12.975 1.802 1.00 62.15 O ATOM 101 CB VAL A 252 9.052 -13.647 3.629 1.00 4.00 C ATOM 102 CG1 VAL A 252 9.662 -14.556 4.698 1.00 13.24 C ATOM 103 CG2 VAL A 252 7.693 -13.107 4.078 1.00 72.45 C ATOM 0 H VAL A 252 9.450 -12.286 1.265 1.00 71.24 H new ATOM 0 HA VAL A 252 10.066 -11.864 4.153 1.00 64.21 H new ATOM 0 HB VAL A 252 8.895 -14.245 2.731 1.00 4.00 H new ATOM 0 HG11 VAL A 252 8.965 -15.360 4.933 1.00 13.24 H new ATOM 0 HG12 VAL A 252 10.594 -14.981 4.325 1.00 13.24 H new ATOM 0 HG13 VAL A 252 9.863 -13.975 5.598 1.00 13.24 H new ATOM 0 HG21 VAL A 252 7.034 -13.940 4.325 1.00 72.45 H new ATOM 0 HG22 VAL A 252 7.825 -12.475 4.956 1.00 72.45 H new ATOM 0 HG23 VAL A 252 7.250 -12.521 3.273 1.00 72.45 H new ATOM 113 N GLU A 253 12.122 -13.393 4.006 1.00 23.15 N ATOM 114 CA GLU A 253 13.484 -13.876 3.856 1.00 24.21 C ATOM 115 C GLU A 253 13.650 -15.225 4.559 1.00 31.10 C ATOM 116 O GLU A 253 13.010 -15.480 5.578 1.00 24.43 O ATOM 117 CB GLU A 253 14.491 -12.854 4.388 1.00 53.22 C ATOM 118 CG GLU A 253 15.871 -13.487 4.571 1.00 63.32 C ATOM 119 CD GLU A 253 16.476 -13.884 3.222 1.00 11.43 C ATOM 120 OE1 GLU A 253 16.402 -13.108 2.258 1.00 42.41 O ATOM 121 OE2 GLU A 253 17.039 -15.044 3.197 1.00 2.22 O ATOM 0 H GLU A 253 11.771 -13.399 4.964 1.00 23.15 H new ATOM 0 HA GLU A 253 13.683 -14.015 2.793 1.00 24.21 H new ATOM 0 HB2 GLU A 253 14.561 -12.014 3.697 1.00 53.22 H new ATOM 0 HB3 GLU A 253 14.141 -12.455 5.340 1.00 53.22 H new ATOM 0 HG2 GLU A 253 16.533 -12.785 5.078 1.00 63.32 H new ATOM 0 HG3 GLU A 253 15.790 -14.366 5.210 1.00 63.32 H new ATOM 129 N VAL A 254 14.511 -16.053 3.986 1.00 4.15 N ATOM 130 CA VAL A 254 14.769 -17.369 4.546 1.00 71.25 C ATOM 131 C VAL A 254 16.257 -17.495 4.879 1.00 51.33 C ATOM 132 O VAL A 254 17.089 -17.621 3.982 1.00 41.53 O ATOM 133 CB VAL A 254 14.279 -18.452 3.582 1.00 34.01 C ATOM 134 CG1 VAL A 254 14.508 -19.848 4.164 1.00 62.31 C ATOM 135 CG2 VAL A 254 12.806 -18.242 3.225 1.00 12.00 C ATOM 0 H VAL A 254 15.039 -15.838 3.140 1.00 4.15 H new ATOM 0 HA VAL A 254 14.216 -17.504 5.475 1.00 71.25 H new ATOM 0 HB VAL A 254 14.861 -18.372 2.664 1.00 34.01 H new ATOM 0 HG11 VAL A 254 14.151 -20.599 3.459 1.00 62.31 H new ATOM 0 HG12 VAL A 254 15.573 -19.997 4.345 1.00 62.31 H new ATOM 0 HG13 VAL A 254 13.964 -19.944 5.103 1.00 62.31 H new ATOM 0 HG21 VAL A 254 12.483 -19.025 2.539 1.00 12.00 H new ATOM 0 HG22 VAL A 254 12.203 -18.282 4.132 1.00 12.00 H new ATOM 0 HG23 VAL A 254 12.682 -17.269 2.750 1.00 12.00 H new ATOM 145 N SER A 255 16.546 -17.456 6.171 1.00 25.20 N ATOM 146 CA SER A 255 17.920 -17.564 6.634 1.00 74.12 C ATOM 147 C SER A 255 18.416 -19.002 6.470 1.00 73.14 C ATOM 148 O SER A 255 19.373 -19.253 5.739 1.00 1.31 O ATOM 149 CB SER A 255 18.045 -17.123 8.093 1.00 1.23 C ATOM 150 OG SER A 255 19.376 -16.731 8.420 1.00 53.41 O ATOM 0 H SER A 255 15.853 -17.351 6.912 1.00 25.20 H new ATOM 0 HA SER A 255 18.538 -16.902 6.028 1.00 74.12 H new ATOM 0 HB2 SER A 255 17.366 -16.291 8.280 1.00 1.23 H new ATOM 0 HB3 SER A 255 17.737 -17.939 8.746 1.00 1.23 H new ATOM 0 HG SER A 255 19.414 -16.455 9.359 1.00 53.41 H new ATOM 156 N ASN A 256 17.742 -19.909 7.161 1.00 31.23 N ATOM 157 CA ASN A 256 18.102 -21.316 7.101 1.00 1.43 C ATOM 158 C ASN A 256 19.588 -21.472 7.431 1.00 41.51 C ATOM 159 O ASN A 256 20.350 -22.017 6.635 1.00 62.35 O ATOM 160 CB ASN A 256 17.866 -21.885 5.701 1.00 21.42 C ATOM 161 CG ASN A 256 18.378 -23.324 5.601 1.00 1.31 C ATOM 162 OD1 ASN A 256 19.018 -23.717 4.639 1.00 14.13 O ATOM 163 ND2 ASN A 256 18.062 -24.084 6.645 1.00 23.33 N ATOM 0 H ASN A 256 16.948 -19.697 7.766 1.00 31.23 H new ATOM 0 HA ASN A 256 17.482 -21.854 7.818 1.00 1.43 H new ATOM 0 HB2 ASN A 256 16.802 -21.857 5.468 1.00 21.42 H new ATOM 0 HB3 ASN A 256 18.371 -21.263 4.962 1.00 21.42 H new ATOM 0 HD21 ASN A 256 18.358 -25.060 6.674 1.00 23.33 H new ATOM 0 HD22 ASN A 256 17.524 -23.691 7.417 1.00 23.33 H new ATOM 170 N GLU A 257 19.955 -20.982 8.606 1.00 23.21 N ATOM 171 CA GLU A 257 21.336 -21.060 9.051 1.00 64.33 C ATOM 172 C GLU A 257 21.418 -20.869 10.567 1.00 74.44 C ATOM 173 O GLU A 257 20.392 -20.782 11.241 1.00 63.14 O ATOM 174 CB GLU A 257 22.206 -20.034 8.322 1.00 70.13 C ATOM 175 CG GLU A 257 21.512 -18.672 8.260 1.00 74.23 C ATOM 176 CD GLU A 257 22.129 -17.791 7.172 1.00 40.01 C ATOM 177 OE1 GLU A 257 21.800 -17.948 5.987 1.00 44.45 O ATOM 178 OE2 GLU A 257 22.978 -16.917 7.595 1.00 3.00 O ATOM 0 H GLU A 257 19.320 -20.529 9.263 1.00 23.21 H new ATOM 0 HA GLU A 257 21.719 -22.051 8.808 1.00 64.33 H new ATOM 0 HB2 GLU A 257 23.164 -19.935 8.833 1.00 70.13 H new ATOM 0 HB3 GLU A 257 22.418 -20.384 7.312 1.00 70.13 H new ATOM 0 HG2 GLU A 257 20.449 -18.810 8.062 1.00 74.23 H new ATOM 0 HG3 GLU A 257 21.594 -18.174 9.226 1.00 74.23 H new ATOM 186 N ASP A 258 22.646 -20.810 11.059 1.00 63.34 N ATOM 187 CA ASP A 258 22.875 -20.631 12.482 1.00 34.54 C ATOM 188 C ASP A 258 22.507 -21.921 13.219 1.00 11.24 C ATOM 189 O ASP A 258 22.318 -21.913 14.435 1.00 62.01 O ATOM 190 CB ASP A 258 22.006 -19.503 13.042 1.00 43.01 C ATOM 191 CG ASP A 258 21.894 -18.268 12.145 1.00 31.24 C ATOM 192 OD1 ASP A 258 21.066 -17.377 12.386 1.00 21.15 O ATOM 193 OD2 ASP A 258 22.713 -18.242 11.149 1.00 0.41 O ATOM 0 H ASP A 258 23.494 -20.883 10.497 1.00 63.34 H new ATOM 0 HA ASP A 258 23.926 -20.382 12.626 1.00 34.54 H new ATOM 0 HB2 ASP A 258 21.005 -19.893 13.225 1.00 43.01 H new ATOM 0 HB3 ASP A 258 22.411 -19.197 14.007 1.00 43.01 H new ATOM 199 N ASN A 259 22.416 -22.998 12.453 1.00 40.52 N ATOM 200 CA ASN A 259 22.074 -24.292 13.018 1.00 42.12 C ATOM 201 C ASN A 259 20.555 -24.394 13.166 1.00 12.40 C ATOM 202 O ASN A 259 20.056 -25.227 13.920 1.00 35.13 O ATOM 203 CB ASN A 259 22.697 -24.470 14.404 1.00 44.24 C ATOM 204 CG ASN A 259 24.106 -23.874 14.452 1.00 13.22 C ATOM 205 OD1 ASN A 259 24.865 -23.931 13.499 1.00 22.11 O ATOM 206 ND2 ASN A 259 24.411 -23.300 15.613 1.00 75.14 N ATOM 0 H ASN A 259 22.573 -23.001 11.445 1.00 40.52 H new ATOM 0 HA ASN A 259 22.456 -25.063 12.349 1.00 42.12 H new ATOM 0 HB2 ASN A 259 22.069 -23.989 15.154 1.00 44.24 H new ATOM 0 HB3 ASN A 259 22.738 -25.530 14.655 1.00 44.24 H new ATOM 0 HD21 ASN A 259 25.328 -22.873 15.745 1.00 75.14 H new ATOM 0 HD22 ASN A 259 23.728 -23.287 16.371 1.00 75.14 H new ATOM 213 N SER A 260 19.862 -23.533 12.434 1.00 30.52 N ATOM 214 CA SER A 260 18.410 -23.516 12.475 1.00 54.03 C ATOM 215 C SER A 260 17.866 -22.611 11.367 1.00 20.30 C ATOM 216 O SER A 260 18.615 -22.174 10.495 1.00 53.52 O ATOM 217 CB SER A 260 17.902 -23.047 13.840 1.00 44.02 C ATOM 218 OG SER A 260 18.935 -22.445 14.615 1.00 5.11 O ATOM 0 H SER A 260 20.279 -22.843 11.810 1.00 30.52 H new ATOM 0 HA SER A 260 18.052 -24.533 12.314 1.00 54.03 H new ATOM 0 HB2 SER A 260 17.091 -22.333 13.699 1.00 44.02 H new ATOM 0 HB3 SER A 260 17.488 -23.896 14.384 1.00 44.02 H new ATOM 0 HG SER A 260 18.571 -22.157 15.478 1.00 5.11 H new ATOM 224 N LEU A 261 16.568 -22.358 11.438 1.00 55.02 N ATOM 225 CA LEU A 261 15.915 -21.513 10.452 1.00 71.31 C ATOM 226 C LEU A 261 15.761 -20.101 11.019 1.00 41.43 C ATOM 227 O LEU A 261 15.918 -19.889 12.220 1.00 20.53 O ATOM 228 CB LEU A 261 14.595 -22.141 9.998 1.00 44.10 C ATOM 229 CG LEU A 261 14.671 -23.041 8.763 1.00 33.43 C ATOM 230 CD1 LEU A 261 13.346 -23.772 8.536 1.00 52.10 C ATOM 231 CD2 LEU A 261 15.106 -22.246 7.531 1.00 72.44 C ATOM 0 H LEU A 261 15.950 -22.723 12.163 1.00 55.02 H new ATOM 0 HA LEU A 261 16.528 -21.431 9.554 1.00 71.31 H new ATOM 0 HB2 LEU A 261 14.190 -22.725 10.824 1.00 44.10 H new ATOM 0 HB3 LEU A 261 13.885 -21.339 9.796 1.00 44.10 H new ATOM 0 HG LEU A 261 15.432 -23.801 8.940 1.00 33.43 H new ATOM 0 HD11 LEU A 261 13.426 -24.405 7.652 1.00 52.10 H new ATOM 0 HD12 LEU A 261 13.117 -24.389 9.405 1.00 52.10 H new ATOM 0 HD13 LEU A 261 12.549 -23.043 8.389 1.00 52.10 H new ATOM 0 HD21 LEU A 261 15.152 -22.909 6.667 1.00 72.44 H new ATOM 0 HD22 LEU A 261 14.387 -21.450 7.339 1.00 72.44 H new ATOM 0 HD23 LEU A 261 16.090 -21.811 7.707 1.00 72.44 H new ATOM 243 N HIS A 262 15.456 -19.170 10.127 1.00 50.42 N ATOM 244 CA HIS A 262 15.279 -17.783 10.523 1.00 2.21 C ATOM 245 C HIS A 262 14.578 -17.014 9.401 1.00 4.23 C ATOM 246 O HIS A 262 15.204 -16.654 8.405 1.00 2.24 O ATOM 247 CB HIS A 262 16.617 -17.158 10.925 1.00 53.14 C ATOM 248 CG HIS A 262 16.687 -16.735 12.373 1.00 60.14 C ATOM 249 ND1 HIS A 262 17.792 -16.975 13.171 1.00 73.11 N ATOM 250 CD2 HIS A 262 15.779 -16.085 13.156 1.00 23.34 C ATOM 251 CE1 HIS A 262 17.548 -16.488 14.379 1.00 65.51 C ATOM 252 NE2 HIS A 262 16.301 -15.938 14.368 1.00 14.21 N ATOM 0 H HIS A 262 15.327 -19.349 9.131 1.00 50.42 H new ATOM 0 HA HIS A 262 14.641 -17.731 11.405 1.00 2.21 H new ATOM 0 HB2 HIS A 262 17.415 -17.874 10.727 1.00 53.14 H new ATOM 0 HB3 HIS A 262 16.805 -16.289 10.294 1.00 53.14 H new ATOM 0 HD2 HIS A 262 14.802 -15.747 12.843 1.00 23.34 H new ATOM 0 HE1 HIS A 262 18.220 -16.521 15.224 1.00 65.51 H new ATOM 0 HE2 HIS A 262 15.844 -15.487 15.161 1.00 14.21 H new ATOM 260 N PHE A 263 13.289 -16.785 9.601 1.00 53.15 N ATOM 261 CA PHE A 263 12.496 -16.065 8.618 1.00 31.22 C ATOM 262 C PHE A 263 12.150 -14.660 9.116 1.00 72.33 C ATOM 263 O PHE A 263 11.880 -14.466 10.300 1.00 73.31 O ATOM 264 CB PHE A 263 11.202 -16.857 8.421 1.00 14.14 C ATOM 265 CG PHE A 263 11.393 -18.194 7.702 1.00 1.31 C ATOM 266 CD1 PHE A 263 11.726 -19.306 8.411 1.00 43.41 C ATOM 267 CD2 PHE A 263 11.230 -18.270 6.354 1.00 20.11 C ATOM 268 CE1 PHE A 263 11.904 -20.546 7.743 1.00 31.34 C ATOM 269 CE2 PHE A 263 11.408 -19.511 5.687 1.00 53.34 C ATOM 270 CZ PHE A 263 11.741 -20.623 6.395 1.00 11.43 C ATOM 0 H PHE A 263 12.774 -17.085 10.429 1.00 53.15 H new ATOM 0 HA PHE A 263 13.057 -15.964 7.689 1.00 31.22 H new ATOM 0 HB2 PHE A 263 10.749 -17.042 9.395 1.00 14.14 H new ATOM 0 HB3 PHE A 263 10.499 -16.248 7.853 1.00 14.14 H new ATOM 0 HD1 PHE A 263 11.855 -19.246 9.482 1.00 43.41 H new ATOM 0 HD2 PHE A 263 10.965 -17.387 5.791 1.00 20.11 H new ATOM 0 HE1 PHE A 263 12.169 -21.429 8.306 1.00 31.34 H new ATOM 0 HE2 PHE A 263 11.279 -19.572 4.616 1.00 53.34 H new ATOM 0 HZ PHE A 263 11.876 -21.567 5.887 1.00 11.43 H new ATOM 280 N ILE A 264 12.169 -13.717 8.186 1.00 2.40 N ATOM 281 CA ILE A 264 11.861 -12.335 8.515 1.00 31.32 C ATOM 282 C ILE A 264 10.872 -11.779 7.489 1.00 60.45 C ATOM 283 O ILE A 264 11.136 -11.811 6.287 1.00 14.44 O ATOM 284 CB ILE A 264 13.146 -11.514 8.639 1.00 70.25 C ATOM 285 CG1 ILE A 264 14.126 -12.173 9.611 1.00 3.12 C ATOM 286 CG2 ILE A 264 12.837 -10.067 9.028 1.00 32.34 C ATOM 287 CD1 ILE A 264 15.441 -11.392 9.678 1.00 74.44 C ATOM 0 H ILE A 264 12.393 -13.882 7.205 1.00 2.40 H new ATOM 0 HA ILE A 264 11.377 -12.275 9.490 1.00 31.32 H new ATOM 0 HB ILE A 264 13.630 -11.488 7.663 1.00 70.25 H new ATOM 0 HG12 ILE A 264 13.679 -12.226 10.604 1.00 3.12 H new ATOM 0 HG13 ILE A 264 14.323 -13.198 9.296 1.00 3.12 H new ATOM 0 HG21 ILE A 264 13.768 -9.505 9.109 1.00 32.34 H new ATOM 0 HG22 ILE A 264 12.204 -9.612 8.266 1.00 32.34 H new ATOM 0 HG23 ILE A 264 12.318 -10.051 9.987 1.00 32.34 H new ATOM 0 HD11 ILE A 264 16.120 -11.882 10.376 1.00 74.44 H new ATOM 0 HD12 ILE A 264 15.897 -11.362 8.689 1.00 74.44 H new ATOM 0 HD13 ILE A 264 15.243 -10.375 10.017 1.00 74.44 H new ATOM 299 N LEU A 265 9.754 -11.284 7.999 1.00 44.31 N ATOM 300 CA LEU A 265 8.725 -10.722 7.141 1.00 12.33 C ATOM 301 C LEU A 265 8.493 -9.258 7.522 1.00 33.24 C ATOM 302 O LEU A 265 8.520 -8.908 8.701 1.00 22.02 O ATOM 303 CB LEU A 265 7.458 -11.579 7.192 1.00 4.32 C ATOM 304 CG LEU A 265 7.652 -13.037 7.612 1.00 61.43 C ATOM 305 CD1 LEU A 265 8.120 -13.132 9.065 1.00 24.31 C ATOM 306 CD2 LEU A 265 6.381 -13.852 7.365 1.00 60.33 C ATOM 0 H LEU A 265 9.538 -11.260 8.996 1.00 44.31 H new ATOM 0 HA LEU A 265 9.048 -10.734 6.100 1.00 12.33 H new ATOM 0 HB2 LEU A 265 6.755 -11.113 7.883 1.00 4.32 H new ATOM 0 HB3 LEU A 265 6.993 -11.564 6.206 1.00 4.32 H new ATOM 0 HG LEU A 265 8.438 -13.469 6.992 1.00 61.43 H new ATOM 0 HD11 LEU A 265 8.250 -14.179 9.338 1.00 24.31 H new ATOM 0 HD12 LEU A 265 9.069 -12.607 9.177 1.00 24.31 H new ATOM 0 HD13 LEU A 265 7.375 -12.677 9.718 1.00 24.31 H new ATOM 0 HD21 LEU A 265 6.546 -14.885 7.672 1.00 60.33 H new ATOM 0 HD22 LEU A 265 5.559 -13.428 7.942 1.00 60.33 H new ATOM 0 HD23 LEU A 265 6.131 -13.824 6.304 1.00 60.33 H new ATOM 318 N TYR A 266 8.269 -8.443 6.502 1.00 2.34 N ATOM 319 CA TYR A 266 8.032 -7.025 6.716 1.00 64.05 C ATOM 320 C TYR A 266 6.748 -6.573 6.019 1.00 54.24 C ATOM 321 O TYR A 266 6.455 -7.007 4.906 1.00 71.23 O ATOM 322 CB TYR A 266 9.223 -6.299 6.085 1.00 32.24 C ATOM 323 CG TYR A 266 10.561 -7.014 6.280 1.00 63.33 C ATOM 324 CD1 TYR A 266 10.865 -8.128 5.524 1.00 72.24 C ATOM 325 CD2 TYR A 266 11.465 -6.545 7.211 1.00 24.42 C ATOM 326 CE1 TYR A 266 12.125 -8.801 5.706 1.00 34.25 C ATOM 327 CE2 TYR A 266 12.725 -7.218 7.394 1.00 23.41 C ATOM 328 CZ TYR A 266 12.993 -8.313 6.633 1.00 73.13 C ATOM 329 OH TYR A 266 14.183 -8.949 6.805 1.00 15.35 O ATOM 0 H TYR A 266 8.247 -8.737 5.526 1.00 2.34 H new ATOM 0 HA TYR A 266 7.926 -6.809 7.779 1.00 64.05 H new ATOM 0 HB2 TYR A 266 9.039 -6.180 5.017 1.00 32.24 H new ATOM 0 HB3 TYR A 266 9.292 -5.298 6.510 1.00 32.24 H new ATOM 0 HD1 TYR A 266 10.157 -8.495 4.795 1.00 72.24 H new ATOM 0 HD2 TYR A 266 11.228 -5.673 7.803 1.00 24.42 H new ATOM 0 HE1 TYR A 266 12.375 -9.673 5.120 1.00 34.25 H new ATOM 0 HE2 TYR A 266 13.441 -6.861 8.119 1.00 23.41 H new ATOM 0 HH TYR A 266 14.793 -8.371 7.309 1.00 15.35 H new ATOM 339 N ASN A 267 6.015 -5.706 6.702 1.00 30.13 N ATOM 340 CA ASN A 267 4.768 -5.190 6.163 1.00 63.22 C ATOM 341 C ASN A 267 5.053 -3.922 5.356 1.00 12.42 C ATOM 342 O ASN A 267 4.599 -2.837 5.717 1.00 34.15 O ATOM 343 CB ASN A 267 3.791 -4.829 7.283 1.00 1.11 C ATOM 344 CG ASN A 267 4.296 -3.627 8.084 1.00 35.13 C ATOM 345 OD1 ASN A 267 5.452 -3.244 8.016 1.00 31.14 O ATOM 346 ND2 ASN A 267 3.366 -3.055 8.845 1.00 63.41 N ATOM 0 H ASN A 267 6.261 -5.348 7.625 1.00 30.13 H new ATOM 0 HA ASN A 267 4.326 -5.964 5.535 1.00 63.22 H new ATOM 0 HB2 ASN A 267 2.813 -4.603 6.858 1.00 1.11 H new ATOM 0 HB3 ASN A 267 3.661 -5.684 7.946 1.00 1.11 H new ATOM 0 HD21 ASN A 267 3.603 -2.245 9.418 1.00 63.41 H new ATOM 0 HD22 ASN A 267 2.416 -3.426 8.855 1.00 63.41 H new ATOM 353 N LYS A 268 5.803 -4.100 4.279 1.00 41.42 N ATOM 354 CA LYS A 268 6.154 -2.983 3.418 1.00 14.31 C ATOM 355 C LYS A 268 4.874 -2.320 2.903 1.00 22.13 C ATOM 356 O LYS A 268 4.910 -1.196 2.404 1.00 24.52 O ATOM 357 CB LYS A 268 7.100 -3.440 2.306 1.00 51.30 C ATOM 358 CG LYS A 268 8.561 -3.287 2.732 1.00 3.24 C ATOM 359 CD LYS A 268 8.785 -3.851 4.137 1.00 73.53 C ATOM 360 CE LYS A 268 8.725 -2.743 5.189 1.00 3.33 C ATOM 361 NZ LYS A 268 9.848 -2.875 6.145 1.00 51.42 N ATOM 0 H LYS A 268 6.178 -5.001 3.982 1.00 41.42 H new ATOM 0 HA LYS A 268 6.702 -2.226 3.980 1.00 14.31 H new ATOM 0 HB2 LYS A 268 6.897 -4.482 2.057 1.00 51.30 H new ATOM 0 HB3 LYS A 268 6.917 -2.855 1.405 1.00 51.30 H new ATOM 0 HG2 LYS A 268 9.207 -3.804 2.022 1.00 3.24 H new ATOM 0 HG3 LYS A 268 8.841 -2.234 2.710 1.00 3.24 H new ATOM 0 HD2 LYS A 268 8.029 -4.605 4.355 1.00 73.53 H new ATOM 0 HD3 LYS A 268 9.754 -4.349 4.183 1.00 73.53 H new ATOM 0 HE2 LYS A 268 8.766 -1.769 4.702 1.00 3.33 H new ATOM 0 HE3 LYS A 268 7.777 -2.792 5.724 1.00 3.33 H new ATOM 0 HZ1 LYS A 268 9.491 -3.238 7.052 1.00 51.42 H new ATOM 0 HZ2 LYS A 268 10.555 -3.535 5.762 1.00 51.42 H new ATOM 0 HZ3 LYS A 268 10.288 -1.945 6.294 1.00 51.42 H new ATOM 374 N THR A 269 3.774 -3.044 3.042 1.00 34.34 N ATOM 375 CA THR A 269 2.485 -2.541 2.598 1.00 41.23 C ATOM 376 C THR A 269 2.195 -1.181 3.236 1.00 33.21 C ATOM 377 O THR A 269 3.089 -0.552 3.800 1.00 60.32 O ATOM 378 CB THR A 269 1.428 -3.600 2.916 1.00 1.03 C ATOM 379 OG1 THR A 269 1.383 -3.628 4.340 1.00 13.23 O ATOM 380 CG2 THR A 269 1.878 -5.011 2.530 1.00 14.42 C ATOM 0 H THR A 269 3.748 -3.976 3.456 1.00 34.34 H new ATOM 0 HA THR A 269 2.478 -2.368 1.522 1.00 41.23 H new ATOM 0 HB THR A 269 0.503 -3.358 2.393 1.00 1.03 H new ATOM 0 HG1 THR A 269 0.721 -4.288 4.633 1.00 13.23 H new ATOM 0 HG21 THR A 269 1.091 -5.724 2.777 1.00 14.42 H new ATOM 0 HG22 THR A 269 2.079 -5.049 1.459 1.00 14.42 H new ATOM 0 HG23 THR A 269 2.785 -5.267 3.079 1.00 14.42 H new ATOM 388 N ASN A 270 0.941 -0.767 3.126 1.00 31.53 N ATOM 389 CA ASN A 270 0.521 0.506 3.686 1.00 43.21 C ATOM 390 C ASN A 270 -0.160 0.266 5.034 1.00 14.04 C ATOM 391 O ASN A 270 0.281 0.785 6.058 1.00 24.35 O ATOM 392 CB ASN A 270 -0.481 1.208 2.768 1.00 74.34 C ATOM 393 CG ASN A 270 -0.759 2.634 3.247 1.00 71.12 C ATOM 394 OD1 ASN A 270 -0.238 3.605 2.723 1.00 32.11 O ATOM 395 ND2 ASN A 270 -1.607 2.706 4.269 1.00 61.40 N ATOM 0 H ASN A 270 0.202 -1.291 2.657 1.00 31.53 H new ATOM 0 HA ASN A 270 1.406 1.132 3.800 1.00 43.21 H new ATOM 0 HB2 ASN A 270 -0.092 1.232 1.750 1.00 74.34 H new ATOM 0 HB3 ASN A 270 -1.412 0.642 2.740 1.00 74.34 H new ATOM 0 HD21 ASN A 270 -1.857 3.614 4.661 1.00 61.40 H new ATOM 0 HD22 ASN A 270 -2.007 1.853 4.661 1.00 61.40 H new ATOM 402 N ILE A 271 -1.226 -0.521 4.991 1.00 3.41 N ATOM 403 CA ILE A 271 -1.973 -0.836 6.197 1.00 42.22 C ATOM 404 C ILE A 271 -1.051 -1.544 7.192 1.00 14.10 C ATOM 405 O ILE A 271 -0.091 -2.201 6.795 1.00 63.34 O ATOM 406 CB ILE A 271 -3.234 -1.631 5.853 1.00 1.02 C ATOM 407 CG1 ILE A 271 -2.884 -3.061 5.436 1.00 1.14 C ATOM 408 CG2 ILE A 271 -4.063 -0.910 4.788 1.00 34.34 C ATOM 409 CD1 ILE A 271 -3.995 -4.035 5.833 1.00 23.34 C ATOM 0 H ILE A 271 -1.590 -0.950 4.140 1.00 3.41 H new ATOM 0 HA ILE A 271 -2.322 0.077 6.679 1.00 42.22 H new ATOM 0 HB ILE A 271 -3.850 -1.699 6.750 1.00 1.02 H new ATOM 0 HG12 ILE A 271 -2.728 -3.101 4.358 1.00 1.14 H new ATOM 0 HG13 ILE A 271 -1.947 -3.362 5.905 1.00 1.14 H new ATOM 0 HG21 ILE A 271 -4.954 -1.496 4.562 1.00 34.34 H new ATOM 0 HG22 ILE A 271 -4.359 0.071 5.160 1.00 34.34 H new ATOM 0 HG23 ILE A 271 -3.468 -0.790 3.883 1.00 34.34 H new ATOM 0 HD11 ILE A 271 -3.721 -5.044 5.525 1.00 23.34 H new ATOM 0 HD12 ILE A 271 -4.132 -4.010 6.914 1.00 23.34 H new ATOM 0 HD13 ILE A 271 -4.925 -3.746 5.343 1.00 23.34 H new ATOM 421 N ILE A 272 -1.377 -1.386 8.467 1.00 44.44 N ATOM 422 CA ILE A 272 -0.590 -2.002 9.522 1.00 51.43 C ATOM 423 C ILE A 272 -1.048 -3.449 9.715 1.00 54.50 C ATOM 424 O ILE A 272 -2.218 -3.767 9.504 1.00 43.52 O ATOM 425 CB ILE A 272 -0.654 -1.161 10.798 1.00 11.42 C ATOM 426 CG1 ILE A 272 0.241 0.075 10.686 1.00 25.12 C ATOM 427 CG2 ILE A 272 -0.315 -2.005 12.028 1.00 10.35 C ATOM 428 CD1 ILE A 272 -0.476 1.321 11.208 1.00 53.54 C ATOM 0 H ILE A 272 -2.175 -0.841 8.793 1.00 44.44 H new ATOM 0 HA ILE A 272 0.463 -2.035 9.242 1.00 51.43 H new ATOM 0 HB ILE A 272 -1.677 -0.807 10.923 1.00 11.42 H new ATOM 0 HG12 ILE A 272 1.159 -0.084 11.252 1.00 25.12 H new ATOM 0 HG13 ILE A 272 0.530 0.226 9.646 1.00 25.12 H new ATOM 0 HG21 ILE A 272 -0.368 -1.383 12.922 1.00 10.35 H new ATOM 0 HG22 ILE A 272 -1.028 -2.825 12.114 1.00 10.35 H new ATOM 0 HG23 ILE A 272 0.692 -2.409 11.926 1.00 10.35 H new ATOM 0 HD11 ILE A 272 0.183 2.185 11.117 1.00 53.54 H new ATOM 0 HD12 ILE A 272 -1.381 1.491 10.625 1.00 53.54 H new ATOM 0 HD13 ILE A 272 -0.741 1.176 12.255 1.00 53.54 H new ATOM 440 N ILE A 273 -0.103 -4.287 10.114 1.00 12.33 N ATOM 441 CA ILE A 273 -0.395 -5.692 10.338 1.00 33.34 C ATOM 442 C ILE A 273 -1.332 -5.829 11.541 1.00 44.24 C ATOM 443 O ILE A 273 -1.167 -5.135 12.543 1.00 45.25 O ATOM 444 CB ILE A 273 0.901 -6.494 10.474 1.00 11.22 C ATOM 445 CG1 ILE A 273 1.468 -6.857 9.100 1.00 14.11 C ATOM 446 CG2 ILE A 273 0.692 -7.729 11.353 1.00 42.12 C ATOM 447 CD1 ILE A 273 0.425 -7.589 8.253 1.00 53.41 C ATOM 0 H ILE A 273 0.866 -4.020 10.288 1.00 12.33 H new ATOM 0 HA ILE A 273 -0.915 -6.114 9.478 1.00 33.34 H new ATOM 0 HB ILE A 273 1.640 -5.866 10.972 1.00 11.22 H new ATOM 0 HG12 ILE A 273 1.790 -5.952 8.585 1.00 14.11 H new ATOM 0 HG13 ILE A 273 2.350 -7.486 9.221 1.00 14.11 H new ATOM 0 HG21 ILE A 273 1.628 -8.281 11.433 1.00 42.12 H new ATOM 0 HG22 ILE A 273 0.368 -7.418 12.346 1.00 42.12 H new ATOM 0 HG23 ILE A 273 -0.069 -8.369 10.907 1.00 42.12 H new ATOM 0 HD11 ILE A 273 0.853 -7.836 7.281 1.00 53.41 H new ATOM 0 HD12 ILE A 273 0.123 -8.506 8.760 1.00 53.41 H new ATOM 0 HD13 ILE A 273 -0.445 -6.948 8.114 1.00 53.41 H new ATOM 459 N PRO A 274 -2.320 -6.752 11.398 1.00 62.24 N ATOM 460 CA PRO A 274 -3.283 -6.989 12.460 1.00 44.33 C ATOM 461 C PRO A 274 -2.653 -7.788 13.602 1.00 33.43 C ATOM 462 O PRO A 274 -3.083 -7.681 14.750 1.00 64.00 O ATOM 463 CB PRO A 274 -4.436 -7.717 11.790 1.00 73.11 C ATOM 464 CG PRO A 274 -3.880 -8.272 10.489 1.00 41.34 C ATOM 465 CD PRO A 274 -2.546 -7.593 10.225 1.00 1.52 C ATOM 0 HA PRO A 274 -3.630 -6.067 12.927 1.00 44.33 H new ATOM 0 HB2 PRO A 274 -4.814 -8.517 12.426 1.00 73.11 H new ATOM 0 HB3 PRO A 274 -5.269 -7.039 11.601 1.00 73.11 H new ATOM 0 HG2 PRO A 274 -3.751 -9.352 10.559 1.00 41.34 H new ATOM 0 HG3 PRO A 274 -4.572 -8.086 9.668 1.00 41.34 H new ATOM 0 HD2 PRO A 274 -1.747 -8.324 10.102 1.00 1.52 H new ATOM 0 HD3 PRO A 274 -2.578 -6.999 9.312 1.00 1.52 H new ATOM 473 N GLY A 275 -1.645 -8.572 13.248 1.00 35.34 N ATOM 474 CA GLY A 275 -0.953 -9.390 14.230 1.00 44.42 C ATOM 475 C GLY A 275 -1.726 -10.679 14.514 1.00 11.21 C ATOM 476 O GLY A 275 -2.775 -10.922 13.919 1.00 44.13 O ATOM 0 H GLY A 275 -1.291 -8.658 12.295 1.00 35.34 H new ATOM 0 HA2 GLY A 275 0.046 -9.633 13.867 1.00 44.42 H new ATOM 0 HA3 GLY A 275 -0.827 -8.826 15.154 1.00 44.42 H new ATOM 480 N ASN A 276 -1.179 -11.471 15.424 1.00 63.10 N ATOM 481 CA ASN A 276 -1.804 -12.729 15.794 1.00 31.34 C ATOM 482 C ASN A 276 -1.975 -13.596 14.545 1.00 15.22 C ATOM 483 O ASN A 276 -3.059 -14.120 14.293 1.00 53.11 O ATOM 484 CB ASN A 276 -3.189 -12.498 16.403 1.00 44.11 C ATOM 485 CG ASN A 276 -3.769 -13.801 16.955 1.00 35.12 C ATOM 486 OD1 ASN A 276 -3.265 -14.886 16.717 1.00 21.10 O ATOM 487 ND2 ASN A 276 -4.856 -13.635 17.704 1.00 3.43 N ATOM 0 H ASN A 276 -0.310 -11.266 15.916 1.00 63.10 H new ATOM 0 HA ASN A 276 -1.165 -13.220 16.528 1.00 31.34 H new ATOM 0 HB2 ASN A 276 -3.121 -11.759 17.201 1.00 44.11 H new ATOM 0 HB3 ASN A 276 -3.859 -12.089 15.647 1.00 44.11 H new ATOM 0 HD21 ASN A 276 -5.318 -14.444 18.118 1.00 3.43 H new ATOM 0 HD22 ASN A 276 -5.227 -12.698 17.864 1.00 3.43 H new ATOM 494 N CYS A 277 -0.890 -13.720 13.796 1.00 5.24 N ATOM 495 CA CYS A 277 -0.906 -14.514 12.580 1.00 51.24 C ATOM 496 C CYS A 277 -0.406 -15.920 12.917 1.00 41.23 C ATOM 497 O CYS A 277 -0.057 -16.200 14.062 1.00 23.23 O ATOM 498 CB CYS A 277 -0.078 -13.864 11.469 1.00 21.41 C ATOM 499 SG CYS A 277 -1.072 -12.591 10.610 1.00 13.21 S ATOM 0 H CYS A 277 0.007 -13.283 14.008 1.00 5.24 H new ATOM 0 HA CYS A 277 -1.924 -14.575 12.196 1.00 51.24 H new ATOM 0 HB2 CYS A 277 0.820 -13.413 11.890 1.00 21.41 H new ATOM 0 HB3 CYS A 277 0.250 -14.622 10.758 1.00 21.41 H new ATOM 0 HG CYS A 277 -1.858 -13.163 9.747 1.00 13.21 H new ATOM 505 N THR A 278 -0.387 -16.767 11.898 1.00 53.20 N ATOM 506 CA THR A 278 0.064 -18.137 12.072 1.00 43.21 C ATOM 507 C THR A 278 0.639 -18.679 10.762 1.00 61.21 C ATOM 508 O THR A 278 -0.105 -19.132 9.893 1.00 13.54 O ATOM 509 CB THR A 278 -1.111 -18.958 12.606 1.00 51.11 C ATOM 510 OG1 THR A 278 -1.842 -18.036 13.409 1.00 11.34 O ATOM 511 CG2 THR A 278 -0.669 -20.042 13.591 1.00 3.43 C ATOM 0 H THR A 278 -0.677 -16.531 10.949 1.00 53.20 H new ATOM 0 HA THR A 278 0.876 -18.197 12.797 1.00 43.21 H new ATOM 0 HB THR A 278 -1.639 -19.420 11.772 1.00 51.11 H new ATOM 0 HG1 THR A 278 -2.623 -18.485 13.794 1.00 11.34 H new ATOM 0 HG21 THR A 278 -1.541 -20.595 13.939 1.00 3.43 H new ATOM 0 HG22 THR A 278 0.020 -20.726 13.095 1.00 3.43 H new ATOM 0 HG23 THR A 278 -0.170 -19.579 14.442 1.00 3.43 H new ATOM 519 N PHE A 279 1.959 -18.616 10.661 1.00 74.11 N ATOM 520 CA PHE A 279 2.642 -19.095 9.471 1.00 31.34 C ATOM 521 C PHE A 279 2.243 -20.538 9.154 1.00 42.13 C ATOM 522 O PHE A 279 1.766 -21.261 10.027 1.00 4.34 O ATOM 523 CB PHE A 279 4.142 -19.047 9.767 1.00 1.23 C ATOM 524 CG PHE A 279 4.996 -18.590 8.582 1.00 33.14 C ATOM 525 CD1 PHE A 279 4.572 -17.567 7.793 1.00 14.12 C ATOM 526 CD2 PHE A 279 6.178 -19.208 8.318 1.00 4.54 C ATOM 527 CE1 PHE A 279 5.364 -17.143 6.694 1.00 72.15 C ATOM 528 CE2 PHE A 279 6.971 -18.784 7.219 1.00 55.33 C ATOM 529 CZ PHE A 279 6.547 -17.760 6.430 1.00 74.55 C ATOM 0 H PHE A 279 2.573 -18.241 11.384 1.00 74.11 H new ATOM 0 HA PHE A 279 2.376 -18.476 8.614 1.00 31.34 H new ATOM 0 HB2 PHE A 279 4.315 -18.374 10.607 1.00 1.23 H new ATOM 0 HB3 PHE A 279 4.472 -20.038 10.079 1.00 1.23 H new ATOM 0 HD1 PHE A 279 3.633 -17.077 8.002 1.00 14.12 H new ATOM 0 HD2 PHE A 279 6.514 -20.021 8.944 1.00 4.54 H new ATOM 0 HE1 PHE A 279 5.027 -16.330 6.067 1.00 72.15 H new ATOM 0 HE2 PHE A 279 7.910 -19.274 7.010 1.00 55.33 H new ATOM 0 HZ PHE A 279 7.150 -17.437 5.594 1.00 74.55 H new ATOM 539 N GLU A 280 2.453 -20.914 7.901 1.00 41.13 N ATOM 540 CA GLU A 280 2.122 -22.257 7.457 1.00 75.21 C ATOM 541 C GLU A 280 3.155 -22.751 6.442 1.00 33.13 C ATOM 542 O GLU A 280 2.885 -22.784 5.243 1.00 44.25 O ATOM 543 CB GLU A 280 0.709 -22.308 6.870 1.00 4.13 C ATOM 544 CG GLU A 280 0.468 -23.629 6.137 1.00 55.54 C ATOM 545 CD GLU A 280 -1.021 -23.983 6.123 1.00 63.35 C ATOM 546 OE1 GLU A 280 -1.859 -23.127 5.806 1.00 53.42 O ATOM 547 OE2 GLU A 280 -1.294 -25.199 6.455 1.00 75.30 O ATOM 0 H GLU A 280 2.848 -20.312 7.179 1.00 41.13 H new ATOM 0 HA GLU A 280 2.145 -22.920 8.322 1.00 75.21 H new ATOM 0 HB2 GLU A 280 -0.025 -22.191 7.668 1.00 4.13 H new ATOM 0 HB3 GLU A 280 0.567 -21.475 6.182 1.00 4.13 H new ATOM 0 HG2 GLU A 280 0.838 -23.555 5.114 1.00 55.54 H new ATOM 0 HG3 GLU A 280 1.031 -24.426 6.622 1.00 55.54 H new ATOM 555 N PHE A 281 4.316 -23.123 6.961 1.00 33.12 N ATOM 556 CA PHE A 281 5.391 -23.614 6.115 1.00 15.15 C ATOM 557 C PHE A 281 5.606 -25.115 6.319 1.00 43.14 C ATOM 558 O PHE A 281 5.878 -25.562 7.432 1.00 13.41 O ATOM 559 CB PHE A 281 6.661 -22.868 6.528 1.00 13.44 C ATOM 560 CG PHE A 281 7.112 -23.154 7.962 1.00 65.11 C ATOM 561 CD1 PHE A 281 6.501 -22.531 9.005 1.00 71.21 C ATOM 562 CD2 PHE A 281 8.126 -24.031 8.193 1.00 35.41 C ATOM 563 CE1 PHE A 281 6.920 -22.797 10.335 1.00 2.02 C ATOM 564 CE2 PHE A 281 8.545 -24.297 9.524 1.00 71.25 C ATOM 565 CZ PHE A 281 7.933 -23.674 10.567 1.00 63.35 C ATOM 0 H PHE A 281 4.536 -23.094 7.957 1.00 33.12 H new ATOM 0 HA PHE A 281 5.145 -23.448 5.066 1.00 15.15 H new ATOM 0 HB2 PHE A 281 7.466 -23.136 5.844 1.00 13.44 H new ATOM 0 HB3 PHE A 281 6.493 -21.797 6.418 1.00 13.44 H new ATOM 0 HD1 PHE A 281 5.697 -21.834 8.821 1.00 71.21 H new ATOM 0 HD2 PHE A 281 8.612 -24.525 7.365 1.00 35.41 H new ATOM 0 HE1 PHE A 281 6.434 -22.303 11.163 1.00 2.02 H new ATOM 0 HE2 PHE A 281 9.349 -24.994 9.708 1.00 71.25 H new ATOM 0 HZ PHE A 281 8.252 -23.876 11.579 1.00 63.35 H new ATOM 575 N SER A 282 5.478 -25.852 5.225 1.00 34.13 N ATOM 576 CA SER A 282 5.655 -27.294 5.269 1.00 1.44 C ATOM 577 C SER A 282 6.955 -27.683 4.562 1.00 11.42 C ATOM 578 O SER A 282 7.672 -26.821 4.055 1.00 33.31 O ATOM 579 CB SER A 282 4.467 -28.015 4.630 1.00 12.32 C ATOM 580 OG SER A 282 4.658 -28.224 3.234 1.00 73.14 O ATOM 0 H SER A 282 5.254 -25.478 4.303 1.00 34.13 H new ATOM 0 HA SER A 282 5.711 -27.600 6.314 1.00 1.44 H new ATOM 0 HB2 SER A 282 4.318 -28.975 5.123 1.00 12.32 H new ATOM 0 HB3 SER A 282 3.560 -27.431 4.789 1.00 12.32 H new ATOM 0 HG SER A 282 3.879 -28.688 2.863 1.00 73.14 H new ATOM 586 N SER A 283 7.219 -28.981 4.551 1.00 3.22 N ATOM 587 CA SER A 283 8.420 -29.495 3.915 1.00 43.44 C ATOM 588 C SER A 283 8.044 -30.463 2.791 1.00 12.14 C ATOM 589 O SER A 283 8.640 -30.434 1.716 1.00 51.42 O ATOM 590 CB SER A 283 9.329 -30.189 4.931 1.00 13.44 C ATOM 591 OG SER A 283 9.098 -31.594 4.981 1.00 20.04 O ATOM 0 H SER A 283 6.622 -29.692 4.972 1.00 3.22 H new ATOM 0 HA SER A 283 8.969 -28.653 3.493 1.00 43.44 H new ATOM 0 HB2 SER A 283 10.371 -30.002 4.672 1.00 13.44 H new ATOM 0 HB3 SER A 283 9.164 -29.759 5.919 1.00 13.44 H new ATOM 0 HG SER A 283 9.699 -32.001 5.640 1.00 20.04 H new ATOM 660 N VAL A 288 2.319 -30.128 7.464 1.00 75.24 N ATOM 661 CA VAL A 288 2.807 -28.764 7.567 1.00 42.41 C ATOM 662 C VAL A 288 2.905 -28.372 9.043 1.00 50.24 C ATOM 663 O VAL A 288 2.433 -29.100 9.914 1.00 15.34 O ATOM 664 CB VAL A 288 1.911 -27.824 6.757 1.00 63.20 C ATOM 665 CG1 VAL A 288 0.493 -27.791 7.329 1.00 12.33 C ATOM 666 CG2 VAL A 288 2.510 -26.418 6.691 1.00 15.41 C ATOM 0 HA VAL A 288 3.807 -28.684 7.142 1.00 42.41 H new ATOM 0 HB VAL A 288 1.852 -28.210 5.739 1.00 63.20 H new ATOM 0 HG11 VAL A 288 -0.123 -27.116 6.735 1.00 12.33 H new ATOM 0 HG12 VAL A 288 0.065 -28.793 7.299 1.00 12.33 H new ATOM 0 HG13 VAL A 288 0.525 -27.441 8.361 1.00 12.33 H new ATOM 0 HG21 VAL A 288 1.854 -25.770 6.110 1.00 15.41 H new ATOM 0 HG22 VAL A 288 2.613 -26.019 7.700 1.00 15.41 H new ATOM 0 HG23 VAL A 288 3.490 -26.462 6.216 1.00 15.41 H new ATOM 676 N PHE A 289 3.521 -27.223 9.277 1.00 2.32 N ATOM 677 CA PHE A 289 3.687 -26.725 10.632 1.00 31.34 C ATOM 678 C PHE A 289 3.269 -25.257 10.733 1.00 50.15 C ATOM 679 O PHE A 289 3.584 -24.457 9.853 1.00 3.32 O ATOM 680 CB PHE A 289 5.174 -26.845 10.974 1.00 55.42 C ATOM 681 CG PHE A 289 5.453 -27.090 12.458 1.00 43.11 C ATOM 682 CD1 PHE A 289 5.356 -26.065 13.347 1.00 74.32 C ATOM 683 CD2 PHE A 289 5.800 -28.333 12.888 1.00 13.22 C ATOM 684 CE1 PHE A 289 5.615 -26.293 14.724 1.00 23.12 C ATOM 685 CE2 PHE A 289 6.059 -28.560 14.265 1.00 23.55 C ATOM 686 CZ PHE A 289 5.962 -27.536 15.154 1.00 14.14 C ATOM 0 H PHE A 289 3.911 -26.622 8.551 1.00 2.32 H new ATOM 0 HA PHE A 289 3.064 -27.299 11.318 1.00 31.34 H new ATOM 0 HB2 PHE A 289 5.605 -27.661 10.394 1.00 55.42 H new ATOM 0 HB3 PHE A 289 5.682 -25.932 10.665 1.00 55.42 H new ATOM 0 HD1 PHE A 289 5.082 -25.078 13.005 1.00 74.32 H new ATOM 0 HD2 PHE A 289 5.878 -29.147 12.182 1.00 13.22 H new ATOM 0 HE1 PHE A 289 5.537 -25.480 15.430 1.00 23.12 H new ATOM 0 HE2 PHE A 289 6.333 -29.547 14.607 1.00 23.55 H new ATOM 0 HZ PHE A 289 6.160 -27.709 16.201 1.00 14.14 H new ATOM 696 N SER A 290 2.565 -24.947 11.812 1.00 65.33 N ATOM 697 CA SER A 290 2.101 -23.589 12.038 1.00 21.22 C ATOM 698 C SER A 290 2.743 -23.021 13.306 1.00 73.41 C ATOM 699 O SER A 290 2.660 -23.628 14.373 1.00 42.21 O ATOM 700 CB SER A 290 0.576 -23.540 12.147 1.00 12.24 C ATOM 701 OG SER A 290 0.112 -24.065 13.389 1.00 42.45 O ATOM 0 H SER A 290 2.305 -25.613 12.539 1.00 65.33 H new ATOM 0 HA SER A 290 2.397 -22.979 11.184 1.00 21.22 H new ATOM 0 HB2 SER A 290 0.238 -22.509 12.040 1.00 12.24 H new ATOM 0 HB3 SER A 290 0.136 -24.107 11.327 1.00 12.24 H new ATOM 0 HG SER A 290 0.865 -24.147 14.011 1.00 42.45 H new ATOM 707 N ILE A 291 3.367 -21.864 13.147 1.00 45.01 N ATOM 708 CA ILE A 291 4.023 -21.207 14.265 1.00 32.43 C ATOM 709 C ILE A 291 3.174 -20.019 14.722 1.00 31.54 C ATOM 710 O ILE A 291 2.833 -19.151 13.921 1.00 0.31 O ATOM 711 CB ILE A 291 5.460 -20.831 13.899 1.00 71.53 C ATOM 712 CG1 ILE A 291 6.415 -21.999 14.156 1.00 73.12 C ATOM 713 CG2 ILE A 291 5.898 -19.561 14.630 1.00 31.12 C ATOM 714 CD1 ILE A 291 7.776 -21.748 13.503 1.00 33.42 C ATOM 0 H ILE A 291 3.433 -21.364 12.260 1.00 45.01 H new ATOM 0 HA ILE A 291 4.103 -21.888 15.113 1.00 32.43 H new ATOM 0 HB ILE A 291 5.495 -20.616 12.831 1.00 71.53 H new ATOM 0 HG12 ILE A 291 6.543 -22.139 15.229 1.00 73.12 H new ATOM 0 HG13 ILE A 291 5.983 -22.920 13.763 1.00 73.12 H new ATOM 0 HG21 ILE A 291 6.923 -19.316 14.352 1.00 31.12 H new ATOM 0 HG22 ILE A 291 5.240 -18.737 14.354 1.00 31.12 H new ATOM 0 HG23 ILE A 291 5.843 -19.723 15.706 1.00 31.12 H new ATOM 0 HD11 ILE A 291 8.436 -22.593 13.701 1.00 33.42 H new ATOM 0 HD12 ILE A 291 7.647 -21.632 12.427 1.00 33.42 H new ATOM 0 HD13 ILE A 291 8.216 -20.840 13.916 1.00 33.42 H new ATOM 726 N LYS A 292 2.857 -20.020 16.009 1.00 50.32 N ATOM 727 CA LYS A 292 2.054 -18.953 16.582 1.00 4.31 C ATOM 728 C LYS A 292 2.854 -17.649 16.556 1.00 2.34 C ATOM 729 O LYS A 292 3.835 -17.504 17.284 1.00 43.41 O ATOM 730 CB LYS A 292 1.560 -19.344 17.976 1.00 4.24 C ATOM 731 CG LYS A 292 0.769 -20.652 17.930 1.00 34.35 C ATOM 732 CD LYS A 292 -0.084 -20.733 16.663 1.00 51.03 C ATOM 733 CE LYS A 292 -0.949 -21.995 16.663 1.00 14.34 C ATOM 734 NZ LYS A 292 -1.292 -22.388 18.049 1.00 41.54 N ATOM 0 H LYS A 292 3.142 -20.742 16.671 1.00 50.32 H new ATOM 0 HA LYS A 292 1.156 -18.789 15.986 1.00 4.31 H new ATOM 0 HB2 LYS A 292 2.410 -19.452 18.650 1.00 4.24 H new ATOM 0 HB3 LYS A 292 0.933 -18.549 18.380 1.00 4.24 H new ATOM 0 HG2 LYS A 292 1.456 -21.498 17.965 1.00 34.35 H new ATOM 0 HG3 LYS A 292 0.129 -20.725 18.809 1.00 34.35 H new ATOM 0 HD2 LYS A 292 -0.721 -19.851 16.592 1.00 51.03 H new ATOM 0 HD3 LYS A 292 0.562 -20.731 15.785 1.00 51.03 H new ATOM 0 HE2 LYS A 292 -1.861 -21.818 16.093 1.00 14.34 H new ATOM 0 HE3 LYS A 292 -0.417 -22.808 16.169 1.00 14.34 H new ATOM 0 HZ1 LYS A 292 -2.024 -23.126 18.029 1.00 41.54 H new ATOM 0 HZ2 LYS A 292 -0.444 -22.754 18.526 1.00 41.54 H new ATOM 0 HZ3 LYS A 292 -1.650 -21.560 18.566 1.00 41.54 H new ATOM 747 N MET A 293 2.405 -16.733 15.711 1.00 40.03 N ATOM 748 CA MET A 293 3.067 -15.446 15.581 1.00 54.24 C ATOM 749 C MET A 293 2.624 -14.487 16.688 1.00 32.30 C ATOM 750 O MET A 293 1.434 -14.380 16.983 1.00 64.54 O ATOM 751 CB MET A 293 2.736 -14.837 14.216 1.00 21.43 C ATOM 752 CG MET A 293 3.392 -15.635 13.087 1.00 11.30 C ATOM 753 SD MET A 293 2.737 -15.113 11.511 1.00 52.22 S ATOM 754 CE MET A 293 3.593 -13.558 11.319 1.00 73.21 C ATOM 0 H MET A 293 1.591 -16.856 15.109 1.00 40.03 H new ATOM 0 HA MET A 293 4.142 -15.601 15.669 1.00 54.24 H new ATOM 0 HB2 MET A 293 1.655 -14.820 14.074 1.00 21.43 H new ATOM 0 HB3 MET A 293 3.079 -13.803 14.182 1.00 21.43 H new ATOM 0 HG2 MET A 293 4.472 -15.489 13.108 1.00 11.30 H new ATOM 0 HG3 MET A 293 3.211 -16.700 13.231 1.00 11.30 H new ATOM 0 HE1 MET A 293 3.207 -13.036 10.443 1.00 73.21 H new ATOM 0 HE2 MET A 293 3.436 -12.944 12.206 1.00 73.21 H new ATOM 0 HE3 MET A 293 4.659 -13.743 11.190 1.00 73.21 H new ATOM 764 N GLY A 294 3.605 -13.815 17.271 1.00 12.55 N ATOM 765 CA GLY A 294 3.331 -12.869 18.340 1.00 43.51 C ATOM 766 C GLY A 294 2.035 -12.100 18.074 1.00 63.15 C ATOM 767 O GLY A 294 1.709 -11.806 16.925 1.00 53.03 O ATOM 0 H GLY A 294 4.590 -13.906 17.024 1.00 12.55 H new ATOM 0 HA2 GLY A 294 3.255 -13.400 19.289 1.00 43.51 H new ATOM 0 HA3 GLY A 294 4.161 -12.169 18.432 1.00 43.51 H new ATOM 771 N PRO A 295 1.313 -11.789 19.183 1.00 1.21 N ATOM 772 CA PRO A 295 0.060 -11.060 19.081 1.00 62.43 C ATOM 773 C PRO A 295 0.309 -9.580 18.785 1.00 2.12 C ATOM 774 O PRO A 295 -0.577 -8.884 18.292 1.00 32.01 O ATOM 775 CB PRO A 295 -0.639 -11.291 20.410 1.00 30.33 C ATOM 776 CG PRO A 295 0.442 -11.749 21.376 1.00 42.40 C ATOM 777 CD PRO A 295 1.669 -12.121 20.560 1.00 40.14 C ATOM 0 HA PRO A 295 -0.561 -11.405 18.255 1.00 62.43 H new ATOM 0 HB2 PRO A 295 -1.117 -10.378 20.764 1.00 30.33 H new ATOM 0 HB3 PRO A 295 -1.421 -12.044 20.314 1.00 30.33 H new ATOM 0 HG2 PRO A 295 0.681 -10.956 22.085 1.00 42.40 H new ATOM 0 HG3 PRO A 295 0.097 -12.604 21.958 1.00 42.40 H new ATOM 0 HD2 PRO A 295 2.546 -11.563 20.888 1.00 40.14 H new ATOM 0 HD3 PRO A 295 1.907 -13.180 20.663 1.00 40.14 H new ATOM 785 N HIS A 296 1.520 -9.142 19.099 1.00 73.21 N ATOM 786 CA HIS A 296 1.897 -7.757 18.873 1.00 34.21 C ATOM 787 C HIS A 296 2.013 -7.496 17.370 1.00 12.41 C ATOM 788 O HIS A 296 2.688 -8.237 16.658 1.00 43.43 O ATOM 789 CB HIS A 296 3.177 -7.411 19.636 1.00 72.30 C ATOM 790 CG HIS A 296 4.370 -8.251 19.246 1.00 50.21 C ATOM 791 ND1 HIS A 296 5.669 -7.908 19.579 1.00 52.03 N ATOM 792 CD2 HIS A 296 4.447 -9.421 18.549 1.00 11.03 C ATOM 793 CE1 HIS A 296 6.483 -8.836 19.098 1.00 33.51 C ATOM 794 NE2 HIS A 296 5.724 -9.773 18.460 1.00 15.00 N ATOM 0 H HIS A 296 2.253 -9.722 19.508 1.00 73.21 H new ATOM 0 HA HIS A 296 1.122 -7.097 19.262 1.00 34.21 H new ATOM 0 HB2 HIS A 296 3.415 -6.360 19.469 1.00 72.30 H new ATOM 0 HB3 HIS A 296 2.995 -7.530 20.704 1.00 72.30 H new ATOM 0 HD1 HIS A 296 5.952 -7.081 20.105 1.00 52.03 H new ATOM 0 HD2 HIS A 296 3.611 -9.968 18.139 1.00 11.03 H new ATOM 0 HE1 HIS A 296 7.559 -8.849 19.194 1.00 33.51 H new ATOM 802 N GLU A 297 1.344 -6.439 16.932 1.00 33.15 N ATOM 803 CA GLU A 297 1.363 -6.070 15.527 1.00 23.31 C ATOM 804 C GLU A 297 2.789 -5.729 15.088 1.00 74.12 C ATOM 805 O GLU A 297 3.610 -5.310 15.902 1.00 34.13 O ATOM 806 CB GLU A 297 0.411 -4.905 15.253 1.00 42.51 C ATOM 807 CG GLU A 297 0.973 -3.595 15.810 1.00 42.12 C ATOM 808 CD GLU A 297 -0.153 -2.619 16.157 1.00 2.11 C ATOM 809 OE1 GLU A 297 -1.317 -3.031 16.271 1.00 1.43 O ATOM 810 OE2 GLU A 297 0.217 -1.393 16.311 1.00 53.42 O ATOM 0 H GLU A 297 0.785 -5.826 17.526 1.00 33.15 H new ATOM 0 HA GLU A 297 1.017 -6.923 14.942 1.00 23.31 H new ATOM 0 HB2 GLU A 297 0.249 -4.808 14.180 1.00 42.51 H new ATOM 0 HB3 GLU A 297 -0.560 -5.110 15.705 1.00 42.51 H new ATOM 0 HG2 GLU A 297 1.569 -3.800 16.700 1.00 42.12 H new ATOM 0 HG3 GLU A 297 1.640 -3.141 15.077 1.00 42.12 H new ATOM 818 N ILE A 298 3.039 -5.921 13.801 1.00 21.30 N ATOM 819 CA ILE A 298 4.351 -5.639 13.244 1.00 70.14 C ATOM 820 C ILE A 298 4.578 -4.126 13.226 1.00 62.21 C ATOM 821 O ILE A 298 5.159 -3.571 14.157 1.00 31.24 O ATOM 822 CB ILE A 298 4.504 -6.300 11.872 1.00 31.12 C ATOM 823 CG1 ILE A 298 5.005 -7.739 12.010 1.00 71.20 C ATOM 824 CG2 ILE A 298 5.403 -5.465 10.958 1.00 22.04 C ATOM 825 CD1 ILE A 298 4.445 -8.624 10.894 1.00 13.15 C ATOM 0 H ILE A 298 2.355 -6.268 13.128 1.00 21.30 H new ATOM 0 HA ILE A 298 5.132 -6.072 13.870 1.00 70.14 H new ATOM 0 HB ILE A 298 3.521 -6.345 11.403 1.00 31.12 H new ATOM 0 HG12 ILE A 298 6.094 -7.753 11.978 1.00 71.20 H new ATOM 0 HG13 ILE A 298 4.709 -8.139 12.980 1.00 71.20 H new ATOM 0 HG21 ILE A 298 5.495 -5.957 9.990 1.00 22.04 H new ATOM 0 HG22 ILE A 298 4.966 -4.476 10.822 1.00 22.04 H new ATOM 0 HG23 ILE A 298 6.390 -5.366 11.410 1.00 22.04 H new ATOM 0 HD11 ILE A 298 4.817 -9.641 11.015 1.00 13.15 H new ATOM 0 HD12 ILE A 298 3.356 -8.627 10.944 1.00 13.15 H new ATOM 0 HD13 ILE A 298 4.763 -8.235 9.927 1.00 13.15 H new ATOM 837 N GLY A 299 4.108 -3.502 12.156 1.00 44.01 N ATOM 838 CA GLY A 299 4.253 -2.064 12.005 1.00 60.14 C ATOM 839 C GLY A 299 5.275 -1.727 10.917 1.00 61.20 C ATOM 840 O GLY A 299 5.811 -2.622 10.265 1.00 71.10 O ATOM 0 H GLY A 299 3.627 -3.966 11.385 1.00 44.01 H new ATOM 0 HA2 GLY A 299 3.289 -1.622 11.753 1.00 60.14 H new ATOM 0 HA3 GLY A 299 4.567 -1.625 12.952 1.00 60.14 H new ATOM 844 N ILE A 300 5.515 -0.434 10.755 1.00 74.22 N ATOM 845 CA ILE A 300 6.463 0.032 9.757 1.00 31.14 C ATOM 846 C ILE A 300 7.655 -0.925 9.707 1.00 63.40 C ATOM 847 O ILE A 300 7.642 -1.901 8.957 1.00 12.54 O ATOM 848 CB ILE A 300 6.853 1.486 10.028 1.00 41.53 C ATOM 849 CG1 ILE A 300 5.687 2.431 9.730 1.00 40.31 C ATOM 850 CG2 ILE A 300 8.114 1.869 9.250 1.00 0.42 C ATOM 851 CD1 ILE A 300 6.059 3.880 10.054 1.00 74.24 C ATOM 0 H ILE A 300 5.069 0.306 11.298 1.00 74.22 H new ATOM 0 HA ILE A 300 6.008 0.027 8.767 1.00 31.14 H new ATOM 0 HB ILE A 300 7.085 1.586 11.088 1.00 41.53 H new ATOM 0 HG12 ILE A 300 5.408 2.350 8.680 1.00 40.31 H new ATOM 0 HG13 ILE A 300 4.816 2.136 10.315 1.00 40.31 H new ATOM 0 HG21 ILE A 300 8.370 2.907 9.460 1.00 0.42 H new ATOM 0 HG22 ILE A 300 8.939 1.224 9.553 1.00 0.42 H new ATOM 0 HG23 ILE A 300 7.933 1.749 8.182 1.00 0.42 H new ATOM 0 HD11 ILE A 300 5.213 4.531 9.833 1.00 74.24 H new ATOM 0 HD12 ILE A 300 6.314 3.963 11.110 1.00 74.24 H new ATOM 0 HD13 ILE A 300 6.915 4.180 9.449 1.00 74.24 H new ATOM 863 N LYS A 301 8.658 -0.614 10.515 1.00 43.45 N ATOM 864 CA LYS A 301 9.856 -1.434 10.571 1.00 22.04 C ATOM 865 C LYS A 301 9.690 -2.497 11.659 1.00 1.25 C ATOM 866 O LYS A 301 10.676 -3.005 12.191 1.00 12.05 O ATOM 867 CB LYS A 301 11.098 -0.558 10.752 1.00 54.02 C ATOM 868 CG LYS A 301 11.396 -0.328 12.235 1.00 73.21 C ATOM 869 CD LYS A 301 10.156 0.186 12.970 1.00 43.00 C ATOM 870 CE LYS A 301 9.817 1.614 12.540 1.00 50.53 C ATOM 871 NZ LYS A 301 10.409 2.593 13.479 1.00 12.10 N ATOM 0 H LYS A 301 8.665 0.195 11.136 1.00 43.45 H new ATOM 0 HA LYS A 301 10.001 -1.961 9.628 1.00 22.04 H new ATOM 0 HB2 LYS A 301 11.955 -1.033 10.275 1.00 54.02 H new ATOM 0 HB3 LYS A 301 10.947 0.400 10.255 1.00 54.02 H new ATOM 0 HG2 LYS A 301 11.733 -1.259 12.691 1.00 73.21 H new ATOM 0 HG3 LYS A 301 12.209 0.391 12.339 1.00 73.21 H new ATOM 0 HD2 LYS A 301 9.310 -0.470 12.766 1.00 43.00 H new ATOM 0 HD3 LYS A 301 10.329 0.158 14.046 1.00 43.00 H new ATOM 0 HE2 LYS A 301 10.192 1.795 11.533 1.00 50.53 H new ATOM 0 HE3 LYS A 301 8.735 1.743 12.506 1.00 50.53 H new ATOM 0 HZ1 LYS A 301 10.169 3.557 13.172 1.00 12.10 H new ATOM 0 HZ2 LYS A 301 10.032 2.430 14.434 1.00 12.10 H new ATOM 0 HZ3 LYS A 301 11.443 2.481 13.491 1.00 12.10 H new ATOM 884 N GLY A 302 8.436 -2.801 11.958 1.00 74.20 N ATOM 885 CA GLY A 302 8.128 -3.794 12.973 1.00 33.20 C ATOM 886 C GLY A 302 8.174 -5.208 12.389 1.00 4.22 C ATOM 887 O GLY A 302 7.286 -6.019 12.646 1.00 40.10 O ATOM 0 H GLY A 302 7.621 -2.377 11.515 1.00 74.20 H new ATOM 0 HA2 GLY A 302 8.840 -3.713 13.794 1.00 33.20 H new ATOM 0 HA3 GLY A 302 7.139 -3.600 13.388 1.00 33.20 H new ATOM 891 N GLN A 303 9.219 -5.460 11.615 1.00 45.51 N ATOM 892 CA GLN A 303 9.394 -6.761 10.993 1.00 54.05 C ATOM 893 C GLN A 303 9.001 -7.872 11.968 1.00 73.52 C ATOM 894 O GLN A 303 8.923 -7.646 13.174 1.00 4.13 O ATOM 895 CB GLN A 303 10.831 -6.946 10.501 1.00 54.32 C ATOM 896 CG GLN A 303 11.825 -6.826 11.657 1.00 45.21 C ATOM 897 CD GLN A 303 12.931 -5.821 11.327 1.00 51.40 C ATOM 898 OE1 GLN A 303 12.751 -4.891 10.558 1.00 54.22 O ATOM 899 NE2 GLN A 303 14.082 -6.058 11.950 1.00 73.32 N ATOM 0 H GLN A 303 9.954 -4.785 11.404 1.00 45.51 H new ATOM 0 HA GLN A 303 8.738 -6.817 10.124 1.00 54.05 H new ATOM 0 HB2 GLN A 303 10.934 -7.922 10.028 1.00 54.32 H new ATOM 0 HB3 GLN A 303 11.059 -6.198 9.742 1.00 54.32 H new ATOM 0 HG2 GLN A 303 11.302 -6.513 12.560 1.00 45.21 H new ATOM 0 HG3 GLN A 303 12.265 -7.801 11.866 1.00 45.21 H new ATOM 0 HE21 GLN A 303 14.166 -6.855 12.581 1.00 73.32 H new ATOM 0 HE22 GLN A 303 14.881 -5.443 11.796 1.00 73.32 H new ATOM 908 N LYS A 304 8.763 -9.050 11.409 1.00 50.24 N ATOM 909 CA LYS A 304 8.380 -10.197 12.214 1.00 60.22 C ATOM 910 C LYS A 304 9.389 -11.327 11.996 1.00 15.02 C ATOM 911 O LYS A 304 10.007 -11.416 10.937 1.00 72.44 O ATOM 912 CB LYS A 304 6.933 -10.599 11.920 1.00 63.11 C ATOM 913 CG LYS A 304 6.450 -11.667 12.904 1.00 42.42 C ATOM 914 CD LYS A 304 5.987 -11.033 14.217 1.00 51.41 C ATOM 915 CE LYS A 304 4.927 -11.899 14.900 1.00 30.01 C ATOM 916 NZ LYS A 304 4.521 -11.300 16.191 1.00 4.12 N ATOM 0 H LYS A 304 8.828 -9.234 10.408 1.00 50.24 H new ATOM 0 HA LYS A 304 8.407 -9.945 13.274 1.00 60.22 H new ATOM 0 HB2 LYS A 304 6.288 -9.722 11.984 1.00 63.11 H new ATOM 0 HB3 LYS A 304 6.857 -10.977 10.901 1.00 63.11 H new ATOM 0 HG2 LYS A 304 5.630 -12.232 12.460 1.00 42.42 H new ATOM 0 HG3 LYS A 304 7.255 -12.375 13.102 1.00 42.42 H new ATOM 0 HD2 LYS A 304 6.840 -10.903 14.883 1.00 51.41 H new ATOM 0 HD3 LYS A 304 5.581 -10.040 14.022 1.00 51.41 H new ATOM 0 HE2 LYS A 304 4.058 -12.000 14.250 1.00 30.01 H new ATOM 0 HE3 LYS A 304 5.320 -12.902 15.065 1.00 30.01 H new ATOM 0 HZ1 LYS A 304 3.549 -11.591 16.418 1.00 4.12 H new ATOM 0 HZ2 LYS A 304 5.164 -11.624 16.942 1.00 4.12 H new ATOM 0 HZ3 LYS A 304 4.565 -10.263 16.122 1.00 4.12 H new ATOM 929 N GLU A 305 9.523 -12.161 13.016 1.00 24.35 N ATOM 930 CA GLU A 305 10.446 -13.282 12.950 1.00 3.31 C ATOM 931 C GLU A 305 9.687 -14.603 13.083 1.00 70.45 C ATOM 932 O GLU A 305 8.832 -14.747 13.955 1.00 71.41 O ATOM 933 CB GLU A 305 11.531 -13.163 14.022 1.00 10.25 C ATOM 934 CG GLU A 305 12.613 -12.167 13.600 1.00 51.21 C ATOM 935 CD GLU A 305 12.483 -10.855 14.376 1.00 43.51 C ATOM 936 OE1 GLU A 305 13.452 -10.084 14.457 1.00 34.23 O ATOM 937 OE2 GLU A 305 11.325 -10.646 14.905 1.00 25.21 O ATOM 0 H GLU A 305 9.008 -12.083 13.893 1.00 24.35 H new ATOM 0 HA GLU A 305 10.939 -13.265 11.978 1.00 3.31 H new ATOM 0 HB2 GLU A 305 11.084 -12.842 14.963 1.00 10.25 H new ATOM 0 HB3 GLU A 305 11.981 -14.140 14.199 1.00 10.25 H new ATOM 0 HG2 GLU A 305 13.598 -12.600 13.773 1.00 51.21 H new ATOM 0 HG3 GLU A 305 12.534 -11.971 12.531 1.00 51.21 H new ATOM 945 N LEU A 306 10.027 -15.535 12.204 1.00 51.11 N ATOM 946 CA LEU A 306 9.388 -16.840 12.212 1.00 51.13 C ATOM 947 C LEU A 306 10.461 -17.928 12.282 1.00 62.11 C ATOM 948 O LEU A 306 10.507 -18.815 11.431 1.00 21.54 O ATOM 949 CB LEU A 306 8.445 -16.982 11.015 1.00 64.11 C ATOM 950 CG LEU A 306 7.087 -16.290 11.145 1.00 41.21 C ATOM 951 CD1 LEU A 306 6.295 -16.387 9.840 1.00 42.25 C ATOM 952 CD2 LEU A 306 6.301 -16.844 12.335 1.00 51.12 C ATOM 0 H LEU A 306 10.737 -15.412 11.482 1.00 51.11 H new ATOM 0 HA LEU A 306 8.762 -16.952 13.097 1.00 51.13 H new ATOM 0 HB2 LEU A 306 8.948 -16.587 10.132 1.00 64.11 H new ATOM 0 HB3 LEU A 306 8.274 -18.044 10.837 1.00 64.11 H new ATOM 0 HG LEU A 306 7.260 -15.231 11.338 1.00 41.21 H new ATOM 0 HD11 LEU A 306 5.334 -15.887 9.960 1.00 42.25 H new ATOM 0 HD12 LEU A 306 6.856 -15.908 9.038 1.00 42.25 H new ATOM 0 HD13 LEU A 306 6.130 -17.435 9.591 1.00 42.25 H new ATOM 0 HD21 LEU A 306 5.340 -16.335 12.405 1.00 51.12 H new ATOM 0 HD22 LEU A 306 6.137 -17.913 12.197 1.00 51.12 H new ATOM 0 HD23 LEU A 306 6.866 -16.680 13.253 1.00 51.12 H new ATOM 964 N TRP A 307 11.298 -17.824 13.304 1.00 41.03 N ATOM 965 CA TRP A 307 12.368 -18.788 13.496 1.00 30.21 C ATOM 966 C TRP A 307 11.734 -20.131 13.864 1.00 73.14 C ATOM 967 O TRP A 307 10.787 -20.181 14.647 1.00 11.22 O ATOM 968 CB TRP A 307 13.370 -18.294 14.542 1.00 72.14 C ATOM 969 CG TRP A 307 13.629 -19.289 15.675 1.00 75.34 C ATOM 970 CD1 TRP A 307 14.687 -20.094 15.840 1.00 71.31 C ATOM 971 CD2 TRP A 307 12.765 -19.554 16.801 1.00 43.25 C ATOM 972 NE1 TRP A 307 14.570 -20.855 16.985 1.00 34.32 N ATOM 973 CE2 TRP A 307 13.364 -20.516 17.588 1.00 51.00 C ATOM 974 CE3 TRP A 307 11.520 -18.998 17.142 1.00 32.14 C ATOM 975 CZ2 TRP A 307 12.791 -21.007 18.767 1.00 12.02 C ATOM 976 CZ3 TRP A 307 10.960 -19.499 18.324 1.00 62.52 C ATOM 977 CH2 TRP A 307 11.550 -20.468 19.127 1.00 30.05 C ATOM 0 H TRP A 307 11.257 -17.087 14.008 1.00 41.03 H new ATOM 0 HA TRP A 307 12.943 -18.914 12.578 1.00 30.21 H new ATOM 0 HB2 TRP A 307 14.315 -18.069 14.047 1.00 72.14 H new ATOM 0 HB3 TRP A 307 13.003 -17.361 14.969 1.00 72.14 H new ATOM 0 HD1 TRP A 307 15.526 -20.141 15.162 1.00 71.31 H new ATOM 0 HE1 TRP A 307 15.244 -21.540 17.326 1.00 34.32 H new ATOM 0 HE3 TRP A 307 11.034 -18.244 16.540 1.00 32.14 H new ATOM 0 HZ2 TRP A 307 13.280 -21.761 19.366 1.00 12.02 H new ATOM 0 HZ3 TRP A 307 10.003 -19.105 18.633 1.00 62.52 H new ATOM 0 HH2 TRP A 307 11.053 -20.804 20.025 1.00 30.05 H new ATOM 988 N PHE A 308 12.281 -21.187 13.280 1.00 21.21 N ATOM 989 CA PHE A 308 11.781 -22.527 13.536 1.00 33.13 C ATOM 990 C PHE A 308 12.932 -23.504 13.787 1.00 14.40 C ATOM 991 O PHE A 308 14.089 -23.186 13.520 1.00 44.14 O ATOM 992 CB PHE A 308 11.018 -22.967 12.285 1.00 41.41 C ATOM 993 CG PHE A 308 10.758 -24.473 12.212 1.00 54.51 C ATOM 994 CD1 PHE A 308 9.775 -25.030 12.969 1.00 72.11 C ATOM 995 CD2 PHE A 308 11.509 -25.253 11.390 1.00 33.50 C ATOM 996 CE1 PHE A 308 9.533 -26.428 12.901 1.00 0.41 C ATOM 997 CE2 PHE A 308 11.267 -26.651 11.322 1.00 31.23 C ATOM 998 CZ PHE A 308 10.284 -27.209 12.079 1.00 2.33 C ATOM 0 H PHE A 308 13.066 -21.142 12.630 1.00 21.21 H new ATOM 0 HA PHE A 308 11.144 -22.523 14.421 1.00 33.13 H new ATOM 0 HB2 PHE A 308 10.063 -22.442 12.251 1.00 41.41 H new ATOM 0 HB3 PHE A 308 11.581 -22.663 11.403 1.00 41.41 H new ATOM 0 HD1 PHE A 308 9.179 -24.410 13.622 1.00 72.11 H new ATOM 0 HD2 PHE A 308 12.289 -24.810 10.789 1.00 33.50 H new ATOM 0 HE1 PHE A 308 8.753 -26.871 13.502 1.00 0.41 H new ATOM 0 HE2 PHE A 308 11.863 -27.271 10.669 1.00 31.23 H new ATOM 0 HZ PHE A 308 10.100 -28.272 12.027 1.00 2.33 H new ATOM 1008 N PHE A 309 12.573 -24.672 14.298 1.00 61.43 N ATOM 1009 CA PHE A 309 13.561 -25.697 14.587 1.00 24.35 C ATOM 1010 C PHE A 309 13.048 -27.082 14.188 1.00 64.40 C ATOM 1011 O PHE A 309 11.849 -27.347 14.255 1.00 61.03 O ATOM 1012 CB PHE A 309 13.802 -25.672 16.098 1.00 3.01 C ATOM 1013 CG PHE A 309 12.589 -25.221 16.914 1.00 21.32 C ATOM 1014 CD1 PHE A 309 12.135 -23.944 16.809 1.00 42.53 C ATOM 1015 CD2 PHE A 309 11.965 -26.098 17.745 1.00 34.31 C ATOM 1016 CE1 PHE A 309 11.009 -23.525 17.566 1.00 24.32 C ATOM 1017 CE2 PHE A 309 10.839 -25.680 18.503 1.00 73.04 C ATOM 1018 CZ PHE A 309 10.385 -24.402 18.397 1.00 32.31 C ATOM 0 H PHE A 309 11.612 -24.931 14.519 1.00 61.43 H new ATOM 0 HA PHE A 309 14.474 -25.502 14.025 1.00 24.35 H new ATOM 0 HB2 PHE A 309 14.097 -26.669 16.425 1.00 3.01 H new ATOM 0 HB3 PHE A 309 14.638 -25.006 16.311 1.00 3.01 H new ATOM 0 HD1 PHE A 309 12.631 -23.248 16.149 1.00 42.53 H new ATOM 0 HD2 PHE A 309 12.326 -27.113 17.829 1.00 34.31 H new ATOM 0 HE1 PHE A 309 10.648 -22.510 17.482 1.00 24.32 H new ATOM 0 HE2 PHE A 309 10.343 -26.376 19.163 1.00 73.04 H new ATOM 0 HZ PHE A 309 9.529 -24.084 18.973 1.00 32.31 H new ATOM 1028 N PRO A 310 14.007 -27.952 13.771 1.00 61.12 N ATOM 1029 CA PRO A 310 15.405 -27.558 13.722 1.00 72.22 C ATOM 1030 C PRO A 310 15.673 -26.637 12.530 1.00 4.34 C ATOM 1031 O PRO A 310 16.214 -25.544 12.696 1.00 73.15 O ATOM 1032 CB PRO A 310 16.179 -28.864 13.649 1.00 22.12 C ATOM 1033 CG PRO A 310 15.181 -29.916 13.193 1.00 42.35 C ATOM 1034 CD PRO A 310 13.787 -29.328 13.336 1.00 33.43 C ATOM 0 HA PRO A 310 15.710 -26.978 14.593 1.00 72.22 H new ATOM 0 HB2 PRO A 310 17.011 -28.786 12.949 1.00 22.12 H new ATOM 0 HB3 PRO A 310 16.602 -29.122 14.620 1.00 22.12 H new ATOM 0 HG2 PRO A 310 15.371 -30.200 12.158 1.00 42.35 H new ATOM 0 HG3 PRO A 310 15.278 -30.820 13.794 1.00 42.35 H new ATOM 0 HD2 PRO A 310 13.244 -29.363 12.391 1.00 33.43 H new ATOM 0 HD3 PRO A 310 13.196 -29.884 14.064 1.00 33.43 H new ATOM 1042 N SER A 311 15.284 -27.111 11.356 1.00 35.24 N ATOM 1043 CA SER A 311 15.475 -26.343 10.138 1.00 63.53 C ATOM 1044 C SER A 311 14.910 -27.112 8.941 1.00 5.41 C ATOM 1045 O SER A 311 14.684 -28.318 9.024 1.00 15.40 O ATOM 1046 CB SER A 311 16.955 -26.026 9.914 1.00 1.10 C ATOM 1047 OG SER A 311 17.771 -27.191 10.004 1.00 13.03 O ATOM 0 H SER A 311 14.837 -28.018 11.222 1.00 35.24 H new ATOM 0 HA SER A 311 14.940 -25.399 10.241 1.00 63.53 H new ATOM 0 HB2 SER A 311 17.083 -25.569 8.933 1.00 1.10 H new ATOM 0 HB3 SER A 311 17.285 -25.295 10.652 1.00 1.10 H new ATOM 0 HG SER A 311 18.708 -26.947 9.853 1.00 13.03 H new ATOM 1053 N LEU A 312 14.700 -26.381 7.856 1.00 72.21 N ATOM 1054 CA LEU A 312 14.166 -26.979 6.644 1.00 52.42 C ATOM 1055 C LEU A 312 15.061 -26.607 5.460 1.00 10.10 C ATOM 1056 O LEU A 312 15.806 -25.631 5.523 1.00 5.44 O ATOM 1057 CB LEU A 312 12.700 -26.585 6.453 1.00 14.04 C ATOM 1058 CG LEU A 312 11.702 -27.227 7.419 1.00 32.33 C ATOM 1059 CD1 LEU A 312 11.100 -26.182 8.361 1.00 22.51 C ATOM 1060 CD2 LEU A 312 10.624 -28.002 6.659 1.00 74.01 C ATOM 0 H LEU A 312 14.890 -25.381 7.791 1.00 72.21 H new ATOM 0 HA LEU A 312 14.173 -28.066 6.721 1.00 52.42 H new ATOM 0 HB2 LEU A 312 12.620 -25.502 6.546 1.00 14.04 H new ATOM 0 HB3 LEU A 312 12.405 -26.840 5.435 1.00 14.04 H new ATOM 0 HG LEU A 312 12.240 -27.946 8.037 1.00 32.33 H new ATOM 0 HD11 LEU A 312 10.394 -26.665 9.037 1.00 22.51 H new ATOM 0 HD12 LEU A 312 11.895 -25.714 8.941 1.00 22.51 H new ATOM 0 HD13 LEU A 312 10.581 -25.422 7.777 1.00 22.51 H new ATOM 0 HD21 LEU A 312 9.928 -28.448 7.369 1.00 74.01 H new ATOM 0 HD22 LEU A 312 10.084 -27.322 6.000 1.00 74.01 H new ATOM 0 HD23 LEU A 312 11.091 -28.788 6.066 1.00 74.01 H new ATOM 1072 N PRO A 313 14.955 -27.426 4.380 1.00 61.32 N ATOM 1073 CA PRO A 313 15.746 -27.193 3.183 1.00 21.54 C ATOM 1074 C PRO A 313 15.196 -26.011 2.384 1.00 53.23 C ATOM 1075 O PRO A 313 13.985 -25.797 2.338 1.00 23.14 O ATOM 1076 CB PRO A 313 15.695 -28.505 2.416 1.00 15.34 C ATOM 1077 CG PRO A 313 14.504 -29.267 2.974 1.00 20.53 C ATOM 1078 CD PRO A 313 14.083 -28.592 4.269 1.00 12.21 C ATOM 0 HA PRO A 313 16.777 -26.918 3.407 1.00 21.54 H new ATOM 0 HB2 PRO A 313 15.579 -28.328 1.347 1.00 15.34 H new ATOM 0 HB3 PRO A 313 16.617 -29.071 2.548 1.00 15.34 H new ATOM 0 HG2 PRO A 313 13.682 -29.267 2.259 1.00 20.53 H new ATOM 0 HG3 PRO A 313 14.768 -30.309 3.155 1.00 20.53 H new ATOM 0 HD2 PRO A 313 13.033 -28.300 4.240 1.00 12.21 H new ATOM 0 HD3 PRO A 313 14.205 -29.260 5.122 1.00 12.21 H new ATOM 1086 N THR A 314 16.111 -25.274 1.773 1.00 44.43 N ATOM 1087 CA THR A 314 15.733 -24.118 0.977 1.00 71.21 C ATOM 1088 C THR A 314 16.318 -24.227 -0.433 1.00 1.45 C ATOM 1089 O THR A 314 17.271 -24.971 -0.658 1.00 33.45 O ATOM 1090 CB THR A 314 16.181 -22.861 1.726 1.00 74.33 C ATOM 1091 OG1 THR A 314 17.366 -23.265 2.405 1.00 65.55 O ATOM 1092 CG2 THR A 314 15.219 -22.477 2.852 1.00 20.11 C ATOM 0 H THR A 314 17.114 -25.455 1.813 1.00 44.43 H new ATOM 0 HA THR A 314 14.652 -24.066 0.843 1.00 71.21 H new ATOM 0 HB THR A 314 16.268 -22.032 1.024 1.00 74.33 H new ATOM 0 HG1 THR A 314 17.725 -22.509 2.915 1.00 65.55 H new ATOM 0 HG21 THR A 314 15.583 -21.579 3.351 1.00 20.11 H new ATOM 0 HG22 THR A 314 14.230 -22.285 2.436 1.00 20.11 H new ATOM 0 HG23 THR A 314 15.158 -23.293 3.572 1.00 20.11 H new ATOM 1100 N PRO A 315 15.708 -23.452 -1.369 1.00 75.53 N ATOM 1101 CA PRO A 315 14.585 -22.599 -1.019 1.00 4.41 C ATOM 1102 C PRO A 315 13.311 -23.422 -0.819 1.00 3.12 C ATOM 1103 O PRO A 315 13.283 -24.613 -1.126 1.00 53.43 O ATOM 1104 CB PRO A 315 14.476 -21.603 -2.163 1.00 21.45 C ATOM 1105 CG PRO A 315 15.236 -22.220 -3.326 1.00 30.03 C ATOM 1106 CD PRO A 315 16.068 -23.370 -2.782 1.00 10.23 C ATOM 0 HA PRO A 315 14.730 -22.082 -0.070 1.00 4.41 H new ATOM 0 HB2 PRO A 315 13.434 -21.425 -2.428 1.00 21.45 H new ATOM 0 HB3 PRO A 315 14.903 -20.640 -1.884 1.00 21.45 H new ATOM 0 HG2 PRO A 315 14.543 -22.577 -4.088 1.00 30.03 H new ATOM 0 HG3 PRO A 315 15.876 -21.477 -3.801 1.00 30.03 H new ATOM 0 HD2 PRO A 315 15.844 -24.301 -3.302 1.00 10.23 H new ATOM 0 HD3 PRO A 315 17.134 -23.182 -2.909 1.00 10.23 H new ATOM 1114 N LEU A 316 12.289 -22.755 -0.305 1.00 15.30 N ATOM 1115 CA LEU A 316 11.015 -23.410 -0.060 1.00 53.24 C ATOM 1116 C LEU A 316 10.156 -23.334 -1.325 1.00 24.52 C ATOM 1117 O LEU A 316 9.119 -22.674 -1.337 1.00 1.42 O ATOM 1118 CB LEU A 316 10.338 -22.820 1.178 1.00 11.43 C ATOM 1119 CG LEU A 316 11.025 -23.101 2.516 1.00 34.52 C ATOM 1120 CD1 LEU A 316 12.070 -22.030 2.833 1.00 54.34 C ATOM 1121 CD2 LEU A 316 9.997 -23.249 3.640 1.00 73.12 C ATOM 0 H LEU A 316 12.317 -21.767 -0.051 1.00 15.30 H new ATOM 0 HA LEU A 316 11.167 -24.467 0.161 1.00 53.24 H new ATOM 0 HB2 LEU A 316 10.266 -21.740 1.049 1.00 11.43 H new ATOM 0 HB3 LEU A 316 9.319 -23.203 1.228 1.00 11.43 H new ATOM 0 HG LEU A 316 11.553 -24.051 2.435 1.00 34.52 H new ATOM 0 HD11 LEU A 316 12.543 -22.255 3.789 1.00 54.34 H new ATOM 0 HD12 LEU A 316 12.827 -22.017 2.049 1.00 54.34 H new ATOM 0 HD13 LEU A 316 11.586 -21.055 2.887 1.00 54.34 H new ATOM 0 HD21 LEU A 316 10.512 -23.448 4.580 1.00 73.12 H new ATOM 0 HD22 LEU A 316 9.421 -22.328 3.730 1.00 73.12 H new ATOM 0 HD23 LEU A 316 9.325 -24.076 3.412 1.00 73.12 H new ATOM 1133 N SER A 317 10.621 -24.021 -2.358 1.00 52.04 N ATOM 1134 CA SER A 317 9.909 -24.040 -3.625 1.00 33.31 C ATOM 1135 C SER A 317 8.775 -25.066 -3.572 1.00 33.00 C ATOM 1136 O SER A 317 8.998 -26.227 -3.232 1.00 42.21 O ATOM 1137 CB SER A 317 10.856 -24.355 -4.784 1.00 73.35 C ATOM 1138 OG SER A 317 10.948 -25.755 -5.033 1.00 22.51 O ATOM 0 H SER A 317 11.482 -24.568 -2.344 1.00 52.04 H new ATOM 0 HA SER A 317 9.487 -23.050 -3.795 1.00 33.31 H new ATOM 0 HB2 SER A 317 10.508 -23.849 -5.684 1.00 73.35 H new ATOM 0 HB3 SER A 317 11.847 -23.961 -4.560 1.00 73.35 H new ATOM 0 HG SER A 317 10.531 -26.247 -4.295 1.00 22.51 H new ATOM 1144 N ASN A 318 7.582 -24.600 -3.913 1.00 62.43 N ATOM 1145 CA ASN A 318 6.413 -25.463 -3.909 1.00 13.30 C ATOM 1146 C ASN A 318 5.947 -25.675 -2.467 1.00 74.43 C ATOM 1147 O ASN A 318 5.251 -26.646 -2.173 1.00 33.10 O ATOM 1148 CB ASN A 318 6.736 -26.833 -4.508 1.00 44.32 C ATOM 1149 CG ASN A 318 5.656 -27.266 -5.502 1.00 4.25 C ATOM 1150 OD1 ASN A 318 5.871 -27.333 -6.701 1.00 35.43 O ATOM 1151 ND2 ASN A 318 4.487 -27.554 -4.938 1.00 20.35 N ATOM 0 H ASN A 318 7.400 -23.636 -4.194 1.00 62.43 H new ATOM 0 HA ASN A 318 5.638 -24.983 -4.506 1.00 13.30 H new ATOM 0 HB2 ASN A 318 7.703 -26.796 -5.010 1.00 44.32 H new ATOM 0 HB3 ASN A 318 6.819 -27.572 -3.711 1.00 44.32 H new ATOM 0 HD21 ASN A 318 3.702 -27.852 -5.516 1.00 20.35 H new ATOM 0 HD22 ASN A 318 4.376 -27.477 -3.927 1.00 20.35 H new ATOM 1158 N TYR A 319 6.349 -24.752 -1.607 1.00 10.13 N ATOM 1159 CA TYR A 319 5.981 -24.826 -0.203 1.00 22.21 C ATOM 1160 C TYR A 319 4.874 -23.824 0.128 1.00 53.55 C ATOM 1161 O TYR A 319 4.942 -22.663 -0.275 1.00 32.13 O ATOM 1162 CB TYR A 319 7.240 -24.455 0.583 1.00 42.40 C ATOM 1163 CG TYR A 319 8.227 -25.610 0.760 1.00 61.33 C ATOM 1164 CD1 TYR A 319 8.504 -26.449 -0.300 1.00 61.44 C ATOM 1165 CD2 TYR A 319 8.840 -25.814 1.979 1.00 5.33 C ATOM 1166 CE1 TYR A 319 9.433 -27.537 -0.134 1.00 70.11 C ATOM 1167 CE2 TYR A 319 9.769 -26.901 2.146 1.00 63.44 C ATOM 1168 CZ TYR A 319 10.020 -27.709 1.081 1.00 73.43 C ATOM 1169 OH TYR A 319 10.897 -28.737 1.238 1.00 50.32 O ATOM 0 H TYR A 319 6.926 -23.948 -1.855 1.00 10.13 H new ATOM 0 HA TYR A 319 5.611 -25.821 0.044 1.00 22.21 H new ATOM 0 HB2 TYR A 319 7.745 -23.634 0.074 1.00 42.40 H new ATOM 0 HB3 TYR A 319 6.947 -24.088 1.566 1.00 42.40 H new ATOM 0 HD1 TYR A 319 8.024 -26.290 -1.254 1.00 61.44 H new ATOM 0 HD2 TYR A 319 8.623 -25.158 2.809 1.00 5.33 H new ATOM 0 HE1 TYR A 319 9.658 -28.201 -0.955 1.00 70.11 H new ATOM 0 HE2 TYR A 319 10.255 -27.071 3.095 1.00 63.44 H new ATOM 0 HH TYR A 319 10.403 -29.564 1.419 1.00 50.32 H new ATOM 1179 N THR A 320 3.879 -24.308 0.857 1.00 43.11 N ATOM 1180 CA THR A 320 2.759 -23.469 1.246 1.00 52.40 C ATOM 1181 C THR A 320 3.260 -22.175 1.891 1.00 21.11 C ATOM 1182 O THR A 320 2.989 -21.083 1.393 1.00 23.43 O ATOM 1183 CB THR A 320 1.848 -24.290 2.160 1.00 32.22 C ATOM 1184 OG1 THR A 320 1.409 -25.367 1.336 1.00 11.24 O ATOM 1185 CG2 THR A 320 0.559 -23.549 2.522 1.00 3.15 C ATOM 0 H THR A 320 3.826 -25.271 1.188 1.00 43.11 H new ATOM 0 HA THR A 320 2.178 -23.158 0.378 1.00 52.40 H new ATOM 0 HB THR A 320 2.387 -24.548 3.072 1.00 32.22 H new ATOM 0 HG1 THR A 320 0.814 -25.951 1.851 1.00 11.24 H new ATOM 0 HG21 THR A 320 -0.051 -24.176 3.172 1.00 3.15 H new ATOM 0 HG22 THR A 320 0.805 -22.622 3.040 1.00 3.15 H new ATOM 0 HG23 THR A 320 0.003 -23.320 1.613 1.00 3.15 H new ATOM 1193 N MET A 321 3.982 -22.341 2.989 1.00 3.45 N ATOM 1194 CA MET A 321 4.524 -21.200 3.708 1.00 50.30 C ATOM 1195 C MET A 321 3.587 -19.994 3.609 1.00 33.35 C ATOM 1196 O MET A 321 4.041 -18.862 3.453 1.00 15.21 O ATOM 1197 CB MET A 321 5.891 -20.833 3.127 1.00 11.50 C ATOM 1198 CG MET A 321 6.848 -20.370 4.228 1.00 61.14 C ATOM 1199 SD MET A 321 7.979 -19.150 3.580 1.00 21.42 S ATOM 1200 CE MET A 321 9.215 -20.222 2.865 1.00 32.04 C ATOM 0 H MET A 321 4.205 -23.248 3.399 1.00 3.45 H new ATOM 0 HA MET A 321 4.627 -21.472 4.759 1.00 50.30 H new ATOM 0 HB2 MET A 321 6.314 -21.695 2.611 1.00 11.50 H new ATOM 0 HB3 MET A 321 5.775 -20.043 2.385 1.00 11.50 H new ATOM 0 HG2 MET A 321 6.283 -19.949 5.059 1.00 61.14 H new ATOM 0 HG3 MET A 321 7.404 -21.222 4.620 1.00 61.14 H new ATOM 0 HE1 MET A 321 9.926 -19.626 2.292 1.00 32.04 H new ATOM 0 HE2 MET A 321 9.742 -20.751 3.659 1.00 32.04 H new ATOM 0 HE3 MET A 321 8.733 -20.944 2.206 1.00 32.04 H new ATOM 1210 N LYS A 322 2.296 -20.279 3.705 1.00 24.10 N ATOM 1211 CA LYS A 322 1.291 -19.232 3.629 1.00 63.53 C ATOM 1212 C LYS A 322 1.315 -18.414 4.921 1.00 55.20 C ATOM 1213 O LYS A 322 2.177 -18.618 5.774 1.00 71.00 O ATOM 1214 CB LYS A 322 -0.080 -19.829 3.303 1.00 4.20 C ATOM 1215 CG LYS A 322 -0.097 -20.427 1.895 1.00 41.33 C ATOM 1216 CD LYS A 322 -1.495 -20.929 1.530 1.00 71.25 C ATOM 1217 CE LYS A 322 -1.468 -21.727 0.224 1.00 5.32 C ATOM 1218 NZ LYS A 322 -2.610 -21.350 -0.638 1.00 10.52 N ATOM 0 H LYS A 322 1.923 -21.220 3.835 1.00 24.10 H new ATOM 0 HA LYS A 322 1.516 -18.545 2.813 1.00 63.53 H new ATOM 0 HB2 LYS A 322 -0.328 -20.600 4.032 1.00 4.20 H new ATOM 0 HB3 LYS A 322 -0.845 -19.057 3.383 1.00 4.20 H new ATOM 0 HG2 LYS A 322 0.224 -19.676 1.173 1.00 41.33 H new ATOM 0 HG3 LYS A 322 0.616 -21.250 1.837 1.00 41.33 H new ATOM 0 HD2 LYS A 322 -1.882 -21.554 2.334 1.00 71.25 H new ATOM 0 HD3 LYS A 322 -2.174 -20.083 1.429 1.00 71.25 H new ATOM 0 HE2 LYS A 322 -0.531 -21.543 -0.302 1.00 5.32 H new ATOM 0 HE3 LYS A 322 -1.506 -22.794 0.442 1.00 5.32 H new ATOM 0 HZ1 LYS A 322 -2.557 -21.876 -1.534 1.00 10.52 H new ATOM 0 HZ2 LYS A 322 -3.501 -21.580 -0.154 1.00 10.52 H new ATOM 0 HZ3 LYS A 322 -2.575 -20.329 -0.833 1.00 10.52 H new ATOM 1231 N VAL A 323 0.357 -17.504 5.025 1.00 72.31 N ATOM 1232 CA VAL A 323 0.256 -16.654 6.199 1.00 44.21 C ATOM 1233 C VAL A 323 -1.219 -16.416 6.526 1.00 30.15 C ATOM 1234 O VAL A 323 -1.968 -15.905 5.696 1.00 55.21 O ATOM 1235 CB VAL A 323 1.035 -15.356 5.973 1.00 23.42 C ATOM 1236 CG1 VAL A 323 1.144 -14.550 7.269 1.00 41.12 C ATOM 1237 CG2 VAL A 323 2.419 -15.643 5.388 1.00 45.45 C ATOM 0 H VAL A 323 -0.356 -17.337 4.315 1.00 72.31 H new ATOM 0 HA VAL A 323 0.706 -17.142 7.064 1.00 44.21 H new ATOM 0 HB VAL A 323 0.483 -14.755 5.250 1.00 23.42 H new ATOM 0 HG11 VAL A 323 1.702 -13.633 7.081 1.00 41.12 H new ATOM 0 HG12 VAL A 323 0.145 -14.300 7.627 1.00 41.12 H new ATOM 0 HG13 VAL A 323 1.663 -15.142 8.023 1.00 41.12 H new ATOM 0 HG21 VAL A 323 2.952 -14.704 5.237 1.00 45.45 H new ATOM 0 HG22 VAL A 323 2.982 -16.273 6.077 1.00 45.45 H new ATOM 0 HG23 VAL A 323 2.311 -16.157 4.433 1.00 45.45 H new ATOM 1247 N VAL A 324 -1.592 -16.799 7.739 1.00 50.41 N ATOM 1248 CA VAL A 324 -2.964 -16.633 8.187 1.00 75.44 C ATOM 1249 C VAL A 324 -3.018 -15.548 9.263 1.00 10.32 C ATOM 1250 O VAL A 324 -1.981 -15.083 9.733 1.00 3.41 O ATOM 1251 CB VAL A 324 -3.525 -17.975 8.662 1.00 22.34 C ATOM 1252 CG1 VAL A 324 -3.644 -18.963 7.500 1.00 53.31 C ATOM 1253 CG2 VAL A 324 -2.670 -18.557 9.791 1.00 75.15 C ATOM 0 H VAL A 324 -0.968 -17.224 8.425 1.00 50.41 H new ATOM 0 HA VAL A 324 -3.597 -16.304 7.363 1.00 75.44 H new ATOM 0 HB VAL A 324 -4.526 -17.799 9.055 1.00 22.34 H new ATOM 0 HG11 VAL A 324 -4.045 -19.908 7.866 1.00 53.31 H new ATOM 0 HG12 VAL A 324 -4.312 -18.554 6.742 1.00 53.31 H new ATOM 0 HG13 VAL A 324 -2.660 -19.131 7.063 1.00 53.31 H new ATOM 0 HG21 VAL A 324 -3.090 -19.511 10.111 1.00 75.15 H new ATOM 0 HG22 VAL A 324 -1.652 -18.710 9.434 1.00 75.15 H new ATOM 0 HG23 VAL A 324 -2.659 -17.865 10.633 1.00 75.15 H new ATOM 1263 N ASN A 325 -4.238 -15.175 9.623 1.00 64.23 N ATOM 1264 CA ASN A 325 -4.440 -14.153 10.635 1.00 11.12 C ATOM 1265 C ASN A 325 -4.988 -14.803 11.908 1.00 44.45 C ATOM 1266 O ASN A 325 -4.779 -15.992 12.140 1.00 31.34 O ATOM 1267 CB ASN A 325 -5.452 -13.106 10.166 1.00 50.20 C ATOM 1268 CG ASN A 325 -4.967 -11.691 10.489 1.00 62.14 C ATOM 1269 OD1 ASN A 325 -5.221 -10.740 9.768 1.00 72.22 O ATOM 1270 ND2 ASN A 325 -4.256 -11.606 11.609 1.00 3.52 N ATOM 0 H ASN A 325 -5.096 -15.563 9.231 1.00 64.23 H new ATOM 0 HA ASN A 325 -3.481 -13.670 10.822 1.00 11.12 H new ATOM 0 HB2 ASN A 325 -5.610 -13.204 9.092 1.00 50.20 H new ATOM 0 HB3 ASN A 325 -6.414 -13.283 10.647 1.00 50.20 H new ATOM 0 HD21 ASN A 325 -3.886 -10.705 11.911 1.00 3.52 H new ATOM 0 HD22 ASN A 325 -4.080 -12.442 12.166 1.00 3.52 H new ATOM 1277 N GLN A 326 -5.677 -13.993 12.698 1.00 53.05 N ATOM 1278 CA GLN A 326 -6.256 -14.474 13.940 1.00 34.23 C ATOM 1279 C GLN A 326 -7.529 -15.274 13.658 1.00 74.41 C ATOM 1280 O GLN A 326 -8.133 -15.832 14.574 1.00 45.33 O ATOM 1281 CB GLN A 326 -6.538 -13.315 14.899 1.00 75.44 C ATOM 1282 CG GLN A 326 -7.782 -12.536 14.465 1.00 5.42 C ATOM 1283 CD GLN A 326 -8.168 -11.492 15.515 1.00 32.45 C ATOM 1284 OE1 GLN A 326 -8.118 -10.295 15.286 1.00 33.13 O ATOM 1285 NE2 GLN A 326 -8.555 -12.012 16.677 1.00 54.20 N ATOM 0 H GLN A 326 -5.847 -13.007 12.502 1.00 53.05 H new ATOM 0 HA GLN A 326 -5.535 -15.134 14.422 1.00 34.23 H new ATOM 0 HB2 GLN A 326 -6.679 -13.700 15.909 1.00 75.44 H new ATOM 0 HB3 GLN A 326 -5.678 -12.646 14.930 1.00 75.44 H new ATOM 0 HG2 GLN A 326 -7.593 -12.045 13.510 1.00 5.42 H new ATOM 0 HG3 GLN A 326 -8.612 -13.226 14.310 1.00 5.42 H new ATOM 0 HE21 GLN A 326 -8.574 -13.024 16.802 1.00 54.20 H new ATOM 0 HE22 GLN A 326 -8.833 -11.398 17.443 1.00 54.20 H new ATOM 1294 N ASP A 327 -7.901 -15.306 12.386 1.00 5.14 N ATOM 1295 CA ASP A 327 -9.091 -16.029 11.972 1.00 40.21 C ATOM 1296 C ASP A 327 -8.678 -17.325 11.273 1.00 65.25 C ATOM 1297 O ASP A 327 -9.514 -18.016 10.693 1.00 50.02 O ATOM 1298 CB ASP A 327 -9.921 -15.204 10.986 1.00 0.14 C ATOM 1299 CG ASP A 327 -10.772 -14.102 11.621 1.00 21.13 C ATOM 1300 OD1 ASP A 327 -11.713 -14.379 12.380 1.00 62.11 O ATOM 1301 OD2 ASP A 327 -10.431 -12.899 11.305 1.00 63.05 O ATOM 0 H ASP A 327 -7.399 -14.843 11.629 1.00 5.14 H new ATOM 0 HA ASP A 327 -9.687 -16.235 12.861 1.00 40.21 H new ATOM 0 HB2 ASP A 327 -9.248 -14.749 10.259 1.00 0.14 H new ATOM 0 HB3 ASP A 327 -10.578 -15.877 10.435 1.00 0.14 H new ATOM 1307 N GLY A 328 -7.387 -17.616 11.350 1.00 33.41 N ATOM 1308 CA GLY A 328 -6.853 -18.818 10.732 1.00 43.33 C ATOM 1309 C GLY A 328 -7.129 -18.829 9.227 1.00 63.12 C ATOM 1310 O GLY A 328 -7.004 -19.866 8.577 1.00 44.10 O ATOM 0 H GLY A 328 -6.696 -17.040 11.831 1.00 33.41 H new ATOM 0 HA2 GLY A 328 -5.779 -18.876 10.909 1.00 43.33 H new ATOM 0 HA3 GLY A 328 -7.300 -19.698 11.194 1.00 43.33 H new ATOM 1314 N GLU A 329 -7.499 -17.664 8.717 1.00 41.34 N ATOM 1315 CA GLU A 329 -7.794 -17.526 7.300 1.00 24.54 C ATOM 1316 C GLU A 329 -6.564 -17.011 6.550 1.00 51.41 C ATOM 1317 O GLU A 329 -6.106 -15.895 6.794 1.00 31.51 O ATOM 1318 CB GLU A 329 -8.997 -16.609 7.077 1.00 11.32 C ATOM 1319 CG GLU A 329 -8.574 -15.138 7.081 1.00 23.44 C ATOM 1320 CD GLU A 329 -9.782 -14.221 7.279 1.00 42.51 C ATOM 1321 OE1 GLU A 329 -9.754 -13.338 8.150 1.00 71.04 O ATOM 1322 OE2 GLU A 329 -10.775 -14.449 6.488 1.00 40.41 O ATOM 0 H GLU A 329 -7.601 -16.806 9.259 1.00 41.34 H new ATOM 0 HA GLU A 329 -8.051 -18.509 6.905 1.00 24.54 H new ATOM 0 HB2 GLU A 329 -9.472 -16.852 6.127 1.00 11.32 H new ATOM 0 HB3 GLU A 329 -9.739 -16.780 7.857 1.00 11.32 H new ATOM 0 HG2 GLU A 329 -7.849 -14.967 7.876 1.00 23.44 H new ATOM 0 HG3 GLU A 329 -8.079 -14.896 6.141 1.00 23.44 H new ATOM 1330 N THR A 330 -6.065 -17.847 5.652 1.00 43.22 N ATOM 1331 CA THR A 330 -4.897 -17.489 4.864 1.00 32.21 C ATOM 1332 C THR A 330 -5.090 -16.116 4.219 1.00 43.44 C ATOM 1333 O THR A 330 -5.705 -16.004 3.160 1.00 74.14 O ATOM 1334 CB THR A 330 -4.650 -18.608 3.850 1.00 13.10 C ATOM 1335 OG1 THR A 330 -3.961 -19.607 4.596 1.00 4.12 O ATOM 1336 CG2 THR A 330 -3.655 -18.202 2.761 1.00 23.23 C ATOM 0 H THR A 330 -6.448 -18.771 5.452 1.00 43.22 H new ATOM 0 HA THR A 330 -4.010 -17.397 5.490 1.00 32.21 H new ATOM 0 HB THR A 330 -5.595 -18.895 3.389 1.00 13.10 H new ATOM 0 HG1 THR A 330 -3.763 -20.371 4.015 1.00 4.12 H new ATOM 0 HG21 THR A 330 -3.516 -19.032 2.068 1.00 23.23 H new ATOM 0 HG22 THR A 330 -4.040 -17.338 2.220 1.00 23.23 H new ATOM 0 HG23 THR A 330 -2.699 -17.947 3.218 1.00 23.23 H new ATOM 1344 N ILE A 331 -4.552 -15.104 4.884 1.00 65.01 N ATOM 1345 CA ILE A 331 -4.656 -13.742 4.388 1.00 34.13 C ATOM 1346 C ILE A 331 -3.854 -13.613 3.092 1.00 11.50 C ATOM 1347 O ILE A 331 -4.262 -12.904 2.173 1.00 15.02 O ATOM 1348 CB ILE A 331 -4.241 -12.744 5.471 1.00 24.42 C ATOM 1349 CG1 ILE A 331 -2.717 -12.646 5.570 1.00 41.52 C ATOM 1350 CG2 ILE A 331 -4.880 -13.096 6.816 1.00 73.52 C ATOM 1351 CD1 ILE A 331 -2.298 -11.850 6.808 1.00 60.12 C ATOM 0 H ILE A 331 -4.043 -15.200 5.762 1.00 65.01 H new ATOM 0 HA ILE A 331 -5.692 -13.502 4.147 1.00 34.13 H new ATOM 0 HB ILE A 331 -4.611 -11.759 5.187 1.00 24.42 H new ATOM 0 HG12 ILE A 331 -2.287 -13.647 5.614 1.00 41.52 H new ATOM 0 HG13 ILE A 331 -2.321 -12.168 4.674 1.00 41.52 H new ATOM 0 HG21 ILE A 331 -4.568 -12.371 7.568 1.00 73.52 H new ATOM 0 HG22 ILE A 331 -5.966 -13.075 6.720 1.00 73.52 H new ATOM 0 HG23 ILE A 331 -4.562 -14.093 7.120 1.00 73.52 H new ATOM 0 HD11 ILE A 331 -1.210 -11.795 6.855 1.00 60.12 H new ATOM 0 HD12 ILE A 331 -2.710 -10.842 6.749 1.00 60.12 H new ATOM 0 HD13 ILE A 331 -2.675 -12.344 7.703 1.00 60.12 H new ATOM 1363 N LEU A 332 -2.727 -14.308 3.059 1.00 1.03 N ATOM 1364 CA LEU A 332 -1.864 -14.280 1.891 1.00 44.42 C ATOM 1365 C LEU A 332 -1.178 -15.638 1.736 1.00 62.44 C ATOM 1366 O LEU A 332 -1.263 -16.486 2.623 1.00 3.43 O ATOM 1367 CB LEU A 332 -0.888 -13.104 1.974 1.00 22.10 C ATOM 1368 CG LEU A 332 -1.413 -11.759 1.467 1.00 64.54 C ATOM 1369 CD1 LEU A 332 -0.301 -10.708 1.449 1.00 70.52 C ATOM 1370 CD2 LEU A 332 -2.079 -11.912 0.098 1.00 70.21 C ATOM 0 H LEU A 332 -2.391 -14.894 3.823 1.00 1.03 H new ATOM 0 HA LEU A 332 -2.451 -14.114 0.988 1.00 44.42 H new ATOM 0 HB2 LEU A 332 -0.583 -12.984 3.013 1.00 22.10 H new ATOM 0 HB3 LEU A 332 0.007 -13.360 1.406 1.00 22.10 H new ATOM 0 HG LEU A 332 -2.177 -11.407 2.160 1.00 64.54 H new ATOM 0 HD11 LEU A 332 -0.701 -9.762 1.085 1.00 70.52 H new ATOM 0 HD12 LEU A 332 0.088 -10.573 2.458 1.00 70.52 H new ATOM 0 HD13 LEU A 332 0.502 -11.040 0.791 1.00 70.52 H new ATOM 0 HD21 LEU A 332 -2.443 -10.942 -0.240 1.00 70.21 H new ATOM 0 HD22 LEU A 332 -1.353 -12.297 -0.619 1.00 70.21 H new ATOM 0 HD23 LEU A 332 -2.915 -12.607 0.176 1.00 70.21 H new ATOM 1382 N VAL A 333 -0.514 -15.804 0.601 1.00 25.13 N ATOM 1383 CA VAL A 333 0.187 -17.046 0.318 1.00 14.54 C ATOM 1384 C VAL A 333 1.434 -16.744 -0.515 1.00 31.22 C ATOM 1385 O VAL A 333 1.333 -16.218 -1.622 1.00 11.10 O ATOM 1386 CB VAL A 333 -0.760 -18.037 -0.360 1.00 74.42 C ATOM 1387 CG1 VAL A 333 -1.819 -17.306 -1.187 1.00 75.04 C ATOM 1388 CG2 VAL A 333 0.016 -19.035 -1.222 1.00 42.10 C ATOM 0 H VAL A 333 -0.447 -15.099 -0.133 1.00 25.13 H new ATOM 0 HA VAL A 333 0.521 -17.517 1.243 1.00 14.54 H new ATOM 0 HB VAL A 333 -1.273 -18.597 0.421 1.00 74.42 H new ATOM 0 HG11 VAL A 333 -2.479 -18.034 -1.658 1.00 75.04 H new ATOM 0 HG12 VAL A 333 -2.403 -16.655 -0.537 1.00 75.04 H new ATOM 0 HG13 VAL A 333 -1.331 -16.708 -1.956 1.00 75.04 H new ATOM 0 HG21 VAL A 333 -0.681 -19.728 -1.693 1.00 42.10 H new ATOM 0 HG22 VAL A 333 0.569 -18.498 -1.992 1.00 42.10 H new ATOM 0 HG23 VAL A 333 0.714 -19.591 -0.596 1.00 42.10 H new ATOM 1398 N GLY A 334 2.581 -17.091 0.050 1.00 44.25 N ATOM 1399 CA GLY A 334 3.847 -16.864 -0.627 1.00 51.05 C ATOM 1400 C GLY A 334 4.016 -17.821 -1.810 1.00 14.53 C ATOM 1401 O GLY A 334 3.924 -19.036 -1.647 1.00 21.30 O ATOM 0 H GLY A 334 2.660 -17.527 0.968 1.00 44.25 H new ATOM 0 HA2 GLY A 334 3.896 -15.833 -0.979 1.00 51.05 H new ATOM 0 HA3 GLY A 334 4.669 -17.000 0.076 1.00 51.05 H new ATOM 1405 N LYS A 335 4.259 -17.235 -2.973 1.00 72.32 N ATOM 1406 CA LYS A 335 4.441 -18.020 -4.182 1.00 60.42 C ATOM 1407 C LYS A 335 5.441 -19.146 -3.909 1.00 11.35 C ATOM 1408 O LYS A 335 5.403 -20.187 -4.562 1.00 45.24 O ATOM 1409 CB LYS A 335 4.836 -17.118 -5.353 1.00 1.23 C ATOM 1410 CG LYS A 335 6.357 -16.978 -5.448 1.00 72.24 C ATOM 1411 CD LYS A 335 6.887 -16.017 -4.383 1.00 3.30 C ATOM 1412 CE LYS A 335 8.394 -15.804 -4.538 1.00 25.32 C ATOM 1413 NZ LYS A 335 8.786 -15.887 -5.963 1.00 11.02 N ATOM 0 H LYS A 335 4.334 -16.226 -3.104 1.00 72.32 H new ATOM 0 HA LYS A 335 3.502 -18.490 -4.475 1.00 60.42 H new ATOM 0 HB2 LYS A 335 4.446 -17.532 -6.283 1.00 1.23 H new ATOM 0 HB3 LYS A 335 4.384 -16.134 -5.228 1.00 1.23 H new ATOM 0 HG2 LYS A 335 6.824 -17.955 -5.326 1.00 72.24 H new ATOM 0 HG3 LYS A 335 6.631 -16.615 -6.439 1.00 72.24 H new ATOM 0 HD2 LYS A 335 6.371 -15.060 -4.462 1.00 3.30 H new ATOM 0 HD3 LYS A 335 6.672 -16.414 -3.391 1.00 3.30 H new ATOM 0 HE2 LYS A 335 8.673 -14.831 -4.134 1.00 25.32 H new ATOM 0 HE3 LYS A 335 8.934 -16.555 -3.962 1.00 25.32 H new ATOM 0 HZ1 LYS A 335 9.818 -15.996 -6.033 1.00 11.02 H new ATOM 0 HZ2 LYS A 335 8.321 -16.706 -6.404 1.00 11.02 H new ATOM 0 HZ3 LYS A 335 8.495 -15.018 -6.454 1.00 11.02 H new ATOM 1426 N CYS A 336 6.312 -18.898 -2.941 1.00 75.00 N ATOM 1427 CA CYS A 336 7.320 -19.877 -2.573 1.00 32.42 C ATOM 1428 C CYS A 336 7.999 -20.372 -3.852 1.00 12.15 C ATOM 1429 O CYS A 336 7.929 -21.556 -4.177 1.00 44.04 O ATOM 1430 CB CYS A 336 6.721 -21.029 -1.763 1.00 13.22 C ATOM 1431 SG CYS A 336 7.203 -20.874 -0.004 1.00 63.43 S ATOM 0 H CYS A 336 6.340 -18.033 -2.401 1.00 75.00 H new ATOM 0 HA CYS A 336 8.063 -19.411 -1.925 1.00 32.42 H new ATOM 0 HB2 CYS A 336 5.635 -21.022 -1.853 1.00 13.22 H new ATOM 0 HB3 CYS A 336 7.067 -21.983 -2.161 1.00 13.22 H new ATOM 0 HG CYS A 336 8.287 -21.559 0.211 1.00 63.43 H new ATOM 1437 N ALA A 337 8.640 -19.440 -4.542 1.00 33.04 N ATOM 1438 CA ALA A 337 9.331 -19.766 -5.777 1.00 74.35 C ATOM 1439 C ALA A 337 10.611 -20.538 -5.452 1.00 60.24 C ATOM 1440 O ALA A 337 10.880 -20.840 -4.291 1.00 3.13 O ATOM 1441 CB ALA A 337 9.607 -18.482 -6.562 1.00 62.43 C ATOM 0 H ALA A 337 8.695 -18.459 -4.269 1.00 33.04 H new ATOM 0 HA ALA A 337 8.712 -20.405 -6.406 1.00 74.35 H new ATOM 0 HB1 ALA A 337 10.126 -18.727 -7.489 1.00 62.43 H new ATOM 0 HB2 ALA A 337 8.664 -17.987 -6.794 1.00 62.43 H new ATOM 0 HB3 ALA A 337 10.229 -17.816 -5.963 1.00 62.43 H new ATOM 1447 N ASP A 338 11.367 -20.836 -6.499 1.00 55.33 N ATOM 1448 CA ASP A 338 12.612 -21.567 -6.340 1.00 2.32 C ATOM 1449 C ASP A 338 13.700 -20.610 -5.847 1.00 61.31 C ATOM 1450 O ASP A 338 14.750 -20.482 -6.475 1.00 52.15 O ATOM 1451 CB ASP A 338 13.075 -22.164 -7.670 1.00 53.33 C ATOM 1452 CG ASP A 338 12.038 -23.035 -8.383 1.00 44.11 C ATOM 1453 OD1 ASP A 338 10.967 -22.555 -8.782 1.00 35.54 O ATOM 1454 OD2 ASP A 338 12.372 -24.273 -8.526 1.00 45.31 O ATOM 0 H ASP A 338 11.141 -20.584 -7.461 1.00 55.33 H new ATOM 0 HA ASP A 338 12.442 -22.371 -5.624 1.00 2.32 H new ATOM 0 HB2 ASP A 338 13.364 -21.350 -8.336 1.00 53.33 H new ATOM 0 HB3 ASP A 338 13.969 -22.762 -7.491 1.00 53.33 H new ATOM 1460 N SER A 339 13.412 -19.964 -4.727 1.00 40.32 N ATOM 1461 CA SER A 339 14.353 -19.023 -4.143 1.00 12.10 C ATOM 1462 C SER A 339 13.896 -18.632 -2.736 1.00 25.32 C ATOM 1463 O SER A 339 12.700 -18.602 -2.454 1.00 13.35 O ATOM 1464 CB SER A 339 14.501 -17.777 -5.018 1.00 55.31 C ATOM 1465 OG SER A 339 15.396 -17.991 -6.106 1.00 33.40 O ATOM 0 H SER A 339 12.541 -20.073 -4.208 1.00 40.32 H new ATOM 0 HA SER A 339 15.327 -19.508 -4.081 1.00 12.10 H new ATOM 0 HB2 SER A 339 13.524 -17.487 -5.404 1.00 55.31 H new ATOM 0 HB3 SER A 339 14.862 -16.948 -4.410 1.00 55.31 H new ATOM 0 HG SER A 339 15.609 -18.945 -6.172 1.00 33.40 H new ATOM 1471 N ASN A 340 14.875 -18.343 -1.890 1.00 74.41 N ATOM 1472 CA ASN A 340 14.589 -17.956 -0.519 1.00 74.02 C ATOM 1473 C ASN A 340 13.635 -16.760 -0.520 1.00 50.43 C ATOM 1474 O ASN A 340 12.973 -16.488 0.480 1.00 31.02 O ATOM 1475 CB ASN A 340 15.866 -17.542 0.214 1.00 51.20 C ATOM 1476 CG ASN A 340 16.797 -18.740 0.413 1.00 51.40 C ATOM 1477 OD1 ASN A 340 16.672 -19.769 -0.230 1.00 21.24 O ATOM 1478 ND2 ASN A 340 17.734 -18.548 1.337 1.00 64.54 N ATOM 0 H ASN A 340 15.867 -18.369 -2.128 1.00 74.41 H new ATOM 0 HA ASN A 340 14.144 -18.813 -0.012 1.00 74.02 H new ATOM 0 HB2 ASN A 340 16.381 -16.767 -0.354 1.00 51.20 H new ATOM 0 HB3 ASN A 340 15.610 -17.111 1.182 1.00 51.20 H new ATOM 0 HD21 ASN A 340 18.405 -19.288 1.544 1.00 64.54 H new ATOM 0 HD22 ASN A 340 17.782 -17.661 1.838 1.00 64.54 H new ATOM 1485 N GLU A 341 13.595 -16.076 -1.655 1.00 23.24 N ATOM 1486 CA GLU A 341 12.734 -14.915 -1.799 1.00 72.11 C ATOM 1487 C GLU A 341 11.270 -15.349 -1.901 1.00 22.42 C ATOM 1488 O GLU A 341 10.961 -16.359 -2.533 1.00 10.55 O ATOM 1489 CB GLU A 341 13.142 -14.077 -3.012 1.00 4.30 C ATOM 1490 CG GLU A 341 14.088 -12.946 -2.603 1.00 44.22 C ATOM 1491 CD GLU A 341 14.724 -12.291 -3.832 1.00 34.43 C ATOM 1492 OE1 GLU A 341 15.283 -11.189 -3.728 1.00 35.42 O ATOM 1493 OE2 GLU A 341 14.623 -12.970 -4.924 1.00 54.23 O ATOM 0 H GLU A 341 14.145 -16.304 -2.483 1.00 23.24 H new ATOM 0 HA GLU A 341 12.847 -14.291 -0.912 1.00 72.11 H new ATOM 0 HB2 GLU A 341 13.628 -14.713 -3.751 1.00 4.30 H new ATOM 0 HB3 GLU A 341 12.254 -13.660 -3.486 1.00 4.30 H new ATOM 0 HG2 GLU A 341 13.540 -12.198 -2.031 1.00 44.22 H new ATOM 0 HG3 GLU A 341 14.868 -13.338 -1.951 1.00 44.22 H new ATOM 1501 N ILE A 342 10.408 -14.566 -1.269 1.00 44.13 N ATOM 1502 CA ILE A 342 8.985 -14.857 -1.281 1.00 11.12 C ATOM 1503 C ILE A 342 8.200 -13.544 -1.260 1.00 1.32 C ATOM 1504 O ILE A 342 8.342 -12.746 -0.334 1.00 31.30 O ATOM 1505 CB ILE A 342 8.623 -15.808 -0.138 1.00 2.20 C ATOM 1506 CG1 ILE A 342 9.397 -17.123 -0.253 1.00 41.31 C ATOM 1507 CG2 ILE A 342 7.112 -16.036 -0.072 1.00 73.13 C ATOM 1508 CD1 ILE A 342 9.052 -18.065 0.902 1.00 1.20 C ATOM 0 H ILE A 342 10.668 -13.730 -0.745 1.00 44.13 H new ATOM 0 HA ILE A 342 8.711 -15.378 -2.198 1.00 11.12 H new ATOM 0 HB ILE A 342 8.919 -15.341 0.801 1.00 2.20 H new ATOM 0 HG12 ILE A 342 9.163 -17.605 -1.202 1.00 41.31 H new ATOM 0 HG13 ILE A 342 10.468 -16.920 -0.254 1.00 41.31 H new ATOM 0 HG21 ILE A 342 6.882 -16.715 0.749 1.00 73.13 H new ATOM 0 HG22 ILE A 342 6.607 -15.084 0.093 1.00 73.13 H new ATOM 0 HG23 ILE A 342 6.768 -16.471 -1.010 1.00 73.13 H new ATOM 0 HD11 ILE A 342 9.616 -18.992 0.796 1.00 1.20 H new ATOM 0 HD12 ILE A 342 9.310 -17.590 1.848 1.00 1.20 H new ATOM 0 HD13 ILE A 342 7.985 -18.285 0.885 1.00 1.20 H new ATOM 1520 N THR A 343 7.389 -13.359 -2.291 1.00 64.34 N ATOM 1521 CA THR A 343 6.582 -12.156 -2.403 1.00 70.51 C ATOM 1522 C THR A 343 5.102 -12.519 -2.538 1.00 53.43 C ATOM 1523 O THR A 343 4.581 -12.612 -3.649 1.00 33.34 O ATOM 1524 CB THR A 343 7.117 -11.336 -3.578 1.00 55.34 C ATOM 1525 OG1 THR A 343 6.641 -12.028 -4.730 1.00 3.32 O ATOM 1526 CG2 THR A 343 8.640 -11.411 -3.701 1.00 32.24 C ATOM 0 H THR A 343 7.273 -14.023 -3.057 1.00 64.34 H new ATOM 0 HA THR A 343 6.654 -11.545 -1.503 1.00 70.51 H new ATOM 0 HB THR A 343 6.814 -10.296 -3.461 1.00 55.34 H new ATOM 0 HG1 THR A 343 5.671 -11.910 -4.805 1.00 3.32 H new ATOM 0 HG21 THR A 343 8.966 -10.811 -4.551 1.00 32.24 H new ATOM 0 HG22 THR A 343 9.098 -11.028 -2.789 1.00 32.24 H new ATOM 0 HG23 THR A 343 8.942 -12.447 -3.851 1.00 32.24 H new ATOM 1534 N LEU A 344 4.466 -12.712 -1.392 1.00 72.32 N ATOM 1535 CA LEU A 344 3.056 -13.062 -1.368 1.00 73.15 C ATOM 1536 C LEU A 344 2.319 -12.268 -2.449 1.00 65.14 C ATOM 1537 O LEU A 344 2.742 -11.172 -2.816 1.00 35.24 O ATOM 1538 CB LEU A 344 2.479 -12.870 0.036 1.00 44.43 C ATOM 1539 CG LEU A 344 2.805 -13.967 1.051 1.00 63.33 C ATOM 1540 CD1 LEU A 344 4.317 -14.175 1.167 1.00 75.41 C ATOM 1541 CD2 LEU A 344 2.162 -13.669 2.406 1.00 31.04 C ATOM 0 H LEU A 344 4.901 -12.633 -0.473 1.00 72.32 H new ATOM 0 HA LEU A 344 2.923 -14.119 -1.600 1.00 73.15 H new ATOM 0 HB2 LEU A 344 2.841 -11.920 0.429 1.00 44.43 H new ATOM 0 HB3 LEU A 344 1.395 -12.789 -0.046 1.00 44.43 H new ATOM 0 HG LEU A 344 2.378 -14.903 0.691 1.00 63.33 H new ATOM 0 HD11 LEU A 344 4.521 -14.960 1.895 1.00 75.41 H new ATOM 0 HD12 LEU A 344 4.720 -14.466 0.197 1.00 75.41 H new ATOM 0 HD13 LEU A 344 4.788 -13.247 1.492 1.00 75.41 H new ATOM 0 HD21 LEU A 344 2.410 -14.464 3.109 1.00 31.04 H new ATOM 0 HD22 LEU A 344 2.538 -12.719 2.786 1.00 31.04 H new ATOM 0 HD23 LEU A 344 1.080 -13.611 2.290 1.00 31.04 H new ATOM 1553 N LYS A 345 1.232 -12.852 -2.930 1.00 14.01 N ATOM 1554 CA LYS A 345 0.433 -12.213 -3.962 1.00 13.34 C ATOM 1555 C LYS A 345 -1.037 -12.216 -3.538 1.00 34.14 C ATOM 1556 O LYS A 345 -1.693 -11.175 -3.549 1.00 22.32 O ATOM 1557 CB LYS A 345 0.683 -12.873 -5.319 1.00 52.10 C ATOM 1558 CG LYS A 345 1.028 -14.354 -5.153 1.00 24.11 C ATOM 1559 CD LYS A 345 2.531 -14.546 -4.937 1.00 10.30 C ATOM 1560 CE LYS A 345 3.310 -14.262 -6.223 1.00 21.31 C ATOM 1561 NZ LYS A 345 2.944 -15.236 -7.276 1.00 24.13 N ATOM 0 H LYS A 345 0.885 -13.761 -2.624 1.00 14.01 H new ATOM 0 HA LYS A 345 0.729 -11.171 -4.082 1.00 13.34 H new ATOM 0 HB2 LYS A 345 -0.203 -12.770 -5.946 1.00 52.10 H new ATOM 0 HB3 LYS A 345 1.498 -12.361 -5.832 1.00 52.10 H new ATOM 0 HG2 LYS A 345 0.480 -14.766 -4.306 1.00 24.11 H new ATOM 0 HG3 LYS A 345 0.711 -14.906 -6.037 1.00 24.11 H new ATOM 0 HD2 LYS A 345 2.876 -13.882 -4.144 1.00 10.30 H new ATOM 0 HD3 LYS A 345 2.727 -15.566 -4.606 1.00 10.30 H new ATOM 0 HE2 LYS A 345 3.099 -13.249 -6.567 1.00 21.31 H new ATOM 0 HE3 LYS A 345 4.381 -14.315 -6.026 1.00 21.31 H new ATOM 0 HZ1 LYS A 345 3.705 -15.284 -7.984 1.00 24.13 H new ATOM 0 HZ2 LYS A 345 2.808 -16.174 -6.849 1.00 24.13 H new ATOM 0 HZ3 LYS A 345 2.062 -14.934 -7.736 1.00 24.13 H new ATOM 1574 N SER A 346 -1.512 -13.398 -3.174 1.00 34.22 N ATOM 1575 CA SER A 346 -2.893 -13.551 -2.747 1.00 1.10 C ATOM 1576 C SER A 346 -3.332 -15.008 -2.906 1.00 24.03 C ATOM 1577 O SER A 346 -2.884 -15.699 -3.819 1.00 64.02 O ATOM 1578 CB SER A 346 -3.820 -12.628 -3.540 1.00 70.05 C ATOM 1579 OG SER A 346 -3.457 -12.561 -4.917 1.00 23.42 O ATOM 0 H SER A 346 -0.965 -14.259 -3.166 1.00 34.22 H new ATOM 0 HA SER A 346 -2.959 -13.271 -1.696 1.00 1.10 H new ATOM 0 HB2 SER A 346 -4.847 -12.983 -3.453 1.00 70.05 H new ATOM 0 HB3 SER A 346 -3.791 -11.627 -3.108 1.00 70.05 H new ATOM 0 HG SER A 346 -2.881 -11.782 -5.066 1.00 23.42 H new ATOM 1585 N PRO A 347 -4.226 -15.443 -1.978 1.00 22.30 N ATOM 1586 CA PRO A 347 -4.730 -16.806 -2.006 1.00 51.40 C ATOM 1587 C PRO A 347 -5.753 -16.989 -3.129 1.00 14.53 C ATOM 1588 O PRO A 347 -5.645 -17.919 -3.927 1.00 14.55 O ATOM 1589 CB PRO A 347 -5.318 -17.036 -0.623 1.00 63.23 C ATOM 1590 CG PRO A 347 -5.539 -15.655 -0.029 1.00 13.20 C ATOM 1591 CD PRO A 347 -4.778 -14.653 -0.882 1.00 14.12 C ATOM 0 HA PRO A 347 -3.952 -17.538 -2.220 1.00 51.40 H new ATOM 0 HB2 PRO A 347 -6.255 -17.589 -0.684 1.00 63.23 H new ATOM 0 HB3 PRO A 347 -4.641 -17.624 -0.003 1.00 63.23 H new ATOM 0 HG2 PRO A 347 -6.602 -15.412 -0.012 1.00 13.20 H new ATOM 0 HG3 PRO A 347 -5.188 -15.623 1.002 1.00 13.20 H new ATOM 0 HD2 PRO A 347 -5.437 -13.868 -1.253 1.00 14.12 H new ATOM 0 HD3 PRO A 347 -3.989 -14.164 -0.310 1.00 14.12 H new ATOM 1599 N LEU A 348 -6.723 -16.086 -3.155 1.00 32.32 N ATOM 1600 CA LEU A 348 -7.765 -16.136 -4.167 1.00 21.34 C ATOM 1601 C LEU A 348 -7.987 -14.733 -4.734 1.00 2.33 C ATOM 1602 O LEU A 348 -8.492 -13.852 -4.040 1.00 13.31 O ATOM 1603 CB LEU A 348 -9.033 -16.778 -3.599 1.00 3.30 C ATOM 1604 CG LEU A 348 -9.934 -17.490 -4.609 1.00 70.34 C ATOM 1605 CD1 LEU A 348 -9.557 -18.968 -4.733 1.00 54.15 C ATOM 1606 CD2 LEU A 348 -11.411 -17.303 -4.255 1.00 5.12 C ATOM 0 H LEU A 348 -6.809 -15.316 -2.492 1.00 32.32 H new ATOM 0 HA LEU A 348 -7.459 -16.771 -4.998 1.00 21.34 H new ATOM 0 HB2 LEU A 348 -8.741 -17.496 -2.833 1.00 3.30 H new ATOM 0 HB3 LEU A 348 -9.618 -16.003 -3.103 1.00 3.30 H new ATOM 0 HG LEU A 348 -9.778 -17.034 -5.587 1.00 70.34 H new ATOM 0 HD11 LEU A 348 -10.213 -19.451 -5.457 1.00 54.15 H new ATOM 0 HD12 LEU A 348 -8.523 -19.053 -5.067 1.00 54.15 H new ATOM 0 HD13 LEU A 348 -9.667 -19.454 -3.764 1.00 54.15 H new ATOM 0 HD21 LEU A 348 -12.029 -17.819 -4.989 1.00 5.12 H new ATOM 0 HD22 LEU A 348 -11.603 -17.716 -3.265 1.00 5.12 H new ATOM 0 HD23 LEU A 348 -11.654 -16.241 -4.259 1.00 5.12 H new