USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=26 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 321 MET CE :methyl -111:sc= -12.9! (180deg=-6.76!) USER MOD Set 1.2: A 336 CYS SG : rot -95:sc= -5.92! USER MOD Set 2.1: A 277 CYS SG : rot -130:sc= -1.29 USER MOD Set 2.2: A 325 ASN : amide:sc= -11.2! C(o=-13!,f=-15!) USER MOD Set 3.1: A 322 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 330 THR OG1 : rot 170:sc= -0.241 USER MOD Set 4.1: A 256 ASN : amide:sc= -3.43 K(o=-5.2,f=-8.2!) USER MOD Set 4.2: A 314 THR OG1 : rot 141:sc= -1.79 USER MOD Set 5.1: A 267 ASN : amide:sc= -4.77! C(o=-4.2!,f=-7.3!) USER MOD Set 5.2: A 269 THR OG1 : rot -88:sc= 0.597 USER MOD Single : A 251 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2.6!) USER MOD Single : A 255 SER OG : rot 180:sc= -0.796 USER MOD Single : A 259 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 260 SER OG : rot 4:sc= 1.06 USER MOD Single : A 262 HIS : no HE2:sc= -0.211 K(o=-0.21,f=-2!) USER MOD Single : A 266 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 270 ASN : amide:sc= -0.163 K(o=-0.16,f=-5.8!) USER MOD Single : A 276 ASN : amide:sc= -0.568 K(o=-0.57,f=-1.5!) USER MOD Single : A 278 THR OG1 : rot -45:sc= 0.0603! USER MOD Single : A 282 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 283 SER OG : rot -120:sc= -0.568 USER MOD Single : A 290 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 MET CE :methyl 149:sc= -1.1 (180deg=-3.63!) USER MOD Single : A 296 HIS : no HD1:sc= -0.697 K(o=-0.7,f=-0.19) USER MOD Single : A 301 LYS NZ :NH3+ -157:sc= -0.018 (180deg=-0.284) USER MOD Single : A 303 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.8!) USER MOD Single : A 304 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.604) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 318 ASN : amide:sc= -0.14 K(o=-0.14,f=-2!) USER MOD Single : A 319 TYR OH : rot 180:sc= 0 USER MOD Single : A 320 THR OG1 : rot 180:sc= 0 USER MOD Single : A 326 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 335 LYS NZ :NH3+ 171:sc= -1.57 (180deg=-1.71) USER MOD Single : A 339 SER OG : rot 8:sc= 1.24 USER MOD Single : A 340 ASN : amide:sc= -0.317 K(o=-0.32,f=-2.1!) USER MOD Single : A 343 THR OG1 : rot 54:sc= 0.796! USER MOD Single : A 345 LYS NZ :NH3+ -155:sc= -0.514 (180deg=-1.17) USER MOD Single : A 346 SER OG : rot 180:sc= -0.123 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 249 2.834 -6.559 -1.402 1.00 2.05 N ATOM 43 CA LEU A 249 3.942 -7.499 -1.413 1.00 61.20 C ATOM 44 C LEU A 249 4.588 -7.537 -0.026 1.00 53.14 C ATOM 45 O LEU A 249 4.863 -6.493 0.563 1.00 43.24 O ATOM 46 CB LEU A 249 4.921 -7.159 -2.538 1.00 64.44 C ATOM 47 CG LEU A 249 6.143 -6.330 -2.137 1.00 13.30 C ATOM 48 CD1 LEU A 249 5.722 -5.050 -1.412 1.00 53.22 C ATOM 49 CD2 LEU A 249 7.123 -7.162 -1.308 1.00 34.13 C ATOM 0 HA LEU A 249 3.585 -8.506 -1.626 1.00 61.20 H new ATOM 0 HB2 LEU A 249 5.269 -8.091 -2.983 1.00 64.44 H new ATOM 0 HB3 LEU A 249 4.379 -6.618 -3.314 1.00 64.44 H new ATOM 0 HG LEU A 249 6.665 -6.030 -3.045 1.00 13.30 H new ATOM 0 HD11 LEU A 249 6.609 -4.479 -1.138 1.00 53.22 H new ATOM 0 HD12 LEU A 249 5.093 -4.450 -2.069 1.00 53.22 H new ATOM 0 HD13 LEU A 249 5.164 -5.308 -0.512 1.00 53.22 H new ATOM 0 HD21 LEU A 249 7.982 -6.549 -1.037 1.00 34.13 H new ATOM 0 HD22 LEU A 249 6.627 -7.513 -0.403 1.00 34.13 H new ATOM 0 HD23 LEU A 249 7.459 -8.018 -1.893 1.00 34.13 H new ATOM 61 N LEU A 250 4.810 -8.751 0.455 1.00 62.23 N ATOM 62 CA LEU A 250 5.418 -8.939 1.761 1.00 2.30 C ATOM 63 C LEU A 250 6.764 -9.647 1.595 1.00 22.03 C ATOM 64 O LEU A 250 6.810 -10.856 1.375 1.00 24.45 O ATOM 65 CB LEU A 250 4.454 -9.663 2.702 1.00 74.41 C ATOM 66 CG LEU A 250 5.005 -10.018 4.085 1.00 53.43 C ATOM 67 CD1 LEU A 250 4.206 -9.321 5.188 1.00 3.40 C ATOM 68 CD2 LEU A 250 5.054 -11.534 4.283 1.00 12.14 C ATOM 0 H LEU A 250 4.580 -9.615 -0.036 1.00 62.23 H new ATOM 0 HA LEU A 250 5.620 -7.976 2.229 1.00 2.30 H new ATOM 0 HB2 LEU A 250 3.570 -9.039 2.834 1.00 74.41 H new ATOM 0 HB3 LEU A 250 4.126 -10.582 2.217 1.00 74.41 H new ATOM 0 HG LEU A 250 6.030 -9.652 4.149 1.00 53.43 H new ATOM 0 HD11 LEU A 250 4.618 -9.590 6.161 1.00 3.40 H new ATOM 0 HD12 LEU A 250 4.267 -8.241 5.054 1.00 3.40 H new ATOM 0 HD13 LEU A 250 3.164 -9.635 5.136 1.00 3.40 H new ATOM 0 HD21 LEU A 250 5.449 -11.759 5.274 1.00 12.14 H new ATOM 0 HD22 LEU A 250 4.049 -11.946 4.191 1.00 12.14 H new ATOM 0 HD23 LEU A 250 5.699 -11.979 3.525 1.00 12.14 H new ATOM 80 N HIS A 251 7.827 -8.864 1.707 1.00 12.51 N ATOM 81 CA HIS A 251 9.170 -9.401 1.572 1.00 2.44 C ATOM 82 C HIS A 251 9.470 -10.334 2.747 1.00 10.23 C ATOM 83 O HIS A 251 8.985 -10.116 3.857 1.00 64.52 O ATOM 84 CB HIS A 251 10.195 -8.273 1.435 1.00 52.24 C ATOM 85 CG HIS A 251 10.447 -7.843 0.009 1.00 21.20 C ATOM 86 ND1 HIS A 251 10.233 -6.549 -0.433 1.00 72.42 N ATOM 87 CD2 HIS A 251 10.899 -8.548 -1.068 1.00 35.43 C ATOM 88 CE1 HIS A 251 10.543 -6.490 -1.720 1.00 24.32 C ATOM 89 NE2 HIS A 251 10.955 -7.730 -2.111 1.00 63.33 N ATOM 0 H HIS A 251 7.785 -7.861 1.890 1.00 12.51 H new ATOM 0 HA HIS A 251 9.240 -9.990 0.658 1.00 2.44 H new ATOM 0 HB2 HIS A 251 9.851 -7.412 2.008 1.00 52.24 H new ATOM 0 HB3 HIS A 251 11.137 -8.596 1.878 1.00 52.24 H new ATOM 0 HD2 HIS A 251 11.166 -9.594 -1.071 1.00 35.43 H new ATOM 0 HE1 HIS A 251 10.480 -5.614 -2.349 1.00 24.32 H new ATOM 0 HE2 HIS A 251 11.257 -7.986 -3.051 1.00 63.33 H new ATOM 97 N VAL A 252 10.267 -11.353 2.463 1.00 3.01 N ATOM 98 CA VAL A 252 10.638 -12.320 3.482 1.00 34.33 C ATOM 99 C VAL A 252 12.072 -12.792 3.235 1.00 40.42 C ATOM 100 O VAL A 252 12.603 -12.625 2.138 1.00 63.31 O ATOM 101 CB VAL A 252 9.627 -13.469 3.506 1.00 53.51 C ATOM 102 CG1 VAL A 252 9.943 -14.455 4.632 1.00 2.51 C ATOM 103 CG2 VAL A 252 8.197 -12.938 3.627 1.00 11.33 C ATOM 0 H VAL A 252 10.666 -11.530 1.541 1.00 3.01 H new ATOM 0 HA VAL A 252 10.613 -11.861 4.470 1.00 34.33 H new ATOM 0 HB VAL A 252 9.707 -14.005 2.560 1.00 53.51 H new ATOM 0 HG11 VAL A 252 9.209 -15.261 4.626 1.00 2.51 H new ATOM 0 HG12 VAL A 252 10.940 -14.870 4.483 1.00 2.51 H new ATOM 0 HG13 VAL A 252 9.905 -13.937 5.590 1.00 2.51 H new ATOM 0 HG21 VAL A 252 7.498 -13.774 3.642 1.00 11.33 H new ATOM 0 HG22 VAL A 252 8.098 -12.366 4.550 1.00 11.33 H new ATOM 0 HG23 VAL A 252 7.975 -12.295 2.776 1.00 11.33 H new ATOM 113 N GLU A 253 12.658 -13.370 4.272 1.00 21.44 N ATOM 114 CA GLU A 253 14.021 -13.867 4.181 1.00 13.04 C ATOM 115 C GLU A 253 14.118 -15.265 4.794 1.00 20.54 C ATOM 116 O GLU A 253 13.621 -15.501 5.895 1.00 41.33 O ATOM 117 CB GLU A 253 15.001 -12.904 4.854 1.00 62.21 C ATOM 118 CG GLU A 253 16.414 -13.491 4.882 1.00 71.11 C ATOM 119 CD GLU A 253 16.732 -14.217 3.573 1.00 31.43 C ATOM 120 OE1 GLU A 253 16.346 -13.746 2.493 1.00 33.42 O ATOM 121 OE2 GLU A 253 17.407 -15.309 3.706 1.00 52.25 O ATOM 0 H GLU A 253 12.214 -13.506 5.180 1.00 21.44 H new ATOM 0 HA GLU A 253 14.293 -13.934 3.128 1.00 13.04 H new ATOM 0 HB2 GLU A 253 15.008 -11.954 4.319 1.00 62.21 H new ATOM 0 HB3 GLU A 253 14.670 -12.695 5.871 1.00 62.21 H new ATOM 0 HG2 GLU A 253 17.140 -12.694 5.046 1.00 71.11 H new ATOM 0 HG3 GLU A 253 16.507 -14.184 5.718 1.00 71.11 H new ATOM 129 N VAL A 254 14.762 -16.157 4.055 1.00 34.25 N ATOM 130 CA VAL A 254 14.930 -17.526 4.513 1.00 64.14 C ATOM 131 C VAL A 254 16.400 -17.763 4.866 1.00 31.53 C ATOM 132 O VAL A 254 17.257 -17.797 3.984 1.00 33.25 O ATOM 133 CB VAL A 254 14.405 -18.499 3.455 1.00 22.43 C ATOM 134 CG1 VAL A 254 14.612 -19.950 3.895 1.00 63.23 C ATOM 135 CG2 VAL A 254 12.933 -18.226 3.142 1.00 72.12 C ATOM 0 H VAL A 254 15.173 -15.959 3.143 1.00 34.25 H new ATOM 0 HA VAL A 254 14.346 -17.702 5.416 1.00 64.14 H new ATOM 0 HB VAL A 254 14.977 -18.341 2.541 1.00 22.43 H new ATOM 0 HG11 VAL A 254 14.230 -20.621 3.126 1.00 63.23 H new ATOM 0 HG12 VAL A 254 15.675 -20.137 4.045 1.00 63.23 H new ATOM 0 HG13 VAL A 254 14.078 -20.127 4.828 1.00 63.23 H new ATOM 0 HG21 VAL A 254 12.585 -18.931 2.387 1.00 72.12 H new ATOM 0 HG22 VAL A 254 12.340 -18.343 4.049 1.00 72.12 H new ATOM 0 HG23 VAL A 254 12.824 -17.209 2.766 1.00 72.12 H new ATOM 145 N SER A 255 16.646 -17.922 6.158 1.00 2.15 N ATOM 146 CA SER A 255 17.997 -18.155 6.640 1.00 63.23 C ATOM 147 C SER A 255 18.395 -19.613 6.397 1.00 13.34 C ATOM 148 O SER A 255 19.277 -19.893 5.587 1.00 12.13 O ATOM 149 CB SER A 255 18.120 -17.812 8.126 1.00 53.45 C ATOM 150 OG SER A 255 19.476 -17.620 8.519 1.00 12.31 O ATOM 0 H SER A 255 15.932 -17.894 6.886 1.00 2.15 H new ATOM 0 HA SER A 255 18.674 -17.503 6.088 1.00 63.23 H new ATOM 0 HB2 SER A 255 17.550 -16.908 8.338 1.00 53.45 H new ATOM 0 HB3 SER A 255 17.680 -18.613 8.721 1.00 53.45 H new ATOM 0 HG SER A 255 19.512 -17.401 9.474 1.00 12.31 H new ATOM 156 N ASN A 256 17.724 -20.502 7.115 1.00 63.44 N ATOM 157 CA ASN A 256 17.996 -21.924 6.988 1.00 64.12 C ATOM 158 C ASN A 256 19.449 -22.198 7.383 1.00 71.21 C ATOM 159 O ASN A 256 20.250 -22.632 6.556 1.00 54.00 O ATOM 160 CB ASN A 256 17.802 -22.396 5.545 1.00 12.44 C ATOM 161 CG ASN A 256 18.289 -23.835 5.369 1.00 63.05 C ATOM 162 OD1 ASN A 256 18.954 -24.179 4.405 1.00 3.31 O ATOM 163 ND2 ASN A 256 17.923 -24.655 6.350 1.00 54.35 N ATOM 0 H ASN A 256 16.993 -20.265 7.786 1.00 63.44 H new ATOM 0 HA ASN A 256 17.304 -22.459 7.639 1.00 64.12 H new ATOM 0 HB2 ASN A 256 16.748 -22.329 5.275 1.00 12.44 H new ATOM 0 HB3 ASN A 256 18.346 -21.739 4.867 1.00 12.44 H new ATOM 0 HD21 ASN A 256 18.199 -25.637 6.324 1.00 54.35 H new ATOM 0 HD22 ASN A 256 17.366 -24.302 7.128 1.00 54.35 H new ATOM 170 N GLU A 257 19.745 -21.934 8.647 1.00 53.20 N ATOM 171 CA GLU A 257 21.087 -22.147 9.162 1.00 52.52 C ATOM 172 C GLU A 257 21.233 -23.576 9.687 1.00 65.12 C ATOM 173 O GLU A 257 20.269 -24.165 10.173 1.00 1.54 O ATOM 174 CB GLU A 257 21.425 -21.126 10.250 1.00 51.51 C ATOM 175 CG GLU A 257 21.069 -19.707 9.800 1.00 2.02 C ATOM 176 CD GLU A 257 22.078 -19.188 8.774 1.00 5.21 C ATOM 177 OE1 GLU A 257 22.965 -18.394 9.123 1.00 30.11 O ATOM 178 OE2 GLU A 257 21.919 -19.639 7.576 1.00 10.11 O ATOM 0 H GLU A 257 19.078 -21.574 9.330 1.00 53.20 H new ATOM 0 HA GLU A 257 21.795 -22.007 8.345 1.00 52.52 H new ATOM 0 HB2 GLU A 257 20.882 -21.369 11.163 1.00 51.51 H new ATOM 0 HB3 GLU A 257 22.487 -21.180 10.487 1.00 51.51 H new ATOM 0 HG2 GLU A 257 20.068 -19.699 9.368 1.00 2.02 H new ATOM 0 HG3 GLU A 257 21.048 -19.042 10.664 1.00 2.02 H new ATOM 186 N ASP A 258 22.448 -24.094 9.570 1.00 14.43 N ATOM 187 CA ASP A 258 22.733 -25.443 10.027 1.00 31.21 C ATOM 188 C ASP A 258 22.193 -25.621 11.447 1.00 34.14 C ATOM 189 O ASP A 258 21.906 -26.740 11.871 1.00 42.12 O ATOM 190 CB ASP A 258 24.240 -25.707 10.058 1.00 75.21 C ATOM 191 CG ASP A 258 25.011 -25.192 8.841 1.00 4.05 C ATOM 192 OD1 ASP A 258 25.413 -24.020 8.790 1.00 64.14 O ATOM 193 OD2 ASP A 258 25.198 -26.061 7.907 1.00 45.15 O ATOM 0 H ASP A 258 23.245 -23.603 9.165 1.00 14.43 H new ATOM 0 HA ASP A 258 22.258 -26.140 9.336 1.00 31.21 H new ATOM 0 HB2 ASP A 258 24.656 -25.247 10.954 1.00 75.21 H new ATOM 0 HB3 ASP A 258 24.404 -26.781 10.145 1.00 75.21 H new ATOM 199 N ASN A 259 22.070 -24.501 12.144 1.00 14.11 N ATOM 200 CA ASN A 259 21.569 -24.519 13.508 1.00 53.10 C ATOM 201 C ASN A 259 20.051 -24.714 13.487 1.00 43.31 C ATOM 202 O ASN A 259 19.532 -25.639 14.109 1.00 11.23 O ATOM 203 CB ASN A 259 21.866 -23.199 14.221 1.00 0.44 C ATOM 204 CG ASN A 259 23.373 -22.950 14.309 1.00 41.11 C ATOM 205 OD1 ASN A 259 24.035 -23.319 15.265 1.00 70.30 O ATOM 206 ND2 ASN A 259 23.877 -22.305 13.261 1.00 53.43 N ATOM 0 H ASN A 259 22.309 -23.575 11.790 1.00 14.11 H new ATOM 0 HA ASN A 259 22.062 -25.334 14.038 1.00 53.10 H new ATOM 0 HB2 ASN A 259 21.389 -22.378 13.687 1.00 0.44 H new ATOM 0 HB3 ASN A 259 21.438 -23.219 15.223 1.00 0.44 H new ATOM 0 HD21 ASN A 259 24.874 -22.091 13.225 1.00 53.43 H new ATOM 0 HD22 ASN A 259 23.267 -22.024 12.493 1.00 53.43 H new ATOM 213 N SER A 260 19.383 -23.827 12.764 1.00 10.23 N ATOM 214 CA SER A 260 17.935 -23.890 12.654 1.00 45.51 C ATOM 215 C SER A 260 17.454 -22.947 11.549 1.00 73.41 C ATOM 216 O SER A 260 18.263 -22.346 10.844 1.00 31.21 O ATOM 217 CB SER A 260 17.266 -23.535 13.983 1.00 11.11 C ATOM 218 OG SER A 260 17.406 -24.576 14.946 1.00 62.00 O ATOM 0 H SER A 260 19.817 -23.061 12.249 1.00 10.23 H new ATOM 0 HA SER A 260 17.655 -24.912 12.399 1.00 45.51 H new ATOM 0 HB2 SER A 260 17.704 -22.617 14.375 1.00 11.11 H new ATOM 0 HB3 SER A 260 16.207 -23.337 13.815 1.00 11.11 H new ATOM 0 HG SER A 260 17.957 -25.295 14.573 1.00 62.00 H new ATOM 224 N LEU A 261 16.138 -22.848 11.432 1.00 34.11 N ATOM 225 CA LEU A 261 15.538 -21.989 10.425 1.00 63.32 C ATOM 226 C LEU A 261 15.409 -20.570 10.982 1.00 21.31 C ATOM 227 O LEU A 261 15.721 -20.326 12.147 1.00 61.15 O ATOM 228 CB LEU A 261 14.215 -22.581 9.935 1.00 12.43 C ATOM 229 CG LEU A 261 14.307 -23.538 8.746 1.00 63.34 C ATOM 230 CD1 LEU A 261 12.956 -24.199 8.467 1.00 54.51 C ATOM 231 CD2 LEU A 261 14.863 -22.826 7.511 1.00 71.24 C ATOM 0 H LEU A 261 15.470 -23.349 12.018 1.00 34.11 H new ATOM 0 HA LEU A 261 16.178 -21.929 9.545 1.00 63.32 H new ATOM 0 HB2 LEU A 261 13.747 -23.109 10.766 1.00 12.43 H new ATOM 0 HB3 LEU A 261 13.551 -21.760 9.664 1.00 12.43 H new ATOM 0 HG LEU A 261 15.007 -24.333 9.002 1.00 63.34 H new ATOM 0 HD11 LEU A 261 13.050 -24.874 7.617 1.00 54.51 H new ATOM 0 HD12 LEU A 261 12.638 -24.762 9.344 1.00 54.51 H new ATOM 0 HD13 LEU A 261 12.215 -23.432 8.241 1.00 54.51 H new ATOM 0 HD21 LEU A 261 14.918 -23.529 6.680 1.00 71.24 H new ATOM 0 HD22 LEU A 261 14.207 -21.998 7.243 1.00 71.24 H new ATOM 0 HD23 LEU A 261 15.860 -22.444 7.730 1.00 71.24 H new ATOM 243 N HIS A 262 14.949 -19.672 10.124 1.00 12.32 N ATOM 244 CA HIS A 262 14.775 -18.283 10.516 1.00 35.32 C ATOM 245 C HIS A 262 14.111 -17.508 9.376 1.00 1.34 C ATOM 246 O HIS A 262 14.740 -17.243 8.353 1.00 55.42 O ATOM 247 CB HIS A 262 16.107 -17.671 10.953 1.00 33.04 C ATOM 248 CG HIS A 262 15.963 -16.433 11.807 1.00 61.52 C ATOM 249 ND1 HIS A 262 17.050 -15.732 12.300 1.00 72.53 N ATOM 250 CD2 HIS A 262 14.851 -15.779 12.248 1.00 35.41 C ATOM 251 CE1 HIS A 262 16.600 -14.705 13.005 1.00 31.43 C ATOM 252 NE2 HIS A 262 15.237 -14.736 12.973 1.00 74.54 N ATOM 0 H HIS A 262 14.691 -19.878 9.159 1.00 12.32 H new ATOM 0 HA HIS A 262 14.115 -18.225 11.381 1.00 35.32 H new ATOM 0 HB2 HIS A 262 16.674 -18.419 11.508 1.00 33.04 H new ATOM 0 HB3 HIS A 262 16.689 -17.422 10.066 1.00 33.04 H new ATOM 0 HD1 HIS A 262 18.031 -15.966 12.146 1.00 72.53 H new ATOM 0 HD2 HIS A 262 13.829 -16.062 12.042 1.00 35.41 H new ATOM 0 HE1 HIS A 262 17.206 -13.972 13.516 1.00 31.43 H new ATOM 260 N PHE A 263 12.849 -17.166 9.592 1.00 5.42 N ATOM 261 CA PHE A 263 12.094 -16.426 8.596 1.00 53.31 C ATOM 262 C PHE A 263 11.780 -15.010 9.085 1.00 32.44 C ATOM 263 O PHE A 263 11.099 -14.836 10.095 1.00 53.44 O ATOM 264 CB PHE A 263 10.781 -17.180 8.379 1.00 73.51 C ATOM 265 CG PHE A 263 10.948 -18.534 7.685 1.00 43.32 C ATOM 266 CD1 PHE A 263 11.230 -19.644 8.418 1.00 0.21 C ATOM 267 CD2 PHE A 263 10.815 -18.626 6.334 1.00 24.34 C ATOM 268 CE1 PHE A 263 11.385 -20.900 7.774 1.00 44.31 C ATOM 269 CE2 PHE A 263 10.971 -19.882 5.690 1.00 31.13 C ATOM 270 CZ PHE A 263 11.253 -20.992 6.424 1.00 75.45 C ATOM 0 H PHE A 263 12.331 -17.388 10.442 1.00 5.42 H new ATOM 0 HA PHE A 263 12.673 -16.344 7.676 1.00 53.31 H new ATOM 0 HB2 PHE A 263 10.299 -17.335 9.344 1.00 73.51 H new ATOM 0 HB3 PHE A 263 10.111 -16.559 7.785 1.00 73.51 H new ATOM 0 HD1 PHE A 263 11.336 -19.570 9.490 1.00 0.21 H new ATOM 0 HD2 PHE A 263 10.591 -17.744 5.752 1.00 24.34 H new ATOM 0 HE1 PHE A 263 11.608 -21.782 8.356 1.00 44.31 H new ATOM 0 HE2 PHE A 263 10.866 -19.956 4.618 1.00 31.13 H new ATOM 0 HZ PHE A 263 11.372 -21.947 5.934 1.00 75.45 H new ATOM 280 N ILE A 264 12.291 -14.036 8.347 1.00 25.34 N ATOM 281 CA ILE A 264 12.074 -12.642 8.694 1.00 42.14 C ATOM 282 C ILE A 264 11.189 -11.989 7.630 1.00 1.22 C ATOM 283 O ILE A 264 11.652 -11.691 6.530 1.00 13.42 O ATOM 284 CB ILE A 264 13.411 -11.928 8.905 1.00 52.23 C ATOM 285 CG1 ILE A 264 14.360 -12.779 9.750 1.00 30.42 C ATOM 286 CG2 ILE A 264 13.200 -10.536 9.505 1.00 21.43 C ATOM 287 CD1 ILE A 264 15.695 -12.064 9.965 1.00 41.44 C ATOM 0 H ILE A 264 12.855 -14.185 7.510 1.00 25.34 H new ATOM 0 HA ILE A 264 11.544 -12.563 9.643 1.00 42.14 H new ATOM 0 HB ILE A 264 13.883 -11.791 7.932 1.00 52.23 H new ATOM 0 HG12 ILE A 264 13.900 -12.994 10.714 1.00 30.42 H new ATOM 0 HG13 ILE A 264 14.531 -13.736 9.258 1.00 30.42 H new ATOM 0 HG21 ILE A 264 14.166 -10.050 9.645 1.00 21.43 H new ATOM 0 HG22 ILE A 264 12.587 -9.938 8.830 1.00 21.43 H new ATOM 0 HG23 ILE A 264 12.697 -10.627 10.468 1.00 21.43 H new ATOM 0 HD11 ILE A 264 16.351 -12.691 10.569 1.00 41.44 H new ATOM 0 HD12 ILE A 264 16.164 -11.872 9.000 1.00 41.44 H new ATOM 0 HD13 ILE A 264 15.523 -11.119 10.479 1.00 41.44 H new ATOM 299 N LEU A 265 9.932 -11.786 7.996 1.00 50.42 N ATOM 300 CA LEU A 265 8.978 -11.173 7.087 1.00 71.21 C ATOM 301 C LEU A 265 8.793 -9.702 7.464 1.00 40.02 C ATOM 302 O LEU A 265 8.552 -9.381 8.626 1.00 11.15 O ATOM 303 CB LEU A 265 7.672 -11.971 7.063 1.00 5.23 C ATOM 304 CG LEU A 265 7.815 -13.493 7.119 1.00 64.14 C ATOM 305 CD1 LEU A 265 7.724 -14.000 8.559 1.00 33.40 C ATOM 306 CD2 LEU A 265 6.794 -14.173 6.205 1.00 33.32 C ATOM 0 H LEU A 265 9.552 -12.035 8.909 1.00 50.42 H new ATOM 0 HA LEU A 265 9.357 -11.195 6.065 1.00 71.21 H new ATOM 0 HB2 LEU A 265 7.059 -11.652 7.906 1.00 5.23 H new ATOM 0 HB3 LEU A 265 7.127 -11.710 6.156 1.00 5.23 H new ATOM 0 HG LEU A 265 8.805 -13.757 6.748 1.00 64.14 H new ATOM 0 HD11 LEU A 265 7.829 -15.085 8.570 1.00 33.40 H new ATOM 0 HD12 LEU A 265 8.521 -13.552 9.153 1.00 33.40 H new ATOM 0 HD13 LEU A 265 6.758 -13.724 8.981 1.00 33.40 H new ATOM 0 HD21 LEU A 265 6.917 -15.254 6.263 1.00 33.32 H new ATOM 0 HD22 LEU A 265 5.786 -13.905 6.522 1.00 33.32 H new ATOM 0 HD23 LEU A 265 6.950 -13.845 5.177 1.00 33.32 H new ATOM 318 N TYR A 266 8.913 -8.847 6.459 1.00 61.12 N ATOM 319 CA TYR A 266 8.762 -7.417 6.670 1.00 22.42 C ATOM 320 C TYR A 266 7.391 -6.935 6.194 1.00 14.53 C ATOM 321 O TYR A 266 7.061 -7.056 5.016 1.00 54.55 O ATOM 322 CB TYR A 266 9.847 -6.749 5.823 1.00 20.12 C ATOM 323 CG TYR A 266 11.090 -7.615 5.609 1.00 44.51 C ATOM 324 CD1 TYR A 266 11.528 -8.454 6.613 1.00 61.32 C ATOM 325 CD2 TYR A 266 11.774 -7.555 4.411 1.00 23.55 C ATOM 326 CE1 TYR A 266 12.698 -9.269 6.411 1.00 4.30 C ATOM 327 CE2 TYR A 266 12.945 -8.370 4.210 1.00 55.03 C ATOM 328 CZ TYR A 266 13.349 -9.186 5.219 1.00 32.45 C ATOM 329 OH TYR A 266 14.454 -9.956 5.029 1.00 41.41 O ATOM 0 H TYR A 266 9.113 -9.117 5.496 1.00 61.12 H new ATOM 0 HA TYR A 266 8.850 -7.174 7.729 1.00 22.42 H new ATOM 0 HB2 TYR A 266 9.426 -6.489 4.852 1.00 20.12 H new ATOM 0 HB3 TYR A 266 10.145 -5.816 6.302 1.00 20.12 H new ATOM 0 HD1 TYR A 266 10.993 -8.500 7.550 1.00 61.32 H new ATOM 0 HD2 TYR A 266 11.432 -6.898 3.625 1.00 23.55 H new ATOM 0 HE1 TYR A 266 13.051 -9.931 7.188 1.00 4.30 H new ATOM 0 HE2 TYR A 266 13.490 -8.333 3.278 1.00 55.03 H new ATOM 0 HH TYR A 266 14.815 -9.795 4.132 1.00 41.41 H new ATOM 339 N ASN A 267 6.629 -6.397 7.136 1.00 75.44 N ATOM 340 CA ASN A 267 5.300 -5.896 6.827 1.00 1.32 C ATOM 341 C ASN A 267 5.419 -4.695 5.886 1.00 72.52 C ATOM 342 O ASN A 267 5.258 -3.552 6.309 1.00 1.21 O ATOM 343 CB ASN A 267 4.578 -5.433 8.094 1.00 23.13 C ATOM 344 CG ASN A 267 3.208 -4.841 7.759 1.00 12.05 C ATOM 345 OD1 ASN A 267 2.414 -5.418 7.035 1.00 53.11 O ATOM 346 ND2 ASN A 267 2.976 -3.660 8.326 1.00 73.23 N ATOM 0 H ASN A 267 6.906 -6.297 8.112 1.00 75.44 H new ATOM 0 HA ASN A 267 4.734 -6.704 6.364 1.00 1.32 H new ATOM 0 HB2 ASN A 267 4.458 -6.274 8.776 1.00 23.13 H new ATOM 0 HB3 ASN A 267 5.184 -4.688 8.610 1.00 23.13 H new ATOM 0 HD21 ASN A 267 2.089 -3.182 8.165 1.00 73.23 H new ATOM 0 HD22 ASN A 267 3.685 -3.232 8.922 1.00 73.23 H new ATOM 353 N LYS A 268 5.699 -4.997 4.627 1.00 62.14 N ATOM 354 CA LYS A 268 5.841 -3.957 3.622 1.00 64.23 C ATOM 355 C LYS A 268 4.490 -3.721 2.944 1.00 42.01 C ATOM 356 O LYS A 268 4.340 -3.968 1.748 1.00 32.24 O ATOM 357 CB LYS A 268 6.967 -4.306 2.645 1.00 14.23 C ATOM 358 CG LYS A 268 8.333 -3.951 3.235 1.00 63.42 C ATOM 359 CD LYS A 268 8.564 -2.439 3.214 1.00 61.14 C ATOM 360 CE LYS A 268 9.493 -2.010 4.351 1.00 20.21 C ATOM 361 NZ LYS A 268 10.265 -0.808 3.965 1.00 62.25 N ATOM 0 H LYS A 268 5.831 -5.947 4.280 1.00 62.14 H new ATOM 0 HA LYS A 268 6.134 -3.016 4.087 1.00 64.23 H new ATOM 0 HB2 LYS A 268 6.933 -5.370 2.411 1.00 14.23 H new ATOM 0 HB3 LYS A 268 6.820 -3.768 1.708 1.00 14.23 H new ATOM 0 HG2 LYS A 268 8.397 -4.318 4.259 1.00 63.42 H new ATOM 0 HG3 LYS A 268 9.119 -4.450 2.668 1.00 63.42 H new ATOM 0 HD2 LYS A 268 8.996 -2.147 2.257 1.00 61.14 H new ATOM 0 HD3 LYS A 268 7.609 -1.920 3.304 1.00 61.14 H new ATOM 0 HE2 LYS A 268 8.908 -1.801 5.247 1.00 20.21 H new ATOM 0 HE3 LYS A 268 10.175 -2.824 4.598 1.00 20.21 H new ATOM 0 HZ1 LYS A 268 10.890 -0.531 4.748 1.00 62.25 H new ATOM 0 HZ2 LYS A 268 10.838 -1.019 3.123 1.00 62.25 H new ATOM 0 HZ3 LYS A 268 9.610 -0.028 3.752 1.00 62.25 H new ATOM 374 N THR A 269 3.541 -3.245 3.737 1.00 65.30 N ATOM 375 CA THR A 269 2.208 -2.973 3.229 1.00 52.15 C ATOM 376 C THR A 269 1.636 -1.712 3.880 1.00 42.14 C ATOM 377 O THR A 269 2.103 -1.288 4.936 1.00 71.12 O ATOM 378 CB THR A 269 1.350 -4.219 3.460 1.00 41.51 C ATOM 379 OG1 THR A 269 1.302 -4.348 4.878 1.00 32.22 O ATOM 380 CG2 THR A 269 2.041 -5.501 2.992 1.00 44.31 C ATOM 0 H THR A 269 3.669 -3.041 4.728 1.00 65.30 H new ATOM 0 HA THR A 269 2.227 -2.768 2.159 1.00 52.15 H new ATOM 0 HB THR A 269 0.400 -4.108 2.937 1.00 41.51 H new ATOM 0 HG1 THR A 269 2.071 -4.872 5.185 1.00 32.22 H new ATOM 0 HG21 THR A 269 1.389 -6.355 3.179 1.00 44.31 H new ATOM 0 HG22 THR A 269 2.252 -5.432 1.925 1.00 44.31 H new ATOM 0 HG23 THR A 269 2.975 -5.631 3.538 1.00 44.31 H new ATOM 388 N ASN A 270 0.634 -1.148 3.222 1.00 12.41 N ATOM 389 CA ASN A 270 -0.007 0.056 3.724 1.00 45.44 C ATOM 390 C ASN A 270 -0.631 -0.234 5.090 1.00 63.41 C ATOM 391 O ASN A 270 -0.352 0.462 6.065 1.00 43.03 O ATOM 392 CB ASN A 270 -1.121 0.520 2.784 1.00 72.23 C ATOM 393 CG ASN A 270 -0.620 0.609 1.341 1.00 71.12 C ATOM 394 OD1 ASN A 270 0.083 -0.257 0.846 1.00 50.31 O ATOM 395 ND2 ASN A 270 -1.020 1.701 0.696 1.00 42.11 N ATOM 0 H ASN A 270 0.250 -1.502 2.346 1.00 12.41 H new ATOM 0 HA ASN A 270 0.751 0.836 3.797 1.00 45.44 H new ATOM 0 HB2 ASN A 270 -1.960 -0.173 2.839 1.00 72.23 H new ATOM 0 HB3 ASN A 270 -1.490 1.494 3.105 1.00 72.23 H new ATOM 0 HD21 ASN A 270 -0.739 1.853 -0.273 1.00 42.11 H new ATOM 0 HD22 ASN A 270 -1.608 2.387 1.170 1.00 42.11 H new ATOM 402 N ILE A 271 -1.464 -1.264 5.117 1.00 23.32 N ATOM 403 CA ILE A 271 -2.130 -1.656 6.348 1.00 43.22 C ATOM 404 C ILE A 271 -1.101 -2.248 7.313 1.00 1.13 C ATOM 405 O ILE A 271 -0.002 -2.619 6.904 1.00 3.41 O ATOM 406 CB ILE A 271 -3.302 -2.592 6.048 1.00 20.21 C ATOM 407 CG1 ILE A 271 -2.818 -3.879 5.377 1.00 51.05 C ATOM 408 CG2 ILE A 271 -4.374 -1.881 5.219 1.00 24.14 C ATOM 409 CD1 ILE A 271 -3.860 -4.991 5.508 1.00 73.42 C ATOM 0 H ILE A 271 -1.693 -1.839 4.306 1.00 23.32 H new ATOM 0 HA ILE A 271 -2.565 -0.786 6.840 1.00 43.22 H new ATOM 0 HB ILE A 271 -3.763 -2.876 6.994 1.00 20.21 H new ATOM 0 HG12 ILE A 271 -2.614 -3.689 4.323 1.00 51.05 H new ATOM 0 HG13 ILE A 271 -1.880 -4.199 5.831 1.00 51.05 H new ATOM 0 HG21 ILE A 271 -5.196 -2.569 5.020 1.00 24.14 H new ATOM 0 HG22 ILE A 271 -4.748 -1.019 5.771 1.00 24.14 H new ATOM 0 HG23 ILE A 271 -3.943 -1.548 4.275 1.00 24.14 H new ATOM 0 HD11 ILE A 271 -3.491 -5.894 5.023 1.00 73.42 H new ATOM 0 HD12 ILE A 271 -4.044 -5.195 6.563 1.00 73.42 H new ATOM 0 HD13 ILE A 271 -4.789 -4.677 5.032 1.00 73.42 H new ATOM 421 N ILE A 272 -1.494 -2.318 8.576 1.00 32.45 N ATOM 422 CA ILE A 272 -0.620 -2.859 9.603 1.00 21.14 C ATOM 423 C ILE A 272 -1.229 -4.148 10.159 1.00 13.11 C ATOM 424 O ILE A 272 -2.439 -4.227 10.369 1.00 42.14 O ATOM 425 CB ILE A 272 -0.333 -1.803 10.673 1.00 30.51 C ATOM 426 CG1 ILE A 272 0.569 -0.696 10.123 1.00 73.50 C ATOM 427 CG2 ILE A 272 0.251 -2.445 11.934 1.00 53.24 C ATOM 428 CD1 ILE A 272 0.276 0.640 10.808 1.00 40.01 C ATOM 0 H ILE A 272 -2.406 -2.009 8.912 1.00 32.45 H new ATOM 0 HA ILE A 272 0.349 -3.121 9.179 1.00 21.14 H new ATOM 0 HB ILE A 272 -1.277 -1.338 10.956 1.00 30.51 H new ATOM 0 HG12 ILE A 272 1.614 -0.965 10.274 1.00 73.50 H new ATOM 0 HG13 ILE A 272 0.417 -0.599 9.048 1.00 73.50 H new ATOM 0 HG21 ILE A 272 0.446 -1.673 12.678 1.00 53.24 H new ATOM 0 HG22 ILE A 272 -0.459 -3.167 12.337 1.00 53.24 H new ATOM 0 HG23 ILE A 272 1.183 -2.953 11.686 1.00 53.24 H new ATOM 0 HD11 ILE A 272 0.930 1.410 10.399 1.00 40.01 H new ATOM 0 HD12 ILE A 272 -0.764 0.918 10.634 1.00 40.01 H new ATOM 0 HD13 ILE A 272 0.452 0.546 11.880 1.00 40.01 H new ATOM 440 N ILE A 273 -0.364 -5.126 10.382 1.00 44.20 N ATOM 441 CA ILE A 273 -0.801 -6.407 10.909 1.00 34.13 C ATOM 442 C ILE A 273 -1.577 -6.181 12.209 1.00 41.24 C ATOM 443 O ILE A 273 -1.172 -5.376 13.046 1.00 44.25 O ATOM 444 CB ILE A 273 0.387 -7.359 11.060 1.00 1.31 C ATOM 445 CG1 ILE A 273 0.716 -8.040 9.730 1.00 22.03 C ATOM 446 CG2 ILE A 273 0.139 -8.373 12.178 1.00 75.40 C ATOM 447 CD1 ILE A 273 1.264 -7.032 8.718 1.00 0.44 C ATOM 0 H ILE A 273 0.639 -5.057 10.207 1.00 44.20 H new ATOM 0 HA ILE A 273 -1.482 -6.893 10.211 1.00 34.13 H new ATOM 0 HB ILE A 273 1.260 -6.773 11.346 1.00 1.31 H new ATOM 0 HG12 ILE A 273 1.448 -8.831 9.894 1.00 22.03 H new ATOM 0 HG13 ILE A 273 -0.180 -8.513 9.328 1.00 22.03 H new ATOM 0 HG21 ILE A 273 0.999 -9.037 12.264 1.00 75.40 H new ATOM 0 HG22 ILE A 273 -0.008 -7.846 13.121 1.00 75.40 H new ATOM 0 HG23 ILE A 273 -0.751 -8.959 11.947 1.00 75.40 H new ATOM 0 HD11 ILE A 273 1.490 -7.542 7.782 1.00 0.44 H new ATOM 0 HD12 ILE A 273 0.520 -6.256 8.538 1.00 0.44 H new ATOM 0 HD13 ILE A 273 2.173 -6.578 9.112 1.00 0.44 H new ATOM 459 N PRO A 274 -2.708 -6.925 12.340 1.00 42.20 N ATOM 460 CA PRO A 274 -3.544 -6.813 13.523 1.00 23.42 C ATOM 461 C PRO A 274 -2.899 -7.519 14.718 1.00 13.33 C ATOM 462 O PRO A 274 -3.156 -7.161 15.867 1.00 44.01 O ATOM 463 CB PRO A 274 -4.877 -7.423 13.122 1.00 40.13 C ATOM 464 CG PRO A 274 -4.595 -8.269 11.891 1.00 42.45 C ATOM 465 CD PRO A 274 -3.219 -7.888 11.369 1.00 23.32 C ATOM 0 HA PRO A 274 -3.675 -5.781 13.849 1.00 23.42 H new ATOM 0 HB2 PRO A 274 -5.286 -8.031 13.928 1.00 40.13 H new ATOM 0 HB3 PRO A 274 -5.611 -6.648 12.903 1.00 40.13 H new ATOM 0 HG2 PRO A 274 -4.628 -9.329 12.141 1.00 42.45 H new ATOM 0 HG3 PRO A 274 -5.354 -8.097 11.128 1.00 42.45 H new ATOM 0 HD2 PRO A 274 -2.568 -8.759 11.295 1.00 23.32 H new ATOM 0 HD3 PRO A 274 -3.281 -7.451 10.372 1.00 23.32 H new ATOM 473 N GLY A 275 -2.075 -8.508 14.407 1.00 72.23 N ATOM 474 CA GLY A 275 -1.392 -9.267 15.441 1.00 40.23 C ATOM 475 C GLY A 275 -2.117 -10.584 15.724 1.00 14.23 C ATOM 476 O GLY A 275 -3.308 -10.714 15.443 1.00 64.12 O ATOM 0 H GLY A 275 -1.865 -8.802 13.453 1.00 72.23 H new ATOM 0 HA2 GLY A 275 -0.367 -9.471 15.130 1.00 40.23 H new ATOM 0 HA3 GLY A 275 -1.336 -8.675 16.355 1.00 40.23 H new ATOM 480 N ASN A 276 -1.370 -11.527 16.278 1.00 4.11 N ATOM 481 CA ASN A 276 -1.927 -12.829 16.603 1.00 65.11 C ATOM 482 C ASN A 276 -2.139 -13.624 15.313 1.00 34.01 C ATOM 483 O ASN A 276 -3.141 -14.324 15.169 1.00 42.30 O ATOM 484 CB ASN A 276 -3.280 -12.690 17.302 1.00 75.44 C ATOM 485 CG ASN A 276 -3.650 -13.977 18.042 1.00 23.22 C ATOM 486 OD1 ASN A 276 -2.802 -14.720 18.510 1.00 13.11 O ATOM 487 ND2 ASN A 276 -4.959 -14.199 18.122 1.00 3.32 N ATOM 0 H ASN A 276 -0.383 -11.415 16.510 1.00 4.11 H new ATOM 0 HA ASN A 276 -1.229 -13.339 17.268 1.00 65.11 H new ATOM 0 HB2 ASN A 276 -3.246 -11.859 18.006 1.00 75.44 H new ATOM 0 HB3 ASN A 276 -4.050 -12.454 16.568 1.00 75.44 H new ATOM 0 HD21 ASN A 276 -5.307 -15.032 18.597 1.00 3.32 H new ATOM 0 HD22 ASN A 276 -5.615 -13.536 17.708 1.00 3.32 H new ATOM 494 N CYS A 277 -1.181 -13.490 14.408 1.00 52.30 N ATOM 495 CA CYS A 277 -1.251 -14.187 13.135 1.00 52.31 C ATOM 496 C CYS A 277 -0.537 -15.531 13.284 1.00 63.45 C ATOM 497 O CYS A 277 -0.109 -15.894 14.379 1.00 54.54 O ATOM 498 CB CYS A 277 -0.661 -13.349 11.998 1.00 31.44 C ATOM 499 SG CYS A 277 -1.678 -11.852 11.731 1.00 15.10 S ATOM 0 H CYS A 277 -0.352 -12.909 14.531 1.00 52.30 H new ATOM 0 HA CYS A 277 -2.294 -14.359 12.868 1.00 52.31 H new ATOM 0 HB2 CYS A 277 0.363 -13.065 12.239 1.00 31.44 H new ATOM 0 HB3 CYS A 277 -0.621 -13.940 11.083 1.00 31.44 H new ATOM 0 HG CYS A 277 -1.962 -11.740 10.467 1.00 15.10 H new ATOM 505 N THR A 278 -0.429 -16.235 12.166 1.00 51.20 N ATOM 506 CA THR A 278 0.226 -17.532 12.158 1.00 3.31 C ATOM 507 C THR A 278 0.765 -17.848 10.762 1.00 62.43 C ATOM 508 O THR A 278 0.275 -17.315 9.768 1.00 61.04 O ATOM 509 CB THR A 278 -0.773 -18.569 12.674 1.00 63.42 C ATOM 510 OG1 THR A 278 -1.352 -17.953 13.820 1.00 35.34 O ATOM 511 CG2 THR A 278 -0.085 -19.818 13.229 1.00 33.43 C ATOM 0 H THR A 278 -0.784 -15.931 11.259 1.00 51.20 H new ATOM 0 HA THR A 278 1.094 -17.541 12.817 1.00 3.31 H new ATOM 0 HB THR A 278 -1.449 -18.855 11.868 1.00 63.42 H new ATOM 0 HG1 THR A 278 -0.645 -17.553 14.369 1.00 35.34 H new ATOM 0 HG21 THR A 278 -0.839 -20.522 13.582 1.00 33.43 H new ATOM 0 HG22 THR A 278 0.509 -20.286 12.444 1.00 33.43 H new ATOM 0 HG23 THR A 278 0.566 -19.537 14.057 1.00 33.43 H new ATOM 519 N PHE A 279 1.767 -18.715 10.731 1.00 32.14 N ATOM 520 CA PHE A 279 2.378 -19.109 9.473 1.00 34.33 C ATOM 521 C PHE A 279 2.013 -20.551 9.115 1.00 72.33 C ATOM 522 O PHE A 279 1.429 -21.268 9.926 1.00 10.23 O ATOM 523 CB PHE A 279 3.893 -19.011 9.661 1.00 13.25 C ATOM 524 CG PHE A 279 4.668 -18.787 8.361 1.00 20.54 C ATOM 525 CD1 PHE A 279 4.194 -17.920 7.427 1.00 33.23 C ATOM 526 CD2 PHE A 279 5.831 -19.456 8.140 1.00 63.30 C ATOM 527 CE1 PHE A 279 4.913 -17.713 6.221 1.00 62.02 C ATOM 528 CE2 PHE A 279 6.551 -19.249 6.933 1.00 33.13 C ATOM 529 CZ PHE A 279 6.076 -18.382 5.999 1.00 5.22 C ATOM 0 H PHE A 279 2.171 -19.156 11.557 1.00 32.14 H new ATOM 0 HA PHE A 279 2.025 -18.462 8.669 1.00 34.33 H new ATOM 0 HB2 PHE A 279 4.111 -18.193 10.348 1.00 13.25 H new ATOM 0 HB3 PHE A 279 4.250 -19.927 10.132 1.00 13.25 H new ATOM 0 HD1 PHE A 279 3.270 -17.389 7.603 1.00 33.23 H new ATOM 0 HD2 PHE A 279 6.207 -20.145 8.882 1.00 63.30 H new ATOM 0 HE1 PHE A 279 4.536 -17.024 5.479 1.00 62.02 H new ATOM 0 HE2 PHE A 279 7.475 -19.780 6.757 1.00 33.13 H new ATOM 0 HZ PHE A 279 6.623 -18.225 5.081 1.00 5.22 H new ATOM 539 N GLU A 280 2.372 -20.934 7.898 1.00 2.22 N ATOM 540 CA GLU A 280 2.090 -22.277 7.422 1.00 20.43 C ATOM 541 C GLU A 280 2.975 -22.611 6.220 1.00 61.32 C ATOM 542 O GLU A 280 2.625 -22.302 5.082 1.00 71.11 O ATOM 543 CB GLU A 280 0.609 -22.436 7.074 1.00 52.35 C ATOM 544 CG GLU A 280 0.396 -23.593 6.095 1.00 4.05 C ATOM 545 CD GLU A 280 -1.009 -24.180 6.238 1.00 55.14 C ATOM 546 OE1 GLU A 280 -1.323 -25.199 5.605 1.00 64.23 O ATOM 547 OE2 GLU A 280 -1.789 -23.539 7.041 1.00 53.12 O ATOM 0 H GLU A 280 2.856 -20.337 7.227 1.00 2.22 H new ATOM 0 HA GLU A 280 2.318 -22.980 8.223 1.00 20.43 H new ATOM 0 HB2 GLU A 280 0.035 -22.614 7.983 1.00 52.35 H new ATOM 0 HB3 GLU A 280 0.233 -21.511 6.636 1.00 52.35 H new ATOM 0 HG2 GLU A 280 0.545 -23.242 5.074 1.00 4.05 H new ATOM 0 HG3 GLU A 280 1.139 -24.370 6.277 1.00 4.05 H new ATOM 555 N PHE A 281 4.105 -23.238 6.513 1.00 71.21 N ATOM 556 CA PHE A 281 5.043 -23.617 5.470 1.00 72.51 C ATOM 557 C PHE A 281 5.137 -25.139 5.344 1.00 74.42 C ATOM 558 O PHE A 281 5.250 -25.843 6.346 1.00 22.12 O ATOM 559 CB PHE A 281 6.411 -23.066 5.876 1.00 13.04 C ATOM 560 CG PHE A 281 6.820 -23.412 7.309 1.00 24.24 C ATOM 561 CD1 PHE A 281 6.304 -22.709 8.353 1.00 60.21 C ATOM 562 CD2 PHE A 281 7.701 -24.423 7.540 1.00 52.24 C ATOM 563 CE1 PHE A 281 6.684 -23.030 9.683 1.00 62.43 C ATOM 564 CE2 PHE A 281 8.081 -24.744 8.870 1.00 61.05 C ATOM 565 CZ PHE A 281 7.565 -24.041 9.913 1.00 32.00 C ATOM 0 H PHE A 281 4.392 -23.493 7.458 1.00 71.21 H new ATOM 0 HA PHE A 281 4.713 -23.219 4.511 1.00 72.51 H new ATOM 0 HB2 PHE A 281 7.165 -23.452 5.190 1.00 13.04 H new ATOM 0 HB3 PHE A 281 6.403 -21.982 5.763 1.00 13.04 H new ATOM 0 HD1 PHE A 281 5.605 -21.906 8.170 1.00 60.21 H new ATOM 0 HD2 PHE A 281 8.111 -24.981 6.712 1.00 52.24 H new ATOM 0 HE1 PHE A 281 6.274 -22.472 10.512 1.00 62.43 H new ATOM 0 HE2 PHE A 281 8.780 -25.547 9.053 1.00 61.05 H new ATOM 0 HZ PHE A 281 7.854 -24.285 10.924 1.00 32.00 H new ATOM 575 N SER A 282 5.086 -25.603 4.104 1.00 54.34 N ATOM 576 CA SER A 282 5.163 -27.028 3.833 1.00 25.34 C ATOM 577 C SER A 282 6.610 -27.426 3.533 1.00 2.31 C ATOM 578 O SER A 282 7.517 -26.601 3.631 1.00 4.01 O ATOM 579 CB SER A 282 4.253 -27.418 2.667 1.00 30.44 C ATOM 580 OG SER A 282 4.327 -28.811 2.375 1.00 64.13 O ATOM 0 H SER A 282 4.992 -25.016 3.275 1.00 54.34 H new ATOM 0 HA SER A 282 4.821 -27.563 4.719 1.00 25.34 H new ATOM 0 HB2 SER A 282 3.223 -27.152 2.906 1.00 30.44 H new ATOM 0 HB3 SER A 282 4.533 -26.847 1.782 1.00 30.44 H new ATOM 0 HG SER A 282 3.731 -29.020 1.626 1.00 64.13 H new ATOM 586 N SER A 283 6.780 -28.689 3.173 1.00 24.43 N ATOM 587 CA SER A 283 8.101 -29.206 2.858 1.00 23.41 C ATOM 588 C SER A 283 7.990 -30.635 2.321 1.00 12.14 C ATOM 589 O SER A 283 6.893 -31.107 2.027 1.00 30.40 O ATOM 590 CB SER A 283 9.014 -29.170 4.085 1.00 22.23 C ATOM 591 OG SER A 283 10.352 -29.543 3.767 1.00 61.24 O ATOM 0 H SER A 283 6.025 -29.370 3.092 1.00 24.43 H new ATOM 0 HA SER A 283 8.543 -28.570 2.091 1.00 23.41 H new ATOM 0 HB2 SER A 283 9.009 -28.167 4.511 1.00 22.23 H new ATOM 0 HB3 SER A 283 8.622 -29.842 4.848 1.00 22.23 H new ATOM 0 HG SER A 283 10.605 -30.332 4.291 1.00 61.24 H new ATOM 660 N VAL A 288 2.332 -30.317 7.199 1.00 70.24 N ATOM 661 CA VAL A 288 2.596 -28.900 7.378 1.00 3.32 C ATOM 662 C VAL A 288 2.529 -28.558 8.868 1.00 2.30 C ATOM 663 O VAL A 288 2.138 -29.392 9.683 1.00 1.21 O ATOM 664 CB VAL A 288 1.625 -28.075 6.531 1.00 1.22 C ATOM 665 CG1 VAL A 288 0.219 -28.094 7.134 1.00 2.33 C ATOM 666 CG2 VAL A 288 2.129 -26.640 6.360 1.00 62.41 C ATOM 0 HA VAL A 288 3.599 -28.652 7.032 1.00 3.32 H new ATOM 0 HB VAL A 288 1.572 -28.531 5.543 1.00 1.22 H new ATOM 0 HG11 VAL A 288 -0.451 -27.500 6.513 1.00 2.33 H new ATOM 0 HG12 VAL A 288 -0.143 -29.121 7.180 1.00 2.33 H new ATOM 0 HG13 VAL A 288 0.249 -27.674 8.140 1.00 2.33 H new ATOM 0 HG21 VAL A 288 1.420 -26.075 5.754 1.00 62.41 H new ATOM 0 HG22 VAL A 288 2.226 -26.169 7.338 1.00 62.41 H new ATOM 0 HG23 VAL A 288 3.100 -26.652 5.866 1.00 62.41 H new ATOM 676 N PHE A 289 2.917 -27.329 9.178 1.00 32.45 N ATOM 677 CA PHE A 289 2.906 -26.867 10.556 1.00 54.31 C ATOM 678 C PHE A 289 2.616 -25.366 10.628 1.00 44.01 C ATOM 679 O PHE A 289 2.970 -24.618 9.718 1.00 51.31 O ATOM 680 CB PHE A 289 4.299 -27.134 11.129 1.00 50.44 C ATOM 681 CG PHE A 289 4.327 -27.287 12.651 1.00 62.03 C ATOM 682 CD1 PHE A 289 3.732 -28.360 13.237 1.00 14.11 C ATOM 683 CD2 PHE A 289 4.948 -26.351 13.417 1.00 12.51 C ATOM 684 CE1 PHE A 289 3.758 -28.502 14.650 1.00 73.23 C ATOM 685 CE2 PHE A 289 4.974 -26.493 14.830 1.00 51.12 C ATOM 686 CZ PHE A 289 4.378 -27.566 15.416 1.00 2.32 C ATOM 0 H PHE A 289 3.241 -26.640 8.499 1.00 32.45 H new ATOM 0 HA PHE A 289 2.130 -27.387 11.117 1.00 54.31 H new ATOM 0 HB2 PHE A 289 4.699 -28.041 10.676 1.00 50.44 H new ATOM 0 HB3 PHE A 289 4.961 -26.316 10.844 1.00 50.44 H new ATOM 0 HD1 PHE A 289 3.240 -29.104 12.628 1.00 14.11 H new ATOM 0 HD2 PHE A 289 5.422 -25.499 12.951 1.00 12.51 H new ATOM 0 HE1 PHE A 289 3.285 -29.354 15.116 1.00 73.23 H new ATOM 0 HE2 PHE A 289 5.467 -25.749 15.439 1.00 51.12 H new ATOM 0 HZ PHE A 289 4.397 -27.674 16.490 1.00 2.32 H new ATOM 696 N SER A 290 1.976 -24.971 11.719 1.00 43.14 N ATOM 697 CA SER A 290 1.636 -23.573 11.921 1.00 14.13 C ATOM 698 C SER A 290 2.331 -23.042 13.176 1.00 12.44 C ATOM 699 O SER A 290 2.227 -23.638 14.247 1.00 1.43 O ATOM 700 CB SER A 290 0.121 -23.386 12.034 1.00 43.11 C ATOM 701 OG SER A 290 -0.337 -23.537 13.375 1.00 40.32 O ATOM 0 H SER A 290 1.684 -25.594 12.472 1.00 43.14 H new ATOM 0 HA SER A 290 1.982 -23.008 11.055 1.00 14.13 H new ATOM 0 HB2 SER A 290 -0.150 -22.396 11.668 1.00 43.11 H new ATOM 0 HB3 SER A 290 -0.383 -24.111 11.395 1.00 43.11 H new ATOM 0 HG SER A 290 -1.308 -23.409 13.405 1.00 40.32 H new ATOM 707 N ILE A 291 3.024 -21.926 13.003 1.00 62.15 N ATOM 708 CA ILE A 291 3.736 -21.308 14.108 1.00 44.42 C ATOM 709 C ILE A 291 2.926 -20.119 14.629 1.00 4.04 C ATOM 710 O ILE A 291 2.515 -19.256 13.855 1.00 4.24 O ATOM 711 CB ILE A 291 5.163 -20.944 13.690 1.00 55.03 C ATOM 712 CG1 ILE A 291 6.087 -22.160 13.781 1.00 43.54 C ATOM 713 CG2 ILE A 291 5.688 -19.761 14.506 1.00 64.42 C ATOM 714 CD1 ILE A 291 7.413 -21.895 13.064 1.00 10.41 C ATOM 0 H ILE A 291 3.107 -21.434 12.114 1.00 62.15 H new ATOM 0 HA ILE A 291 3.840 -22.011 14.935 1.00 44.42 H new ATOM 0 HB ILE A 291 5.145 -20.631 12.646 1.00 55.03 H new ATOM 0 HG12 ILE A 291 6.277 -22.400 14.827 1.00 43.54 H new ATOM 0 HG13 ILE A 291 5.597 -23.028 13.339 1.00 43.54 H new ATOM 0 HG21 ILE A 291 6.703 -19.523 14.189 1.00 64.42 H new ATOM 0 HG22 ILE A 291 5.045 -18.895 14.346 1.00 64.42 H new ATOM 0 HG23 ILE A 291 5.690 -20.021 15.564 1.00 64.42 H new ATOM 0 HD11 ILE A 291 8.052 -22.775 13.143 1.00 10.41 H new ATOM 0 HD12 ILE A 291 7.221 -21.679 12.013 1.00 10.41 H new ATOM 0 HD13 ILE A 291 7.911 -21.042 13.524 1.00 10.41 H new ATOM 726 N LYS A 292 2.721 -20.112 15.938 1.00 23.43 N ATOM 727 CA LYS A 292 1.968 -19.044 16.572 1.00 12.04 C ATOM 728 C LYS A 292 2.807 -17.765 16.574 1.00 44.03 C ATOM 729 O LYS A 292 3.850 -17.703 17.224 1.00 71.24 O ATOM 730 CB LYS A 292 1.498 -19.473 17.964 1.00 51.41 C ATOM 731 CG LYS A 292 0.624 -20.726 17.886 1.00 63.34 C ATOM 732 CD LYS A 292 -0.357 -20.638 16.715 1.00 32.41 C ATOM 733 CE LYS A 292 -1.514 -21.623 16.895 1.00 71.44 C ATOM 734 NZ LYS A 292 -2.622 -20.991 17.646 1.00 45.14 N ATOM 0 H LYS A 292 3.064 -20.830 16.577 1.00 23.43 H new ATOM 0 HA LYS A 292 1.061 -18.830 16.006 1.00 12.04 H new ATOM 0 HB2 LYS A 292 2.362 -19.667 18.600 1.00 51.41 H new ATOM 0 HB3 LYS A 292 0.937 -18.662 18.428 1.00 51.41 H new ATOM 0 HG2 LYS A 292 1.255 -21.607 17.771 1.00 63.34 H new ATOM 0 HG3 LYS A 292 0.073 -20.848 18.818 1.00 63.34 H new ATOM 0 HD2 LYS A 292 -0.747 -19.623 16.638 1.00 32.41 H new ATOM 0 HD3 LYS A 292 0.165 -20.851 15.782 1.00 32.41 H new ATOM 0 HE2 LYS A 292 -1.871 -21.956 15.920 1.00 71.44 H new ATOM 0 HE3 LYS A 292 -1.166 -22.509 17.426 1.00 71.44 H new ATOM 0 HZ1 LYS A 292 -3.399 -21.674 17.759 1.00 45.14 H new ATOM 0 HZ2 LYS A 292 -2.282 -20.695 18.583 1.00 45.14 H new ATOM 0 HZ3 LYS A 292 -2.965 -20.159 17.124 1.00 45.14 H new ATOM 747 N MET A 293 2.322 -16.776 15.838 1.00 13.45 N ATOM 748 CA MET A 293 3.014 -15.502 15.747 1.00 44.44 C ATOM 749 C MET A 293 2.575 -14.556 16.867 1.00 74.35 C ATOM 750 O MET A 293 1.411 -14.561 17.267 1.00 65.04 O ATOM 751 CB MET A 293 2.721 -14.858 14.390 1.00 3.41 C ATOM 752 CG MET A 293 3.116 -15.790 13.244 1.00 65.45 C ATOM 753 SD MET A 293 2.288 -15.297 11.742 1.00 54.23 S ATOM 754 CE MET A 293 3.200 -13.812 11.358 1.00 43.43 C ATOM 0 H MET A 293 1.458 -16.831 15.299 1.00 13.45 H new ATOM 0 HA MET A 293 4.084 -15.683 15.850 1.00 44.44 H new ATOM 0 HB2 MET A 293 1.660 -14.618 14.319 1.00 3.41 H new ATOM 0 HB3 MET A 293 3.267 -13.918 14.304 1.00 3.41 H new ATOM 0 HG2 MET A 293 4.196 -15.764 13.099 1.00 65.45 H new ATOM 0 HG3 MET A 293 2.853 -16.818 13.493 1.00 65.45 H new ATOM 0 HE1 MET A 293 3.236 -13.676 10.277 1.00 43.43 H new ATOM 0 HE2 MET A 293 2.707 -12.954 11.815 1.00 43.43 H new ATOM 0 HE3 MET A 293 4.215 -13.897 11.747 1.00 43.43 H new ATOM 764 N GLY A 294 3.528 -13.768 17.341 1.00 62.13 N ATOM 765 CA GLY A 294 3.254 -12.819 18.406 1.00 32.45 C ATOM 766 C GLY A 294 1.907 -12.126 18.190 1.00 31.34 C ATOM 767 O GLY A 294 1.494 -11.905 17.053 1.00 32.41 O ATOM 0 H GLY A 294 4.492 -13.767 17.007 1.00 62.13 H new ATOM 0 HA2 GLY A 294 3.252 -13.335 19.366 1.00 32.45 H new ATOM 0 HA3 GLY A 294 4.048 -12.073 18.447 1.00 32.45 H new ATOM 771 N PRO A 295 1.242 -11.794 19.329 1.00 3.14 N ATOM 772 CA PRO A 295 -0.049 -11.131 19.276 1.00 53.52 C ATOM 773 C PRO A 295 0.107 -9.657 18.896 1.00 54.35 C ATOM 774 O PRO A 295 -0.857 -9.013 18.483 1.00 30.02 O ATOM 775 CB PRO A 295 -0.650 -11.327 20.658 1.00 72.00 C ATOM 776 CG PRO A 295 0.512 -11.685 21.571 1.00 54.24 C ATOM 777 CD PRO A 295 1.701 -12.040 20.693 1.00 10.05 C ATOM 0 HA PRO A 295 -0.703 -11.546 18.509 1.00 53.52 H new ATOM 0 HB2 PRO A 295 -1.149 -10.420 20.999 1.00 72.00 H new ATOM 0 HB3 PRO A 295 -1.399 -12.119 20.650 1.00 72.00 H new ATOM 0 HG2 PRO A 295 0.756 -10.848 22.224 1.00 54.24 H new ATOM 0 HG3 PRO A 295 0.248 -12.525 22.214 1.00 54.24 H new ATOM 0 HD2 PRO A 295 2.569 -11.427 20.935 1.00 10.05 H new ATOM 0 HD3 PRO A 295 1.997 -13.080 20.829 1.00 10.05 H new ATOM 785 N HIS A 296 1.328 -9.165 19.048 1.00 74.45 N ATOM 786 CA HIS A 296 1.622 -7.780 18.725 1.00 2.41 C ATOM 787 C HIS A 296 1.630 -7.597 17.206 1.00 2.41 C ATOM 788 O HIS A 296 1.355 -8.537 16.462 1.00 14.24 O ATOM 789 CB HIS A 296 2.930 -7.335 19.383 1.00 62.03 C ATOM 790 CG HIS A 296 4.117 -8.203 19.038 1.00 50.24 C ATOM 791 ND1 HIS A 296 5.151 -8.446 19.925 1.00 41.13 N ATOM 792 CD2 HIS A 296 4.422 -8.882 17.895 1.00 31.40 C ATOM 793 CE1 HIS A 296 6.034 -9.236 19.332 1.00 74.42 C ATOM 794 NE2 HIS A 296 5.580 -9.505 18.074 1.00 61.42 N ATOM 0 H HIS A 296 2.125 -9.701 19.391 1.00 74.45 H new ATOM 0 HA HIS A 296 0.842 -7.135 19.129 1.00 2.41 H new ATOM 0 HB2 HIS A 296 3.144 -6.309 19.085 1.00 62.03 H new ATOM 0 HB3 HIS A 296 2.798 -7.331 20.465 1.00 62.03 H new ATOM 0 HD2 HIS A 296 3.823 -8.908 16.997 1.00 31.40 H new ATOM 0 HE1 HIS A 296 6.952 -9.602 19.768 1.00 74.42 H new ATOM 0 HE2 HIS A 296 6.053 -10.089 17.384 1.00 61.42 H new ATOM 802 N GLU A 297 1.949 -6.380 16.791 1.00 41.35 N ATOM 803 CA GLU A 297 1.997 -6.061 15.374 1.00 74.24 C ATOM 804 C GLU A 297 3.448 -5.974 14.898 1.00 61.15 C ATOM 805 O GLU A 297 4.375 -6.064 15.701 1.00 1.21 O ATOM 806 CB GLU A 297 1.244 -4.762 15.078 1.00 31.40 C ATOM 807 CG GLU A 297 2.152 -3.546 15.270 1.00 63.32 C ATOM 808 CD GLU A 297 2.600 -3.421 16.727 1.00 23.14 C ATOM 809 OE1 GLU A 297 3.776 -3.127 16.992 1.00 73.44 O ATOM 810 OE2 GLU A 297 1.678 -3.640 17.602 1.00 13.21 O ATOM 0 H GLU A 297 2.177 -5.603 17.411 1.00 41.35 H new ATOM 0 HA GLU A 297 1.502 -6.862 14.825 1.00 74.24 H new ATOM 0 HB2 GLU A 297 0.867 -4.781 14.055 1.00 31.40 H new ATOM 0 HB3 GLU A 297 0.378 -4.681 15.735 1.00 31.40 H new ATOM 0 HG2 GLU A 297 3.025 -3.634 14.624 1.00 63.32 H new ATOM 0 HG3 GLU A 297 1.623 -2.642 14.970 1.00 63.32 H new ATOM 818 N ILE A 298 3.600 -5.800 13.593 1.00 60.41 N ATOM 819 CA ILE A 298 4.923 -5.700 13.000 1.00 31.23 C ATOM 820 C ILE A 298 5.211 -4.239 12.650 1.00 53.03 C ATOM 821 O ILE A 298 5.876 -3.535 13.408 1.00 52.55 O ATOM 822 CB ILE A 298 5.051 -6.655 11.811 1.00 1.43 C ATOM 823 CG1 ILE A 298 4.963 -8.113 12.267 1.00 51.34 C ATOM 824 CG2 ILE A 298 6.332 -6.377 11.021 1.00 34.32 C ATOM 825 CD1 ILE A 298 4.449 -9.009 11.138 1.00 22.33 C ATOM 0 H ILE A 298 2.829 -5.726 12.930 1.00 60.41 H new ATOM 0 HA ILE A 298 5.685 -6.013 13.714 1.00 31.23 H new ATOM 0 HB ILE A 298 4.212 -6.478 11.138 1.00 1.43 H new ATOM 0 HG12 ILE A 298 5.945 -8.457 12.591 1.00 51.34 H new ATOM 0 HG13 ILE A 298 4.299 -8.189 13.128 1.00 51.34 H new ATOM 0 HG21 ILE A 298 6.399 -7.069 10.182 1.00 34.32 H new ATOM 0 HG22 ILE A 298 6.314 -5.353 10.647 1.00 34.32 H new ATOM 0 HG23 ILE A 298 7.197 -6.510 11.671 1.00 34.32 H new ATOM 0 HD11 ILE A 298 4.396 -10.040 11.487 1.00 22.33 H new ATOM 0 HD12 ILE A 298 3.456 -8.677 10.833 1.00 22.33 H new ATOM 0 HD13 ILE A 298 5.128 -8.949 10.288 1.00 22.33 H new ATOM 837 N GLY A 299 4.695 -3.827 11.501 1.00 44.12 N ATOM 838 CA GLY A 299 4.889 -2.462 11.041 1.00 73.34 C ATOM 839 C GLY A 299 5.861 -2.414 9.860 1.00 74.32 C ATOM 840 O GLY A 299 6.641 -3.343 9.655 1.00 11.14 O ATOM 0 H GLY A 299 4.143 -4.414 10.875 1.00 44.12 H new ATOM 0 HA2 GLY A 299 3.931 -2.034 10.746 1.00 73.34 H new ATOM 0 HA3 GLY A 299 5.273 -1.850 11.858 1.00 73.34 H new ATOM 844 N ILE A 300 5.782 -1.322 9.114 1.00 75.44 N ATOM 845 CA ILE A 300 6.644 -1.141 7.959 1.00 65.13 C ATOM 846 C ILE A 300 8.097 -1.394 8.368 1.00 72.11 C ATOM 847 O ILE A 300 8.732 -2.324 7.874 1.00 73.54 O ATOM 848 CB ILE A 300 6.414 0.234 7.328 1.00 32.30 C ATOM 849 CG1 ILE A 300 5.030 0.314 6.680 1.00 42.42 C ATOM 850 CG2 ILE A 300 7.531 0.578 6.340 1.00 14.25 C ATOM 851 CD1 ILE A 300 4.878 1.605 5.872 1.00 73.21 C ATOM 0 H ILE A 300 5.134 -0.554 9.287 1.00 75.44 H new ATOM 0 HA ILE A 300 6.399 -1.867 7.184 1.00 65.13 H new ATOM 0 HB ILE A 300 6.443 0.983 8.119 1.00 32.30 H new ATOM 0 HG12 ILE A 300 4.879 -0.547 6.029 1.00 42.42 H new ATOM 0 HG13 ILE A 300 4.260 0.270 7.451 1.00 42.42 H new ATOM 0 HG21 ILE A 300 7.343 1.560 5.906 1.00 14.25 H new ATOM 0 HG22 ILE A 300 8.488 0.589 6.862 1.00 14.25 H new ATOM 0 HG23 ILE A 300 7.559 -0.170 5.547 1.00 14.25 H new ATOM 0 HD11 ILE A 300 3.886 1.638 5.422 1.00 73.21 H new ATOM 0 HD12 ILE A 300 5.006 2.464 6.531 1.00 73.21 H new ATOM 0 HD13 ILE A 300 5.634 1.634 5.087 1.00 73.21 H new ATOM 863 N LYS A 301 8.580 -0.550 9.267 1.00 45.30 N ATOM 864 CA LYS A 301 9.946 -0.670 9.748 1.00 22.14 C ATOM 865 C LYS A 301 10.082 -1.955 10.567 1.00 22.42 C ATOM 866 O LYS A 301 11.158 -2.549 10.623 1.00 71.45 O ATOM 867 CB LYS A 301 10.359 0.591 10.510 1.00 30.01 C ATOM 868 CG LYS A 301 11.062 1.586 9.584 1.00 74.32 C ATOM 869 CD LYS A 301 10.044 2.422 8.805 1.00 5.52 C ATOM 870 CE LYS A 301 10.605 3.810 8.488 1.00 54.41 C ATOM 871 NZ LYS A 301 10.682 4.632 9.717 1.00 73.51 N ATOM 0 H LYS A 301 8.050 0.220 9.675 1.00 45.30 H new ATOM 0 HA LYS A 301 10.639 -0.750 8.910 1.00 22.14 H new ATOM 0 HB2 LYS A 301 9.479 1.059 10.951 1.00 30.01 H new ATOM 0 HB3 LYS A 301 11.023 0.323 11.332 1.00 30.01 H new ATOM 0 HG2 LYS A 301 11.705 2.243 10.170 1.00 74.32 H new ATOM 0 HG3 LYS A 301 11.706 1.048 8.888 1.00 74.32 H new ATOM 0 HD2 LYS A 301 9.781 1.911 7.879 1.00 5.52 H new ATOM 0 HD3 LYS A 301 9.127 2.520 9.386 1.00 5.52 H new ATOM 0 HE2 LYS A 301 11.596 3.715 8.044 1.00 54.41 H new ATOM 0 HE3 LYS A 301 9.972 4.305 7.752 1.00 54.41 H new ATOM 0 HZ1 LYS A 301 10.681 5.640 9.461 1.00 73.51 H new ATOM 0 HZ2 LYS A 301 9.862 4.428 10.323 1.00 73.51 H new ATOM 0 HZ3 LYS A 301 11.557 4.407 10.231 1.00 73.51 H new ATOM 884 N GLY A 302 8.976 -2.347 11.183 1.00 42.23 N ATOM 885 CA GLY A 302 8.958 -3.551 11.996 1.00 5.31 C ATOM 886 C GLY A 302 9.116 -4.801 11.128 1.00 32.14 C ATOM 887 O GLY A 302 8.813 -4.776 9.936 1.00 11.05 O ATOM 0 H GLY A 302 8.086 -1.852 11.135 1.00 42.23 H new ATOM 0 HA2 GLY A 302 9.762 -3.510 12.731 1.00 5.31 H new ATOM 0 HA3 GLY A 302 8.022 -3.605 12.551 1.00 5.31 H new ATOM 891 N GLN A 303 9.589 -5.865 11.760 1.00 23.11 N ATOM 892 CA GLN A 303 9.790 -7.123 11.061 1.00 45.34 C ATOM 893 C GLN A 303 9.121 -8.267 11.824 1.00 71.54 C ATOM 894 O GLN A 303 8.653 -8.080 12.945 1.00 35.14 O ATOM 895 CB GLN A 303 11.280 -7.401 10.851 1.00 62.23 C ATOM 896 CG GLN A 303 11.978 -7.686 12.182 1.00 34.33 C ATOM 897 CD GLN A 303 13.477 -7.398 12.089 1.00 43.44 C ATOM 898 OE1 GLN A 303 13.933 -6.600 11.286 1.00 41.02 O ATOM 899 NE2 GLN A 303 14.216 -8.089 12.952 1.00 43.13 N ATOM 0 H GLN A 303 9.839 -5.882 12.749 1.00 23.11 H new ATOM 0 HA GLN A 303 9.326 -7.048 10.078 1.00 45.34 H new ATOM 0 HB2 GLN A 303 11.404 -8.252 10.182 1.00 62.23 H new ATOM 0 HB3 GLN A 303 11.749 -6.544 10.367 1.00 62.23 H new ATOM 0 HG2 GLN A 303 11.535 -7.074 12.967 1.00 34.33 H new ATOM 0 HG3 GLN A 303 11.821 -8.727 12.463 1.00 34.33 H new ATOM 0 HE21 GLN A 303 13.770 -8.741 13.597 1.00 43.13 H new ATOM 0 HE22 GLN A 303 15.229 -7.967 12.969 1.00 43.13 H new ATOM 908 N LYS A 304 9.097 -9.428 11.185 1.00 41.24 N ATOM 909 CA LYS A 304 8.493 -10.603 11.789 1.00 14.21 C ATOM 910 C LYS A 304 9.555 -11.692 11.951 1.00 4.50 C ATOM 911 O LYS A 304 10.629 -11.609 11.357 1.00 61.23 O ATOM 912 CB LYS A 304 7.271 -11.051 10.985 1.00 52.15 C ATOM 913 CG LYS A 304 6.415 -12.033 11.788 1.00 42.51 C ATOM 914 CD LYS A 304 6.071 -11.460 13.165 1.00 70.55 C ATOM 915 CE LYS A 304 4.895 -12.211 13.792 1.00 73.33 C ATOM 916 NZ LYS A 304 4.709 -11.799 15.201 1.00 30.20 N ATOM 0 H LYS A 304 9.486 -9.580 10.255 1.00 41.24 H new ATOM 0 HA LYS A 304 8.121 -10.369 12.787 1.00 14.21 H new ATOM 0 HB2 LYS A 304 6.673 -10.182 10.711 1.00 52.15 H new ATOM 0 HB3 LYS A 304 7.595 -11.521 10.056 1.00 52.15 H new ATOM 0 HG2 LYS A 304 5.498 -12.253 11.242 1.00 42.51 H new ATOM 0 HG3 LYS A 304 6.950 -12.976 11.905 1.00 42.51 H new ATOM 0 HD2 LYS A 304 6.941 -11.528 13.819 1.00 70.55 H new ATOM 0 HD3 LYS A 304 5.824 -10.403 13.072 1.00 70.55 H new ATOM 0 HE2 LYS A 304 3.985 -12.012 13.226 1.00 73.33 H new ATOM 0 HE3 LYS A 304 5.073 -13.285 13.742 1.00 73.33 H new ATOM 0 HZ1 LYS A 304 3.739 -12.022 15.503 1.00 30.20 H new ATOM 0 HZ2 LYS A 304 5.385 -12.309 15.804 1.00 30.20 H new ATOM 0 HZ3 LYS A 304 4.872 -10.775 15.288 1.00 30.20 H new ATOM 929 N GLU A 305 9.219 -12.687 12.759 1.00 40.44 N ATOM 930 CA GLU A 305 10.131 -13.790 13.006 1.00 20.42 C ATOM 931 C GLU A 305 9.353 -15.100 13.147 1.00 21.32 C ATOM 932 O GLU A 305 8.450 -15.204 13.975 1.00 14.35 O ATOM 933 CB GLU A 305 10.988 -13.526 14.245 1.00 4.24 C ATOM 934 CG GLU A 305 12.267 -12.770 13.877 1.00 72.53 C ATOM 935 CD GLU A 305 12.775 -11.943 15.059 1.00 25.52 C ATOM 936 OE1 GLU A 305 13.991 -11.881 15.295 1.00 63.13 O ATOM 937 OE2 GLU A 305 11.858 -11.351 15.745 1.00 14.01 O ATOM 0 H GLU A 305 8.328 -12.752 13.251 1.00 40.44 H new ATOM 0 HA GLU A 305 10.803 -13.879 12.152 1.00 20.42 H new ATOM 0 HB2 GLU A 305 10.416 -12.948 14.971 1.00 4.24 H new ATOM 0 HB3 GLU A 305 11.245 -14.472 14.722 1.00 4.24 H new ATOM 0 HG2 GLU A 305 13.036 -13.478 13.567 1.00 72.53 H new ATOM 0 HG3 GLU A 305 12.075 -12.116 13.027 1.00 72.53 H new ATOM 945 N LEU A 306 9.732 -16.068 12.326 1.00 64.03 N ATOM 946 CA LEU A 306 9.082 -17.367 12.348 1.00 14.04 C ATOM 947 C LEU A 306 10.144 -18.466 12.278 1.00 33.03 C ATOM 948 O LEU A 306 10.149 -19.271 11.348 1.00 12.12 O ATOM 949 CB LEU A 306 8.028 -17.458 11.242 1.00 25.12 C ATOM 950 CG LEU A 306 6.714 -16.720 11.505 1.00 62.10 C ATOM 951 CD1 LEU A 306 6.075 -16.255 10.195 1.00 22.10 C ATOM 952 CD2 LEU A 306 5.759 -17.580 12.335 1.00 20.11 C ATOM 0 H LEU A 306 10.482 -15.978 11.641 1.00 64.03 H new ATOM 0 HA LEU A 306 8.541 -17.506 13.284 1.00 14.04 H new ATOM 0 HB2 LEU A 306 8.462 -17.069 10.321 1.00 25.12 H new ATOM 0 HB3 LEU A 306 7.802 -18.510 11.068 1.00 25.12 H new ATOM 0 HG LEU A 306 6.935 -15.827 12.090 1.00 62.10 H new ATOM 0 HD11 LEU A 306 5.142 -15.733 10.410 1.00 22.10 H new ATOM 0 HD12 LEU A 306 6.757 -15.581 9.677 1.00 22.10 H new ATOM 0 HD13 LEU A 306 5.870 -17.119 9.563 1.00 22.10 H new ATOM 0 HD21 LEU A 306 4.833 -17.032 12.508 1.00 20.11 H new ATOM 0 HD22 LEU A 306 5.540 -18.503 11.798 1.00 20.11 H new ATOM 0 HD23 LEU A 306 6.223 -17.819 13.292 1.00 20.11 H new ATOM 964 N TRP A 307 11.018 -18.464 13.274 1.00 33.31 N ATOM 965 CA TRP A 307 12.082 -19.451 13.337 1.00 23.32 C ATOM 966 C TRP A 307 11.458 -20.797 13.712 1.00 10.25 C ATOM 967 O TRP A 307 10.632 -20.870 14.621 1.00 24.23 O ATOM 968 CB TRP A 307 13.181 -19.011 14.306 1.00 22.13 C ATOM 969 CG TRP A 307 12.657 -18.352 15.584 1.00 60.31 C ATOM 970 CD1 TRP A 307 12.638 -17.048 15.891 1.00 35.14 C ATOM 971 CD2 TRP A 307 12.074 -19.024 16.720 1.00 15.44 C ATOM 972 NE1 TRP A 307 12.086 -16.831 17.138 1.00 45.41 N ATOM 973 CE2 TRP A 307 11.733 -18.070 17.658 1.00 75.21 C ATOM 974 CE3 TRP A 307 11.841 -20.391 16.949 1.00 63.44 C ATOM 975 CZ2 TRP A 307 11.140 -18.382 18.887 1.00 11.45 C ATOM 976 CZ3 TRP A 307 11.248 -20.686 18.182 1.00 25.22 C ATOM 977 CH2 TRP A 307 10.899 -19.738 19.137 1.00 63.03 C ATOM 0 H TRP A 307 11.011 -17.795 14.044 1.00 33.31 H new ATOM 0 HA TRP A 307 12.571 -19.552 12.368 1.00 23.32 H new ATOM 0 HB2 TRP A 307 13.781 -19.880 14.577 1.00 22.13 H new ATOM 0 HB3 TRP A 307 13.844 -18.313 13.795 1.00 22.13 H new ATOM 0 HD1 TRP A 307 13.008 -16.266 15.245 1.00 35.14 H new ATOM 0 HE1 TRP A 307 11.960 -15.927 17.594 1.00 45.41 H new ATOM 0 HE3 TRP A 307 12.099 -21.154 16.230 1.00 63.44 H new ATOM 0 HZ2 TRP A 307 10.882 -17.617 19.604 1.00 11.45 H new ATOM 0 HZ3 TRP A 307 11.047 -21.723 18.407 1.00 25.22 H new ATOM 0 HH2 TRP A 307 10.444 -20.046 20.067 1.00 63.03 H new ATOM 988 N PHE A 308 11.876 -21.828 12.994 1.00 64.14 N ATOM 989 CA PHE A 308 11.369 -23.167 13.240 1.00 74.13 C ATOM 990 C PHE A 308 12.515 -24.154 13.472 1.00 74.03 C ATOM 991 O PHE A 308 13.673 -23.841 13.201 1.00 53.15 O ATOM 992 CB PHE A 308 10.594 -23.588 11.990 1.00 72.45 C ATOM 993 CG PHE A 308 10.224 -25.073 11.957 1.00 4.22 C ATOM 994 CD1 PHE A 308 9.068 -25.498 12.533 1.00 70.41 C ATOM 995 CD2 PHE A 308 11.052 -25.967 11.353 1.00 43.41 C ATOM 996 CE1 PHE A 308 8.725 -26.876 12.503 1.00 41.00 C ATOM 997 CE2 PHE A 308 10.709 -27.344 11.323 1.00 24.30 C ATOM 998 CZ PHE A 308 9.553 -27.770 11.899 1.00 40.13 C ATOM 0 H PHE A 308 12.561 -21.763 12.241 1.00 64.14 H new ATOM 0 HA PHE A 308 10.739 -23.169 14.129 1.00 74.13 H new ATOM 0 HB2 PHE A 308 9.682 -22.995 11.924 1.00 72.45 H new ATOM 0 HB3 PHE A 308 11.191 -23.353 11.109 1.00 72.45 H new ATOM 0 HD1 PHE A 308 8.411 -24.788 13.013 1.00 70.41 H new ATOM 0 HD2 PHE A 308 11.970 -25.629 10.896 1.00 43.41 H new ATOM 0 HE1 PHE A 308 7.807 -27.214 12.960 1.00 41.00 H new ATOM 0 HE2 PHE A 308 11.366 -28.054 10.843 1.00 24.30 H new ATOM 0 HZ PHE A 308 9.293 -28.818 11.877 1.00 40.13 H new ATOM 1008 N PHE A 309 12.151 -25.326 13.971 1.00 25.22 N ATOM 1009 CA PHE A 309 13.135 -26.361 14.243 1.00 52.02 C ATOM 1010 C PHE A 309 12.621 -27.734 13.805 1.00 31.14 C ATOM 1011 O PHE A 309 11.414 -27.944 13.698 1.00 53.31 O ATOM 1012 CB PHE A 309 13.365 -26.374 15.755 1.00 14.43 C ATOM 1013 CG PHE A 309 12.158 -25.906 16.572 1.00 41.11 C ATOM 1014 CD1 PHE A 309 11.736 -24.616 16.484 1.00 43.01 C ATOM 1015 CD2 PHE A 309 11.508 -26.780 17.386 1.00 74.13 C ATOM 1016 CE1 PHE A 309 10.617 -24.182 17.242 1.00 55.13 C ATOM 1017 CE2 PHE A 309 10.388 -26.346 18.143 1.00 31.14 C ATOM 1018 CZ PHE A 309 9.966 -25.056 18.055 1.00 30.25 C ATOM 0 H PHE A 309 11.189 -25.582 14.194 1.00 25.22 H new ATOM 0 HA PHE A 309 14.054 -26.154 13.694 1.00 52.02 H new ATOM 0 HB2 PHE A 309 13.629 -27.385 16.063 1.00 14.43 H new ATOM 0 HB3 PHE A 309 14.218 -25.736 15.988 1.00 14.43 H new ATOM 0 HD1 PHE A 309 12.252 -23.922 15.837 1.00 43.01 H new ATOM 0 HD2 PHE A 309 11.844 -27.804 17.457 1.00 74.13 H new ATOM 0 HE1 PHE A 309 10.283 -23.157 17.173 1.00 55.13 H new ATOM 0 HE2 PHE A 309 9.871 -27.040 18.789 1.00 31.14 H new ATOM 0 HZ PHE A 309 9.114 -24.726 18.631 1.00 30.25 H new ATOM 1028 N PRO A 310 13.588 -28.658 13.559 1.00 40.13 N ATOM 1029 CA PRO A 310 14.995 -28.327 13.710 1.00 32.44 C ATOM 1030 C PRO A 310 15.482 -27.457 12.550 1.00 12.12 C ATOM 1031 O PRO A 310 16.234 -26.506 12.756 1.00 23.02 O ATOM 1032 CB PRO A 310 15.708 -29.668 13.787 1.00 13.44 C ATOM 1033 CG PRO A 310 14.739 -30.689 13.212 1.00 3.54 C ATOM 1034 CD PRO A 310 13.369 -30.036 13.130 1.00 32.34 C ATOM 0 HA PRO A 310 15.194 -27.733 14.602 1.00 32.44 H new ATOM 0 HB2 PRO A 310 16.638 -29.649 13.219 1.00 13.44 H new ATOM 0 HB3 PRO A 310 15.968 -29.913 14.817 1.00 13.44 H new ATOM 0 HG2 PRO A 310 15.067 -31.013 12.224 1.00 3.54 H new ATOM 0 HG3 PRO A 310 14.701 -31.577 13.843 1.00 3.54 H new ATOM 0 HD2 PRO A 310 12.971 -30.076 12.116 1.00 32.34 H new ATOM 0 HD3 PRO A 310 12.650 -30.542 13.775 1.00 32.34 H new ATOM 1042 N SER A 311 15.032 -27.813 11.356 1.00 63.22 N ATOM 1043 CA SER A 311 15.413 -27.076 10.163 1.00 73.33 C ATOM 1044 C SER A 311 14.900 -27.799 8.915 1.00 31.25 C ATOM 1045 O SER A 311 14.886 -29.028 8.868 1.00 74.32 O ATOM 1046 CB SER A 311 16.930 -26.898 10.086 1.00 2.52 C ATOM 1047 OG SER A 311 17.627 -28.091 10.434 1.00 74.34 O ATOM 0 H SER A 311 14.407 -28.602 11.189 1.00 63.22 H new ATOM 0 HA SER A 311 14.960 -26.086 10.214 1.00 73.33 H new ATOM 0 HB2 SER A 311 17.209 -26.597 9.076 1.00 2.52 H new ATOM 0 HB3 SER A 311 17.235 -26.092 10.754 1.00 2.52 H new ATOM 0 HG SER A 311 18.593 -27.936 10.371 1.00 74.34 H new ATOM 1053 N LEU A 312 14.491 -27.005 7.937 1.00 64.45 N ATOM 1054 CA LEU A 312 13.979 -27.554 6.692 1.00 21.24 C ATOM 1055 C LEU A 312 14.917 -27.170 5.546 1.00 14.31 C ATOM 1056 O LEU A 312 15.688 -26.218 5.663 1.00 74.55 O ATOM 1057 CB LEU A 312 12.529 -27.120 6.472 1.00 35.25 C ATOM 1058 CG LEU A 312 11.494 -27.736 7.417 1.00 52.52 C ATOM 1059 CD1 LEU A 312 11.189 -26.795 8.584 1.00 54.42 C ATOM 1060 CD2 LEU A 312 10.228 -28.136 6.657 1.00 55.31 C ATOM 0 H LEU A 312 14.503 -25.986 7.981 1.00 64.45 H new ATOM 0 HA LEU A 312 13.958 -28.643 6.736 1.00 21.24 H new ATOM 0 HB2 LEU A 312 12.477 -26.035 6.565 1.00 35.25 H new ATOM 0 HB3 LEU A 312 12.248 -27.366 5.448 1.00 35.25 H new ATOM 0 HG LEU A 312 11.917 -28.647 7.840 1.00 52.52 H new ATOM 0 HD11 LEU A 312 10.451 -27.256 9.240 1.00 54.42 H new ATOM 0 HD12 LEU A 312 12.104 -26.603 9.145 1.00 54.42 H new ATOM 0 HD13 LEU A 312 10.795 -25.854 8.199 1.00 54.42 H new ATOM 0 HD21 LEU A 312 9.509 -28.571 7.351 1.00 55.31 H new ATOM 0 HD22 LEU A 312 9.792 -27.254 6.188 1.00 55.31 H new ATOM 0 HD23 LEU A 312 10.480 -28.868 5.890 1.00 55.31 H new ATOM 1072 N PRO A 313 14.817 -27.949 4.436 1.00 21.11 N ATOM 1073 CA PRO A 313 15.647 -27.700 3.270 1.00 52.23 C ATOM 1074 C PRO A 313 15.153 -26.475 2.497 1.00 75.54 C ATOM 1075 O PRO A 313 13.956 -26.190 2.478 1.00 3.34 O ATOM 1076 CB PRO A 313 15.579 -28.983 2.457 1.00 11.42 C ATOM 1077 CG PRO A 313 14.352 -29.728 2.957 1.00 23.31 C ATOM 1078 CD PRO A 313 13.915 -29.084 4.263 1.00 63.14 C ATOM 0 HA PRO A 313 16.679 -27.464 3.531 1.00 52.23 H new ATOM 0 HB2 PRO A 313 15.498 -28.767 1.392 1.00 11.42 H new ATOM 0 HB3 PRO A 313 16.481 -29.580 2.593 1.00 11.42 H new ATOM 0 HG2 PRO A 313 13.550 -29.680 2.221 1.00 23.31 H new ATOM 0 HG3 PRO A 313 14.582 -30.783 3.110 1.00 23.31 H new ATOM 0 HD2 PRO A 313 12.875 -28.760 4.216 1.00 63.14 H new ATOM 0 HD3 PRO A 313 13.994 -29.783 5.095 1.00 63.14 H new ATOM 1086 N THR A 314 16.098 -25.785 1.877 1.00 65.32 N ATOM 1087 CA THR A 314 15.774 -24.598 1.104 1.00 62.42 C ATOM 1088 C THR A 314 16.419 -24.672 -0.282 1.00 14.22 C ATOM 1089 O THR A 314 17.317 -25.480 -0.511 1.00 31.34 O ATOM 1090 CB THR A 314 16.209 -23.374 1.912 1.00 21.42 C ATOM 1091 OG1 THR A 314 17.200 -23.880 2.803 1.00 71.55 O ATOM 1092 CG2 THR A 314 15.104 -22.861 2.837 1.00 1.25 C ATOM 0 H THR A 314 17.089 -26.025 1.894 1.00 65.32 H new ATOM 0 HA THR A 314 14.701 -24.523 0.925 1.00 62.42 H new ATOM 0 HB THR A 314 16.511 -22.578 1.231 1.00 21.42 H new ATOM 0 HG1 THR A 314 17.927 -23.228 2.888 1.00 71.55 H new ATOM 0 HG21 THR A 314 15.464 -21.992 3.387 1.00 1.25 H new ATOM 0 HG22 THR A 314 14.234 -22.580 2.243 1.00 1.25 H new ATOM 0 HG23 THR A 314 14.825 -23.646 3.540 1.00 1.25 H new ATOM 1100 N PRO A 315 15.922 -23.794 -1.194 1.00 12.11 N ATOM 1101 CA PRO A 315 14.858 -22.870 -0.841 1.00 15.13 C ATOM 1102 C PRO A 315 13.512 -23.592 -0.751 1.00 74.14 C ATOM 1103 O PRO A 315 13.442 -24.808 -0.926 1.00 45.34 O ATOM 1104 CB PRO A 315 14.888 -21.802 -1.922 1.00 62.53 C ATOM 1105 CG PRO A 315 15.652 -22.411 -3.087 1.00 3.00 C ATOM 1106 CD PRO A 315 16.358 -23.658 -2.580 1.00 45.04 C ATOM 0 HA PRO A 315 14.998 -22.424 0.144 1.00 15.13 H new ATOM 0 HB2 PRO A 315 13.878 -21.520 -2.221 1.00 62.53 H new ATOM 0 HB3 PRO A 315 15.378 -20.897 -1.564 1.00 62.53 H new ATOM 0 HG2 PRO A 315 14.971 -22.662 -3.901 1.00 3.00 H new ATOM 0 HG3 PRO A 315 16.375 -21.698 -3.484 1.00 3.00 H new ATOM 0 HD2 PRO A 315 16.085 -24.534 -3.168 1.00 45.04 H new ATOM 0 HD3 PRO A 315 17.441 -23.554 -2.646 1.00 45.04 H new ATOM 1114 N LEU A 316 12.475 -22.813 -0.479 1.00 61.01 N ATOM 1115 CA LEU A 316 11.135 -23.363 -0.365 1.00 21.05 C ATOM 1116 C LEU A 316 10.353 -23.059 -1.644 1.00 14.04 C ATOM 1117 O LEU A 316 9.252 -22.513 -1.587 1.00 50.32 O ATOM 1118 CB LEU A 316 10.454 -22.855 0.908 1.00 25.22 C ATOM 1119 CG LEU A 316 11.186 -23.144 2.221 1.00 74.22 C ATOM 1120 CD1 LEU A 316 11.187 -21.914 3.130 1.00 14.12 C ATOM 1121 CD2 LEU A 316 10.596 -24.372 2.918 1.00 11.10 C ATOM 0 H LEU A 316 12.536 -21.805 -0.334 1.00 61.01 H new ATOM 0 HA LEU A 316 11.175 -24.448 -0.266 1.00 21.05 H new ATOM 0 HB2 LEU A 316 10.320 -21.777 0.819 1.00 25.22 H new ATOM 0 HB3 LEU A 316 9.459 -23.296 0.965 1.00 25.22 H new ATOM 0 HG LEU A 316 12.226 -23.374 1.990 1.00 74.22 H new ATOM 0 HD11 LEU A 316 11.713 -22.146 4.056 1.00 14.12 H new ATOM 0 HD12 LEU A 316 11.689 -21.089 2.625 1.00 14.12 H new ATOM 0 HD13 LEU A 316 10.160 -21.629 3.358 1.00 14.12 H new ATOM 0 HD21 LEU A 316 11.134 -24.556 3.848 1.00 11.10 H new ATOM 0 HD22 LEU A 316 9.543 -24.195 3.136 1.00 11.10 H new ATOM 0 HD23 LEU A 316 10.691 -25.241 2.266 1.00 11.10 H new ATOM 1133 N SER A 317 10.952 -23.426 -2.767 1.00 75.00 N ATOM 1134 CA SER A 317 10.324 -23.199 -4.058 1.00 65.30 C ATOM 1135 C SER A 317 9.210 -24.223 -4.285 1.00 40.34 C ATOM 1136 O SER A 317 9.435 -25.427 -4.170 1.00 13.53 O ATOM 1137 CB SER A 317 11.352 -23.273 -5.190 1.00 15.14 C ATOM 1138 OG SER A 317 11.421 -24.575 -5.764 1.00 32.21 O ATOM 0 H SER A 317 11.865 -23.879 -2.810 1.00 75.00 H new ATOM 0 HA SER A 317 9.894 -22.198 -4.058 1.00 65.30 H new ATOM 0 HB2 SER A 317 11.093 -22.549 -5.963 1.00 15.14 H new ATOM 0 HB3 SER A 317 12.333 -22.993 -4.807 1.00 15.14 H new ATOM 0 HG SER A 317 12.087 -24.581 -6.483 1.00 32.21 H new ATOM 1144 N ASN A 318 8.032 -23.706 -4.605 1.00 24.42 N ATOM 1145 CA ASN A 318 6.882 -24.560 -4.849 1.00 64.24 C ATOM 1146 C ASN A 318 6.262 -24.969 -3.512 1.00 3.23 C ATOM 1147 O ASN A 318 5.697 -26.055 -3.391 1.00 45.22 O ATOM 1148 CB ASN A 318 7.291 -25.835 -5.590 1.00 74.12 C ATOM 1149 CG ASN A 318 6.117 -26.403 -6.391 1.00 64.33 C ATOM 1150 OD1 ASN A 318 5.117 -25.746 -6.627 1.00 32.22 O ATOM 1151 ND2 ASN A 318 6.295 -27.658 -6.795 1.00 44.23 N ATOM 0 H ASN A 318 7.850 -22.707 -4.701 1.00 24.42 H new ATOM 0 HA ASN A 318 6.170 -24.001 -5.457 1.00 64.24 H new ATOM 0 HB2 ASN A 318 8.123 -25.620 -6.260 1.00 74.12 H new ATOM 0 HB3 ASN A 318 7.642 -26.579 -4.875 1.00 74.12 H new ATOM 0 HD21 ASN A 318 5.569 -28.127 -7.337 1.00 44.23 H new ATOM 0 HD22 ASN A 318 7.157 -28.151 -6.563 1.00 44.23 H new ATOM 1158 N TYR A 319 6.389 -24.077 -2.540 1.00 55.33 N ATOM 1159 CA TYR A 319 5.847 -24.331 -1.216 1.00 5.21 C ATOM 1160 C TYR A 319 4.639 -23.435 -0.936 1.00 74.44 C ATOM 1161 O TYR A 319 4.383 -22.484 -1.673 1.00 74.31 O ATOM 1162 CB TYR A 319 6.964 -23.982 -0.230 1.00 43.11 C ATOM 1163 CG TYR A 319 8.050 -25.053 -0.115 1.00 63.45 C ATOM 1164 CD1 TYR A 319 8.680 -25.522 -1.251 1.00 2.22 C ATOM 1165 CD2 TYR A 319 8.400 -25.552 1.123 1.00 0.30 C ATOM 1166 CE1 TYR A 319 9.702 -26.530 -1.143 1.00 24.31 C ATOM 1167 CE2 TYR A 319 9.422 -26.560 1.231 1.00 62.31 C ATOM 1168 CZ TYR A 319 10.023 -27.000 0.093 1.00 51.34 C ATOM 1169 OH TYR A 319 10.988 -27.952 0.194 1.00 23.35 O ATOM 0 H TYR A 319 6.859 -23.178 -2.643 1.00 55.33 H new ATOM 0 HA TYR A 319 5.519 -25.367 -1.128 1.00 5.21 H new ATOM 0 HB2 TYR A 319 7.425 -23.043 -0.537 1.00 43.11 H new ATOM 0 HB3 TYR A 319 6.527 -23.816 0.754 1.00 43.11 H new ATOM 0 HD1 TYR A 319 8.406 -25.133 -2.220 1.00 2.22 H new ATOM 0 HD2 TYR A 319 7.907 -25.186 2.011 1.00 0.30 H new ATOM 0 HE1 TYR A 319 10.203 -26.905 -2.023 1.00 24.31 H new ATOM 0 HE2 TYR A 319 9.705 -26.958 2.194 1.00 62.31 H new ATOM 0 HH TYR A 319 11.113 -28.192 1.136 1.00 23.35 H new ATOM 1179 N THR A 320 3.928 -23.772 0.130 1.00 55.42 N ATOM 1180 CA THR A 320 2.752 -23.010 0.516 1.00 52.12 C ATOM 1181 C THR A 320 3.161 -21.736 1.257 1.00 5.20 C ATOM 1182 O THR A 320 2.847 -20.630 0.819 1.00 62.20 O ATOM 1183 CB THR A 320 1.844 -23.926 1.338 1.00 30.35 C ATOM 1184 OG1 THR A 320 1.393 -24.900 0.401 1.00 35.12 O ATOM 1185 CG2 THR A 320 0.562 -23.225 1.794 1.00 64.40 C ATOM 0 H THR A 320 4.143 -24.562 0.738 1.00 55.42 H new ATOM 0 HA THR A 320 2.194 -22.675 -0.358 1.00 52.12 H new ATOM 0 HB THR A 320 2.389 -24.289 2.210 1.00 30.35 H new ATOM 0 HG1 THR A 320 0.799 -25.536 0.851 1.00 35.12 H new ATOM 0 HG21 THR A 320 -0.046 -23.920 2.373 1.00 64.40 H new ATOM 0 HG22 THR A 320 0.818 -22.364 2.412 1.00 64.40 H new ATOM 0 HG23 THR A 320 0.000 -22.891 0.922 1.00 64.40 H new ATOM 1193 N MET A 321 3.857 -21.933 2.367 1.00 31.13 N ATOM 1194 CA MET A 321 4.313 -20.814 3.174 1.00 51.33 C ATOM 1195 C MET A 321 3.393 -19.603 3.001 1.00 23.12 C ATOM 1196 O MET A 321 3.716 -18.674 2.262 1.00 73.41 O ATOM 1197 CB MET A 321 5.737 -20.435 2.763 1.00 24.41 C ATOM 1198 CG MET A 321 6.550 -21.678 2.394 1.00 31.30 C ATOM 1199 SD MET A 321 8.212 -21.532 3.029 1.00 52.25 S ATOM 1200 CE MET A 321 8.695 -19.985 2.279 1.00 35.32 C ATOM 0 H MET A 321 4.116 -22.852 2.727 1.00 31.13 H new ATOM 0 HA MET A 321 4.295 -21.115 4.222 1.00 51.33 H new ATOM 0 HB2 MET A 321 5.705 -19.752 1.914 1.00 24.41 H new ATOM 0 HB3 MET A 321 6.226 -19.905 3.580 1.00 24.41 H new ATOM 0 HG2 MET A 321 6.073 -22.569 2.802 1.00 31.30 H new ATOM 0 HG3 MET A 321 6.575 -21.798 1.311 1.00 31.30 H new ATOM 0 HE1 MET A 321 9.457 -20.170 1.522 1.00 35.32 H new ATOM 0 HE2 MET A 321 7.826 -19.520 1.813 1.00 35.32 H new ATOM 0 HE3 MET A 321 9.096 -19.320 3.043 1.00 35.32 H new ATOM 1210 N LYS A 322 2.266 -19.653 3.696 1.00 42.40 N ATOM 1211 CA LYS A 322 1.298 -18.572 3.629 1.00 54.40 C ATOM 1212 C LYS A 322 1.235 -17.864 4.984 1.00 34.42 C ATOM 1213 O LYS A 322 2.056 -18.124 5.863 1.00 53.24 O ATOM 1214 CB LYS A 322 -0.056 -19.094 3.145 1.00 72.54 C ATOM 1215 CG LYS A 322 -0.303 -20.520 3.643 1.00 55.14 C ATOM 1216 CD LYS A 322 -1.763 -20.929 3.431 1.00 25.23 C ATOM 1217 CE LYS A 322 -1.916 -22.451 3.468 1.00 62.00 C ATOM 1218 NZ LYS A 322 -3.279 -22.824 3.909 1.00 64.25 N ATOM 0 H LYS A 322 2.002 -20.425 4.308 1.00 42.40 H new ATOM 0 HA LYS A 322 1.608 -17.829 2.895 1.00 54.40 H new ATOM 0 HB2 LYS A 322 -0.851 -18.438 3.500 1.00 72.54 H new ATOM 0 HB3 LYS A 322 -0.089 -19.074 2.056 1.00 72.54 H new ATOM 0 HG2 LYS A 322 0.353 -21.212 3.115 1.00 55.14 H new ATOM 0 HG3 LYS A 322 -0.052 -20.588 4.702 1.00 55.14 H new ATOM 0 HD2 LYS A 322 -2.387 -20.478 4.203 1.00 25.23 H new ATOM 0 HD3 LYS A 322 -2.116 -20.547 2.473 1.00 25.23 H new ATOM 0 HE2 LYS A 322 -1.721 -22.866 2.479 1.00 62.00 H new ATOM 0 HE3 LYS A 322 -1.178 -22.880 4.145 1.00 62.00 H new ATOM 0 HZ1 LYS A 322 -3.366 -23.860 3.929 1.00 64.25 H new ATOM 0 HZ2 LYS A 322 -3.452 -22.444 4.861 1.00 64.25 H new ATOM 0 HZ3 LYS A 322 -3.978 -22.430 3.247 1.00 64.25 H new ATOM 1231 N VAL A 323 0.252 -16.985 5.112 1.00 41.34 N ATOM 1232 CA VAL A 323 0.071 -16.238 6.345 1.00 22.20 C ATOM 1233 C VAL A 323 -1.417 -16.199 6.699 1.00 61.02 C ATOM 1234 O VAL A 323 -2.262 -16.021 5.823 1.00 33.32 O ATOM 1235 CB VAL A 323 0.690 -14.846 6.209 1.00 3.45 C ATOM 1236 CG1 VAL A 323 0.566 -14.061 7.517 1.00 5.10 C ATOM 1237 CG2 VAL A 323 2.150 -14.936 5.760 1.00 10.11 C ATOM 0 H VAL A 323 -0.428 -16.773 4.382 1.00 41.34 H new ATOM 0 HA VAL A 323 0.588 -16.730 7.169 1.00 22.20 H new ATOM 0 HB VAL A 323 0.136 -14.307 5.440 1.00 3.45 H new ATOM 0 HG11 VAL A 323 1.014 -13.075 7.393 1.00 5.10 H new ATOM 0 HG12 VAL A 323 -0.487 -13.951 7.777 1.00 5.10 H new ATOM 0 HG13 VAL A 323 1.083 -14.597 8.313 1.00 5.10 H new ATOM 0 HG21 VAL A 323 2.566 -13.932 5.671 1.00 10.11 H new ATOM 0 HG22 VAL A 323 2.722 -15.502 6.495 1.00 10.11 H new ATOM 0 HG23 VAL A 323 2.203 -15.438 4.794 1.00 10.11 H new ATOM 1247 N VAL A 324 -1.691 -16.368 7.984 1.00 75.01 N ATOM 1248 CA VAL A 324 -3.063 -16.354 8.464 1.00 22.32 C ATOM 1249 C VAL A 324 -3.215 -15.264 9.527 1.00 74.21 C ATOM 1250 O VAL A 324 -2.340 -15.091 10.374 1.00 73.12 O ATOM 1251 CB VAL A 324 -3.453 -17.744 8.972 1.00 12.45 C ATOM 1252 CG1 VAL A 324 -2.267 -18.433 9.650 1.00 12.20 C ATOM 1253 CG2 VAL A 324 -4.654 -17.664 9.917 1.00 32.31 C ATOM 0 H VAL A 324 -0.987 -16.515 8.707 1.00 75.01 H new ATOM 0 HA VAL A 324 -3.750 -16.115 7.652 1.00 22.32 H new ATOM 0 HB VAL A 324 -3.743 -18.347 8.111 1.00 12.45 H new ATOM 0 HG11 VAL A 324 -2.571 -19.419 10.002 1.00 12.20 H new ATOM 0 HG12 VAL A 324 -1.451 -18.539 8.936 1.00 12.20 H new ATOM 0 HG13 VAL A 324 -1.933 -17.833 10.496 1.00 12.20 H new ATOM 0 HG21 VAL A 324 -4.911 -18.665 10.264 1.00 32.31 H new ATOM 0 HG22 VAL A 324 -4.403 -17.037 10.772 1.00 32.31 H new ATOM 0 HG23 VAL A 324 -5.505 -17.233 9.389 1.00 32.31 H new ATOM 1263 N ASN A 325 -4.333 -14.558 9.448 1.00 53.53 N ATOM 1264 CA ASN A 325 -4.612 -13.489 10.392 1.00 22.02 C ATOM 1265 C ASN A 325 -5.063 -14.095 11.723 1.00 61.04 C ATOM 1266 O ASN A 325 -4.977 -15.306 11.918 1.00 22.40 O ATOM 1267 CB ASN A 325 -5.733 -12.581 9.882 1.00 64.20 C ATOM 1268 CG ASN A 325 -5.171 -11.258 9.358 1.00 1.13 C ATOM 1269 OD1 ASN A 325 -5.502 -10.797 8.278 1.00 21.31 O ATOM 1270 ND2 ASN A 325 -4.305 -10.674 10.182 1.00 62.33 N ATOM 0 H ASN A 325 -5.057 -14.705 8.745 1.00 53.53 H new ATOM 0 HA ASN A 325 -3.702 -12.902 10.515 1.00 22.02 H new ATOM 0 HB2 ASN A 325 -6.283 -13.087 9.088 1.00 64.20 H new ATOM 0 HB3 ASN A 325 -6.442 -12.386 10.686 1.00 64.20 H new ATOM 0 HD21 ASN A 325 -3.874 -9.786 9.924 1.00 62.33 H new ATOM 0 HD22 ASN A 325 -4.072 -11.114 11.072 1.00 62.33 H new ATOM 1277 N GLN A 326 -5.534 -13.225 12.603 1.00 12.52 N ATOM 1278 CA GLN A 326 -5.999 -13.659 13.910 1.00 51.33 C ATOM 1279 C GLN A 326 -7.405 -14.253 13.802 1.00 1.14 C ATOM 1280 O GLN A 326 -8.011 -14.608 14.812 1.00 53.11 O ATOM 1281 CB GLN A 326 -5.967 -12.505 14.914 1.00 24.33 C ATOM 1282 CG GLN A 326 -7.069 -11.487 14.616 1.00 30.11 C ATOM 1283 CD GLN A 326 -7.327 -10.588 15.827 1.00 43.33 C ATOM 1284 OE1 GLN A 326 -8.248 -10.792 16.599 1.00 35.15 O ATOM 1285 NE2 GLN A 326 -6.463 -9.583 15.948 1.00 32.41 N ATOM 0 H GLN A 326 -5.604 -12.221 12.437 1.00 12.52 H new ATOM 0 HA GLN A 326 -5.325 -14.434 14.276 1.00 51.33 H new ATOM 0 HB2 GLN A 326 -6.090 -12.894 15.925 1.00 24.33 H new ATOM 0 HB3 GLN A 326 -4.994 -12.014 14.878 1.00 24.33 H new ATOM 0 HG2 GLN A 326 -6.783 -10.876 13.760 1.00 30.11 H new ATOM 0 HG3 GLN A 326 -7.987 -12.008 14.344 1.00 30.11 H new ATOM 0 HE21 GLN A 326 -5.714 -9.470 15.265 1.00 32.41 H new ATOM 0 HE22 GLN A 326 -6.550 -8.926 16.723 1.00 32.41 H new ATOM 1294 N ASP A 327 -7.882 -14.343 12.570 1.00 52.23 N ATOM 1295 CA ASP A 327 -9.205 -14.888 12.317 1.00 13.04 C ATOM 1296 C ASP A 327 -9.079 -16.363 11.933 1.00 74.42 C ATOM 1297 O ASP A 327 -10.084 -17.044 11.732 1.00 70.20 O ATOM 1298 CB ASP A 327 -9.892 -14.155 11.163 1.00 21.40 C ATOM 1299 CG ASP A 327 -10.633 -12.876 11.558 1.00 21.53 C ATOM 1300 OD1 ASP A 327 -10.024 -11.807 11.709 1.00 15.51 O ATOM 1301 OD2 ASP A 327 -11.906 -13.010 11.715 1.00 73.52 O ATOM 0 H ASP A 327 -7.376 -14.048 11.735 1.00 52.23 H new ATOM 0 HA ASP A 327 -9.798 -14.768 13.224 1.00 13.04 H new ATOM 0 HB2 ASP A 327 -9.141 -13.905 10.413 1.00 21.40 H new ATOM 0 HB3 ASP A 327 -10.600 -14.836 10.690 1.00 21.40 H new ATOM 1307 N GLY A 328 -7.837 -16.814 11.842 1.00 61.33 N ATOM 1308 CA GLY A 328 -7.567 -18.197 11.485 1.00 44.43 C ATOM 1309 C GLY A 328 -8.026 -18.494 10.056 1.00 50.21 C ATOM 1310 O GLY A 328 -8.797 -19.425 9.829 1.00 54.30 O ATOM 0 H GLY A 328 -7.006 -16.247 12.009 1.00 61.33 H new ATOM 0 HA2 GLY A 328 -6.500 -18.398 11.577 1.00 44.43 H new ATOM 0 HA3 GLY A 328 -8.078 -18.862 12.181 1.00 44.43 H new ATOM 1314 N GLU A 329 -7.533 -17.685 9.130 1.00 64.35 N ATOM 1315 CA GLU A 329 -7.883 -17.850 7.729 1.00 42.11 C ATOM 1316 C GLU A 329 -6.810 -17.223 6.836 1.00 1.13 C ATOM 1317 O GLU A 329 -6.526 -16.031 6.945 1.00 60.12 O ATOM 1318 CB GLU A 329 -9.260 -17.252 7.434 1.00 4.40 C ATOM 1319 CG GLU A 329 -9.160 -15.747 7.178 1.00 40.54 C ATOM 1320 CD GLU A 329 -10.547 -15.102 7.152 1.00 13.31 C ATOM 1321 OE1 GLU A 329 -10.685 -13.914 7.481 1.00 41.15 O ATOM 1322 OE2 GLU A 329 -11.504 -15.880 6.773 1.00 25.32 O ATOM 0 H GLU A 329 -6.894 -16.913 9.322 1.00 64.35 H new ATOM 0 HA GLU A 329 -7.932 -18.917 7.510 1.00 42.11 H new ATOM 0 HB2 GLU A 329 -9.696 -17.744 6.565 1.00 4.40 H new ATOM 0 HB3 GLU A 329 -9.929 -17.438 8.274 1.00 4.40 H new ATOM 0 HG2 GLU A 329 -8.553 -15.282 7.955 1.00 40.54 H new ATOM 0 HG3 GLU A 329 -8.654 -15.569 6.229 1.00 40.54 H new ATOM 1330 N THR A 330 -6.243 -18.054 5.974 1.00 10.01 N ATOM 1331 CA THR A 330 -5.208 -17.596 5.063 1.00 3.13 C ATOM 1332 C THR A 330 -5.611 -16.266 4.423 1.00 71.54 C ATOM 1333 O THR A 330 -6.587 -16.204 3.677 1.00 53.42 O ATOM 1334 CB THR A 330 -4.949 -18.708 4.044 1.00 4.55 C ATOM 1335 OG1 THR A 330 -4.609 -19.838 4.843 1.00 42.11 O ATOM 1336 CG2 THR A 330 -3.694 -18.453 3.206 1.00 12.12 C ATOM 0 H THR A 330 -6.481 -19.042 5.887 1.00 10.01 H new ATOM 0 HA THR A 330 -4.276 -17.397 5.591 1.00 3.13 H new ATOM 0 HB THR A 330 -5.812 -18.805 3.385 1.00 4.55 H new ATOM 0 HG1 THR A 330 -4.583 -20.640 4.281 1.00 42.11 H new ATOM 0 HG21 THR A 330 -3.556 -19.271 2.499 1.00 12.12 H new ATOM 0 HG22 THR A 330 -3.805 -17.516 2.660 1.00 12.12 H new ATOM 0 HG23 THR A 330 -2.825 -18.390 3.862 1.00 12.12 H new ATOM 1344 N ILE A 331 -4.839 -15.237 4.737 1.00 52.51 N ATOM 1345 CA ILE A 331 -5.104 -13.912 4.201 1.00 1.02 C ATOM 1346 C ILE A 331 -4.186 -13.658 3.004 1.00 43.00 C ATOM 1347 O ILE A 331 -4.616 -13.102 1.994 1.00 24.43 O ATOM 1348 CB ILE A 331 -4.986 -12.856 5.302 1.00 51.44 C ATOM 1349 CG1 ILE A 331 -3.541 -12.731 5.790 1.00 73.31 C ATOM 1350 CG2 ILE A 331 -5.956 -13.148 6.449 1.00 64.24 C ATOM 1351 CD1 ILE A 331 -3.384 -11.542 6.739 1.00 42.51 C ATOM 0 H ILE A 331 -4.030 -15.293 5.356 1.00 52.51 H new ATOM 0 HA ILE A 331 -6.129 -13.846 3.836 1.00 1.02 H new ATOM 0 HB ILE A 331 -5.268 -11.891 4.881 1.00 51.44 H new ATOM 0 HG12 ILE A 331 -3.244 -13.648 6.299 1.00 73.31 H new ATOM 0 HG13 ILE A 331 -2.874 -12.610 4.936 1.00 73.31 H new ATOM 0 HG21 ILE A 331 -5.851 -12.382 7.218 1.00 64.24 H new ATOM 0 HG22 ILE A 331 -6.978 -13.145 6.071 1.00 64.24 H new ATOM 0 HG23 ILE A 331 -5.730 -14.125 6.877 1.00 64.24 H new ATOM 0 HD11 ILE A 331 -2.348 -11.476 7.071 1.00 42.51 H new ATOM 0 HD12 ILE A 331 -3.658 -10.624 6.220 1.00 42.51 H new ATOM 0 HD13 ILE A 331 -4.034 -11.678 7.603 1.00 42.51 H new ATOM 1363 N LEU A 332 -2.938 -14.077 3.156 1.00 11.04 N ATOM 1364 CA LEU A 332 -1.955 -13.902 2.100 1.00 15.24 C ATOM 1365 C LEU A 332 -1.224 -15.225 1.866 1.00 4.21 C ATOM 1366 O LEU A 332 -1.349 -16.157 2.659 1.00 12.32 O ATOM 1367 CB LEU A 332 -1.024 -12.732 2.424 1.00 24.42 C ATOM 1368 CG LEU A 332 -1.462 -11.362 1.905 1.00 13.53 C ATOM 1369 CD1 LEU A 332 -0.387 -10.306 2.169 1.00 11.42 C ATOM 1370 CD2 LEU A 332 -1.845 -11.432 0.426 1.00 73.23 C ATOM 0 H LEU A 332 -2.585 -14.537 3.995 1.00 11.04 H new ATOM 0 HA LEU A 332 -2.445 -13.639 1.162 1.00 15.24 H new ATOM 0 HB2 LEU A 332 -0.914 -12.670 3.507 1.00 24.42 H new ATOM 0 HB3 LEU A 332 -0.038 -12.955 2.016 1.00 24.42 H new ATOM 0 HG LEU A 332 -2.353 -11.059 2.454 1.00 13.53 H new ATOM 0 HD11 LEU A 332 -0.724 -9.341 1.790 1.00 11.42 H new ATOM 0 HD12 LEU A 332 -0.206 -10.232 3.241 1.00 11.42 H new ATOM 0 HD13 LEU A 332 0.536 -10.592 1.664 1.00 11.42 H new ATOM 0 HD21 LEU A 332 -2.153 -10.444 0.083 1.00 73.23 H new ATOM 0 HD22 LEU A 332 -0.987 -11.768 -0.157 1.00 73.23 H new ATOM 0 HD23 LEU A 332 -2.669 -12.134 0.296 1.00 73.23 H new ATOM 1382 N VAL A 333 -0.475 -15.265 0.774 1.00 51.13 N ATOM 1383 CA VAL A 333 0.277 -16.458 0.425 1.00 20.21 C ATOM 1384 C VAL A 333 1.508 -16.060 -0.392 1.00 55.32 C ATOM 1385 O VAL A 333 1.383 -15.429 -1.441 1.00 10.12 O ATOM 1386 CB VAL A 333 -0.628 -17.453 -0.304 1.00 74.10 C ATOM 1387 CG1 VAL A 333 -2.070 -17.354 0.200 1.00 44.22 C ATOM 1388 CG2 VAL A 333 -0.562 -17.247 -1.819 1.00 25.14 C ATOM 0 H VAL A 333 -0.373 -14.490 0.119 1.00 51.13 H new ATOM 0 HA VAL A 333 0.633 -16.961 1.324 1.00 20.21 H new ATOM 0 HB VAL A 333 -0.265 -18.457 -0.086 1.00 74.10 H new ATOM 0 HG11 VAL A 333 -2.692 -18.072 -0.334 1.00 44.22 H new ATOM 0 HG12 VAL A 333 -2.098 -17.573 1.267 1.00 44.22 H new ATOM 0 HG13 VAL A 333 -2.448 -16.346 0.027 1.00 44.22 H new ATOM 0 HG21 VAL A 333 -1.214 -17.967 -2.313 1.00 25.14 H new ATOM 0 HG22 VAL A 333 -0.887 -16.236 -2.063 1.00 25.14 H new ATOM 0 HG23 VAL A 333 0.463 -17.391 -2.162 1.00 25.14 H new ATOM 1398 N GLY A 334 2.668 -16.444 0.119 1.00 72.31 N ATOM 1399 CA GLY A 334 3.920 -16.135 -0.550 1.00 72.05 C ATOM 1400 C GLY A 334 4.094 -16.987 -1.809 1.00 74.14 C ATOM 1401 O GLY A 334 4.094 -18.215 -1.737 1.00 24.01 O ATOM 0 H GLY A 334 2.767 -16.967 0.989 1.00 72.31 H new ATOM 0 HA2 GLY A 334 3.943 -15.078 -0.816 1.00 72.05 H new ATOM 0 HA3 GLY A 334 4.753 -16.311 0.130 1.00 72.05 H new ATOM 1405 N LYS A 335 4.237 -16.302 -2.934 1.00 54.41 N ATOM 1406 CA LYS A 335 4.411 -16.980 -4.207 1.00 73.21 C ATOM 1407 C LYS A 335 5.433 -18.107 -4.044 1.00 33.12 C ATOM 1408 O LYS A 335 5.397 -19.093 -4.778 1.00 63.22 O ATOM 1409 CB LYS A 335 4.772 -15.977 -5.304 1.00 51.22 C ATOM 1410 CG LYS A 335 6.283 -15.743 -5.357 1.00 40.24 C ATOM 1411 CD LYS A 335 6.741 -14.852 -4.201 1.00 30.23 C ATOM 1412 CE LYS A 335 8.234 -14.536 -4.310 1.00 51.22 C ATOM 1413 NZ LYS A 335 8.608 -14.284 -5.720 1.00 2.32 N ATOM 0 H LYS A 335 4.236 -15.284 -2.990 1.00 54.41 H new ATOM 0 HA LYS A 335 3.475 -17.440 -4.524 1.00 73.21 H new ATOM 0 HB2 LYS A 335 4.424 -16.346 -6.268 1.00 51.22 H new ATOM 0 HB3 LYS A 335 4.260 -15.032 -5.121 1.00 51.22 H new ATOM 0 HG2 LYS A 335 6.804 -16.699 -5.312 1.00 40.24 H new ATOM 0 HG3 LYS A 335 6.550 -15.279 -6.306 1.00 40.24 H new ATOM 0 HD2 LYS A 335 6.168 -13.925 -4.203 1.00 30.23 H new ATOM 0 HD3 LYS A 335 6.539 -15.349 -3.252 1.00 30.23 H new ATOM 0 HE2 LYS A 335 8.472 -13.663 -3.703 1.00 51.22 H new ATOM 0 HE3 LYS A 335 8.818 -15.368 -3.916 1.00 51.22 H new ATOM 0 HZ1 LYS A 335 9.583 -13.924 -5.762 1.00 2.32 H new ATOM 0 HZ2 LYS A 335 8.543 -15.170 -6.260 1.00 2.32 H new ATOM 0 HZ3 LYS A 335 7.961 -13.581 -6.130 1.00 2.32 H new ATOM 1426 N CYS A 336 6.319 -17.923 -3.076 1.00 61.25 N ATOM 1427 CA CYS A 336 7.349 -18.912 -2.807 1.00 62.14 C ATOM 1428 C CYS A 336 8.001 -19.301 -4.136 1.00 35.10 C ATOM 1429 O CYS A 336 7.729 -20.374 -4.674 1.00 3.51 O ATOM 1430 CB CYS A 336 6.786 -20.129 -2.070 1.00 4.21 C ATOM 1431 SG CYS A 336 7.740 -20.428 -0.537 1.00 11.52 S ATOM 0 H CYS A 336 6.345 -17.104 -2.469 1.00 61.25 H new ATOM 0 HA CYS A 336 8.102 -18.485 -2.145 1.00 62.14 H new ATOM 0 HB2 CYS A 336 5.736 -19.965 -1.829 1.00 4.21 H new ATOM 0 HB3 CYS A 336 6.831 -21.007 -2.714 1.00 4.21 H new ATOM 0 HG CYS A 336 8.662 -21.315 -0.766 1.00 11.52 H new ATOM 1437 N ALA A 337 8.847 -18.408 -4.627 1.00 63.21 N ATOM 1438 CA ALA A 337 9.539 -18.645 -5.883 1.00 4.34 C ATOM 1439 C ALA A 337 10.866 -19.353 -5.603 1.00 22.41 C ATOM 1440 O ALA A 337 11.160 -19.701 -4.460 1.00 12.50 O ATOM 1441 CB ALA A 337 9.731 -17.317 -6.618 1.00 4.32 C ATOM 0 H ALA A 337 9.069 -17.519 -4.178 1.00 63.21 H new ATOM 0 HA ALA A 337 8.949 -19.294 -6.530 1.00 4.34 H new ATOM 0 HB1 ALA A 337 10.250 -17.494 -7.560 1.00 4.32 H new ATOM 0 HB2 ALA A 337 8.758 -16.868 -6.819 1.00 4.32 H new ATOM 0 HB3 ALA A 337 10.322 -16.641 -6.000 1.00 4.32 H new ATOM 1447 N ASP A 338 11.632 -19.547 -6.666 1.00 65.33 N ATOM 1448 CA ASP A 338 12.921 -20.208 -6.550 1.00 21.44 C ATOM 1449 C ASP A 338 13.935 -19.236 -5.944 1.00 23.23 C ATOM 1450 O ASP A 338 14.928 -18.891 -6.583 1.00 11.22 O ATOM 1451 CB ASP A 338 13.443 -20.643 -7.920 1.00 44.24 C ATOM 1452 CG ASP A 338 14.897 -21.120 -7.937 1.00 41.52 C ATOM 1453 OD1 ASP A 338 15.338 -21.857 -7.043 1.00 11.32 O ATOM 1454 OD2 ASP A 338 15.598 -20.697 -8.935 1.00 32.42 O ATOM 0 H ASP A 338 11.385 -19.258 -7.612 1.00 65.33 H new ATOM 0 HA ASP A 338 12.793 -21.087 -5.918 1.00 21.44 H new ATOM 0 HB2 ASP A 338 12.809 -21.446 -8.295 1.00 44.24 H new ATOM 0 HB3 ASP A 338 13.343 -19.807 -8.612 1.00 44.24 H new ATOM 1460 N SER A 339 13.651 -18.822 -4.718 1.00 34.23 N ATOM 1461 CA SER A 339 14.526 -17.897 -4.018 1.00 55.43 C ATOM 1462 C SER A 339 14.085 -17.762 -2.559 1.00 44.42 C ATOM 1463 O SER A 339 12.903 -17.900 -2.248 1.00 64.12 O ATOM 1464 CB SER A 339 14.535 -16.526 -4.699 1.00 35.41 C ATOM 1465 OG SER A 339 15.332 -16.522 -5.880 1.00 74.32 O ATOM 0 H SER A 339 12.827 -19.110 -4.191 1.00 34.23 H new ATOM 0 HA SER A 339 15.540 -18.295 -4.049 1.00 55.43 H new ATOM 0 HB2 SER A 339 13.514 -16.239 -4.950 1.00 35.41 H new ATOM 0 HB3 SER A 339 14.914 -15.778 -4.003 1.00 35.41 H new ATOM 0 HG SER A 339 15.610 -17.438 -6.090 1.00 74.32 H new ATOM 1471 N ASN A 340 15.060 -17.493 -1.703 1.00 1.10 N ATOM 1472 CA ASN A 340 14.788 -17.338 -0.284 1.00 42.31 C ATOM 1473 C ASN A 340 13.811 -16.178 -0.080 1.00 61.23 C ATOM 1474 O ASN A 340 13.142 -16.099 0.949 1.00 4.30 O ATOM 1475 CB ASN A 340 16.068 -17.019 0.490 1.00 5.34 C ATOM 1476 CG ASN A 340 17.023 -18.214 0.488 1.00 63.24 C ATOM 1477 OD1 ASN A 340 16.851 -19.177 -0.241 1.00 63.42 O ATOM 1478 ND2 ASN A 340 18.037 -18.099 1.341 1.00 33.01 N ATOM 0 H ASN A 340 16.039 -17.378 -1.965 1.00 1.10 H new ATOM 0 HA ASN A 340 14.368 -18.274 0.083 1.00 42.31 H new ATOM 0 HB2 ASN A 340 16.561 -16.155 0.044 1.00 5.34 H new ATOM 0 HB3 ASN A 340 15.819 -16.750 1.516 1.00 5.34 H new ATOM 0 HD21 ASN A 340 18.730 -18.844 1.413 1.00 33.01 H new ATOM 0 HD22 ASN A 340 18.122 -17.265 1.923 1.00 33.01 H new ATOM 1485 N GLU A 341 13.759 -15.308 -1.078 1.00 3.31 N ATOM 1486 CA GLU A 341 12.875 -14.156 -1.021 1.00 61.11 C ATOM 1487 C GLU A 341 11.438 -14.574 -1.337 1.00 73.41 C ATOM 1488 O GLU A 341 11.214 -15.504 -2.111 1.00 31.01 O ATOM 1489 CB GLU A 341 13.347 -13.055 -1.972 1.00 43.24 C ATOM 1490 CG GLU A 341 14.393 -12.162 -1.301 1.00 52.24 C ATOM 1491 CD GLU A 341 14.920 -11.107 -2.276 1.00 70.04 C ATOM 1492 OE1 GLU A 341 15.910 -11.354 -2.981 1.00 74.15 O ATOM 1493 OE2 GLU A 341 14.262 -9.997 -2.287 1.00 63.31 O ATOM 0 H GLU A 341 14.315 -15.378 -1.931 1.00 3.31 H new ATOM 0 HA GLU A 341 12.901 -13.752 -0.009 1.00 61.11 H new ATOM 0 HB2 GLU A 341 13.769 -13.503 -2.872 1.00 43.24 H new ATOM 0 HB3 GLU A 341 12.496 -12.451 -2.286 1.00 43.24 H new ATOM 0 HG2 GLU A 341 13.954 -11.672 -0.432 1.00 52.24 H new ATOM 0 HG3 GLU A 341 15.220 -12.773 -0.939 1.00 52.24 H new ATOM 1501 N ILE A 342 10.501 -13.868 -0.722 1.00 52.43 N ATOM 1502 CA ILE A 342 9.091 -14.154 -0.928 1.00 42.14 C ATOM 1503 C ILE A 342 8.291 -12.853 -0.829 1.00 63.55 C ATOM 1504 O ILE A 342 8.580 -12.005 0.013 1.00 22.43 O ATOM 1505 CB ILE A 342 8.619 -15.242 0.038 1.00 15.31 C ATOM 1506 CG1 ILE A 342 9.480 -16.500 -0.089 1.00 12.02 C ATOM 1507 CG2 ILE A 342 7.131 -15.543 -0.160 1.00 5.41 C ATOM 1508 CD1 ILE A 342 9.034 -17.572 0.908 1.00 63.25 C ATOM 0 H ILE A 342 10.690 -13.098 -0.080 1.00 52.43 H new ATOM 0 HA ILE A 342 8.925 -14.554 -1.928 1.00 42.14 H new ATOM 0 HB ILE A 342 8.740 -14.871 1.056 1.00 15.31 H new ATOM 0 HG12 ILE A 342 9.411 -16.891 -1.104 1.00 12.02 H new ATOM 0 HG13 ILE A 342 10.526 -16.248 0.086 1.00 12.02 H new ATOM 0 HG21 ILE A 342 6.821 -16.320 0.539 1.00 5.41 H new ATOM 0 HG22 ILE A 342 6.550 -14.639 0.021 1.00 5.41 H new ATOM 0 HG23 ILE A 342 6.962 -15.885 -1.181 1.00 5.41 H new ATOM 0 HD11 ILE A 342 9.662 -18.456 0.797 1.00 63.25 H new ATOM 0 HD12 ILE A 342 9.127 -17.186 1.923 1.00 63.25 H new ATOM 0 HD13 ILE A 342 7.995 -17.839 0.715 1.00 63.25 H new ATOM 1520 N THR A 343 7.301 -12.737 -1.702 1.00 64.24 N ATOM 1521 CA THR A 343 6.458 -11.554 -1.724 1.00 33.40 C ATOM 1522 C THR A 343 4.987 -11.951 -1.871 1.00 43.20 C ATOM 1523 O THR A 343 4.506 -12.165 -2.983 1.00 5.52 O ATOM 1524 CB THR A 343 6.955 -10.639 -2.844 1.00 62.15 C ATOM 1525 OG1 THR A 343 6.460 -11.247 -4.035 1.00 2.34 O ATOM 1526 CG2 THR A 343 8.476 -10.686 -3.007 1.00 51.10 C ATOM 0 H THR A 343 7.064 -13.443 -2.399 1.00 64.24 H new ATOM 0 HA THR A 343 6.522 -11.005 -0.785 1.00 33.40 H new ATOM 0 HB THR A 343 6.643 -9.615 -2.641 1.00 62.15 H new ATOM 0 HG1 THR A 343 5.490 -11.369 -3.961 1.00 2.34 H new ATOM 0 HG21 THR A 343 8.776 -10.019 -3.815 1.00 51.10 H new ATOM 0 HG22 THR A 343 8.951 -10.369 -2.079 1.00 51.10 H new ATOM 0 HG23 THR A 343 8.785 -11.704 -3.243 1.00 51.10 H new ATOM 1534 N LEU A 344 4.314 -12.037 -0.733 1.00 63.11 N ATOM 1535 CA LEU A 344 2.908 -12.404 -0.721 1.00 64.11 C ATOM 1536 C LEU A 344 2.150 -11.536 -1.727 1.00 45.42 C ATOM 1537 O LEU A 344 2.570 -10.419 -2.029 1.00 35.25 O ATOM 1538 CB LEU A 344 2.347 -12.330 0.700 1.00 25.25 C ATOM 1539 CG LEU A 344 2.730 -13.481 1.633 1.00 25.03 C ATOM 1540 CD1 LEU A 344 4.250 -13.649 1.701 1.00 34.14 C ATOM 1541 CD2 LEU A 344 2.112 -13.292 3.020 1.00 51.12 C ATOM 0 H LEU A 344 4.716 -11.859 0.187 1.00 63.11 H new ATOM 0 HA LEU A 344 2.782 -13.440 -1.035 1.00 64.11 H new ATOM 0 HB2 LEU A 344 2.680 -11.396 1.152 1.00 25.25 H new ATOM 0 HB3 LEU A 344 1.260 -12.285 0.638 1.00 25.25 H new ATOM 0 HG LEU A 344 2.322 -14.404 1.222 1.00 25.03 H new ATOM 0 HD11 LEU A 344 4.495 -14.473 2.371 1.00 34.14 H new ATOM 0 HD12 LEU A 344 4.637 -13.863 0.705 1.00 34.14 H new ATOM 0 HD13 LEU A 344 4.701 -12.730 2.076 1.00 34.14 H new ATOM 0 HD21 LEU A 344 2.400 -14.124 3.663 1.00 51.12 H new ATOM 0 HD22 LEU A 344 2.469 -12.358 3.453 1.00 51.12 H new ATOM 0 HD23 LEU A 344 1.026 -13.260 2.933 1.00 51.12 H new ATOM 1553 N LYS A 345 1.048 -12.081 -2.219 1.00 71.30 N ATOM 1554 CA LYS A 345 0.228 -11.370 -3.185 1.00 34.31 C ATOM 1555 C LYS A 345 -1.226 -11.366 -2.708 1.00 11.44 C ATOM 1556 O LYS A 345 -1.716 -10.353 -2.209 1.00 73.44 O ATOM 1557 CB LYS A 345 0.414 -11.961 -4.584 1.00 34.21 C ATOM 1558 CG LYS A 345 0.825 -13.433 -4.507 1.00 41.12 C ATOM 1559 CD LYS A 345 2.340 -13.571 -4.342 1.00 51.30 C ATOM 1560 CE LYS A 345 3.083 -12.773 -5.415 1.00 43.21 C ATOM 1561 NZ LYS A 345 2.421 -12.930 -6.729 1.00 41.34 N ATOM 0 H LYS A 345 0.703 -13.007 -1.967 1.00 71.30 H new ATOM 0 HA LYS A 345 0.543 -10.329 -3.259 1.00 34.31 H new ATOM 0 HB2 LYS A 345 -0.514 -11.868 -5.148 1.00 34.21 H new ATOM 0 HB3 LYS A 345 1.174 -11.395 -5.124 1.00 34.21 H new ATOM 0 HG2 LYS A 345 0.319 -13.912 -3.669 1.00 41.12 H new ATOM 0 HG3 LYS A 345 0.505 -13.951 -5.411 1.00 41.12 H new ATOM 0 HD2 LYS A 345 2.635 -13.220 -3.353 1.00 51.30 H new ATOM 0 HD3 LYS A 345 2.622 -14.622 -4.405 1.00 51.30 H new ATOM 0 HE2 LYS A 345 3.111 -11.719 -5.139 1.00 43.21 H new ATOM 0 HE3 LYS A 345 4.117 -13.113 -5.479 1.00 43.21 H new ATOM 0 HZ1 LYS A 345 3.113 -12.766 -7.488 1.00 41.34 H new ATOM 0 HZ2 LYS A 345 2.038 -13.893 -6.812 1.00 41.34 H new ATOM 0 HZ3 LYS A 345 1.647 -12.241 -6.812 1.00 41.34 H new ATOM 1574 N SER A 346 -1.875 -12.508 -2.877 1.00 24.42 N ATOM 1575 CA SER A 346 -3.262 -12.649 -2.470 1.00 14.25 C ATOM 1576 C SER A 346 -3.870 -13.901 -3.104 1.00 62.42 C ATOM 1577 O SER A 346 -3.682 -14.153 -4.293 1.00 43.24 O ATOM 1578 CB SER A 346 -4.077 -11.411 -2.853 1.00 24.53 C ATOM 1579 OG SER A 346 -3.763 -10.951 -4.164 1.00 43.12 O ATOM 0 H SER A 346 -1.465 -13.345 -3.291 1.00 24.42 H new ATOM 0 HA SER A 346 -3.291 -12.749 -1.385 1.00 14.25 H new ATOM 0 HB2 SER A 346 -5.140 -11.645 -2.796 1.00 24.53 H new ATOM 0 HB3 SER A 346 -3.886 -10.614 -2.134 1.00 24.53 H new ATOM 0 HG SER A 346 -4.304 -10.161 -4.372 1.00 43.12 H new ATOM 1585 N PRO A 347 -4.605 -14.674 -2.261 1.00 32.14 N ATOM 1586 CA PRO A 347 -5.242 -15.894 -2.727 1.00 25.45 C ATOM 1587 C PRO A 347 -6.478 -15.580 -3.572 1.00 24.22 C ATOM 1588 O PRO A 347 -6.470 -15.776 -4.786 1.00 43.51 O ATOM 1589 CB PRO A 347 -5.568 -16.675 -1.464 1.00 12.33 C ATOM 1590 CG PRO A 347 -5.527 -15.665 -0.328 1.00 35.42 C ATOM 1591 CD PRO A 347 -4.850 -14.408 -0.846 1.00 44.41 C ATOM 0 HA PRO A 347 -4.600 -16.478 -3.386 1.00 25.45 H new ATOM 0 HB2 PRO A 347 -6.550 -17.142 -1.536 1.00 12.33 H new ATOM 0 HB3 PRO A 347 -4.846 -17.475 -1.302 1.00 12.33 H new ATOM 0 HG2 PRO A 347 -6.535 -15.440 0.019 1.00 35.42 H new ATOM 0 HG3 PRO A 347 -4.980 -16.070 0.523 1.00 35.42 H new ATOM 0 HD2 PRO A 347 -5.485 -13.532 -0.712 1.00 44.41 H new ATOM 0 HD3 PRO A 347 -3.920 -14.211 -0.313 1.00 44.41 H new ATOM 1599 N LEU A 348 -7.510 -15.098 -2.896 1.00 33.31 N ATOM 1600 CA LEU A 348 -8.751 -14.755 -3.570 1.00 11.14 C ATOM 1601 C LEU A 348 -8.784 -13.248 -3.832 1.00 44.11 C ATOM 1602 O LEU A 348 -9.156 -12.469 -2.956 1.00 34.42 O ATOM 1603 CB LEU A 348 -9.953 -15.266 -2.773 1.00 22.44 C ATOM 1604 CG LEU A 348 -11.289 -15.293 -3.517 1.00 72.12 C ATOM 1605 CD1 LEU A 348 -11.126 -15.894 -4.915 1.00 33.14 C ATOM 1606 CD2 LEU A 348 -12.357 -16.023 -2.700 1.00 54.23 C ATOM 0 H LEU A 348 -7.513 -14.937 -1.889 1.00 33.31 H new ATOM 0 HA LEU A 348 -8.807 -15.250 -4.540 1.00 11.14 H new ATOM 0 HB2 LEU A 348 -9.732 -16.276 -2.428 1.00 22.44 H new ATOM 0 HB3 LEU A 348 -10.067 -14.643 -1.886 1.00 22.44 H new ATOM 0 HG LEU A 348 -11.629 -14.265 -3.646 1.00 72.12 H new ATOM 0 HD11 LEU A 348 -12.091 -15.902 -5.423 1.00 33.14 H new ATOM 0 HD12 LEU A 348 -10.419 -15.295 -5.488 1.00 33.14 H new ATOM 0 HD13 LEU A 348 -10.752 -16.914 -4.831 1.00 33.14 H new ATOM 0 HD21 LEU A 348 -13.297 -16.028 -3.252 1.00 54.23 H new ATOM 0 HD22 LEU A 348 -12.038 -17.049 -2.518 1.00 54.23 H new ATOM 0 HD23 LEU A 348 -12.498 -15.513 -1.747 1.00 54.23 H new