USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 400 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 44 SER OG : rot 180:sc= 0.98 USER MOD Set 1.2: A 57 THR OG1 : rot -70:sc= 1.16 USER MOD Set 2.1: A 40 ASN : amide:sc= 0.887 X(o=1.6,f=1.7) USER MOD Set 2.2: A 41 SER OG : rot 34:sc= 0.719 USER MOD Single : A 13 ASN : amide:sc= -0.496 K(o=-0.5,f=-4.3!) USER MOD Single : A 16 SER OG : rot 66:sc= 0.834 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.833 K(o=0.83,f=-9.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -3.39! C(o=-3.4!,f=-4.1!) USER MOD Single : A 32 GLN : amide:sc= -0.461! C(o=-0.46!,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ -127:sc= 0.155 (180deg=-2.25!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.931 K(o=0.93,f=-4.9!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.98) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 107:sc= -0.889 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 140:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0428) USER MOD ----------------------------------------------------------------- ATOM 154 N ALA A 11 -3.504 0.027 -12.477 1.00 71.23 N ATOM 155 CA ALA A 11 -2.221 0.651 -12.164 1.00 40.42 C ATOM 156 C ALA A 11 -1.730 0.219 -10.778 1.00 72.32 C ATOM 157 O ALA A 11 -2.031 -0.881 -10.311 1.00 53.44 O ATOM 158 CB ALA A 11 -2.347 2.168 -12.238 1.00 33.13 C ATOM 0 HA ALA A 11 -1.487 0.323 -12.899 1.00 40.42 H new ATOM 0 HB1 ALA A 11 -1.386 2.625 -12.003 1.00 33.13 H new ATOM 0 HB2 ALA A 11 -2.651 2.459 -13.243 1.00 33.13 H new ATOM 0 HB3 ALA A 11 -3.094 2.506 -11.520 1.00 33.13 H new ATOM 164 N LEU A 12 -0.947 1.072 -10.133 1.00 42.14 N ATOM 165 CA LEU A 12 -0.429 0.791 -8.795 1.00 3.43 C ATOM 166 C LEU A 12 -1.516 0.957 -7.719 1.00 70.02 C ATOM 167 O LEU A 12 -1.245 1.421 -6.618 1.00 71.03 O ATOM 168 CB LEU A 12 0.781 1.689 -8.484 1.00 51.31 C ATOM 169 CG LEU A 12 0.541 3.205 -8.549 1.00 53.13 C ATOM 170 CD1 LEU A 12 1.618 3.937 -7.768 1.00 72.23 C ATOM 171 CD2 LEU A 12 0.533 3.697 -9.991 1.00 53.45 C ATOM 0 H LEU A 12 -0.653 1.971 -10.515 1.00 42.14 H new ATOM 0 HA LEU A 12 -0.106 -0.250 -8.779 1.00 3.43 H new ATOM 0 HB2 LEU A 12 1.142 1.443 -7.485 1.00 51.31 H new ATOM 0 HB3 LEU A 12 1.580 1.439 -9.182 1.00 51.31 H new ATOM 0 HG LEU A 12 -0.434 3.411 -8.107 1.00 53.13 H new ATOM 0 HD11 LEU A 12 1.439 5.011 -7.820 1.00 72.23 H new ATOM 0 HD12 LEU A 12 1.595 3.615 -6.727 1.00 72.23 H new ATOM 0 HD13 LEU A 12 2.595 3.711 -8.196 1.00 72.23 H new ATOM 0 HD21 LEU A 12 0.361 4.773 -10.007 1.00 53.45 H new ATOM 0 HD22 LEU A 12 1.494 3.476 -10.456 1.00 53.45 H new ATOM 0 HD23 LEU A 12 -0.262 3.194 -10.543 1.00 53.45 H new ATOM 183 N ASN A 13 -2.728 0.512 -8.038 1.00 73.02 N ATOM 184 CA ASN A 13 -3.888 0.688 -7.162 1.00 63.44 C ATOM 185 C ASN A 13 -3.782 -0.142 -5.884 1.00 61.55 C ATOM 186 O ASN A 13 -3.902 0.383 -4.781 1.00 21.41 O ATOM 187 CB ASN A 13 -5.180 0.306 -7.899 1.00 12.15 C ATOM 188 CG ASN A 13 -5.452 1.161 -9.127 1.00 52.23 C ATOM 189 OD1 ASN A 13 -4.532 1.656 -9.773 1.00 33.32 O ATOM 190 ND2 ASN A 13 -6.722 1.326 -9.464 1.00 4.14 N ATOM 0 H ASN A 13 -2.936 0.021 -8.907 1.00 73.02 H new ATOM 0 HA ASN A 13 -3.911 1.741 -6.883 1.00 63.44 H new ATOM 0 HB2 ASN A 13 -5.122 -0.740 -8.200 1.00 12.15 H new ATOM 0 HB3 ASN A 13 -6.021 0.394 -7.211 1.00 12.15 H new ATOM 0 HD21 ASN A 13 -6.964 1.880 -10.285 1.00 4.14 H new ATOM 0 HD22 ASN A 13 -7.458 0.899 -8.902 1.00 4.14 H new ATOM 197 N VAL A 14 -3.579 -1.445 -6.042 1.00 21.02 N ATOM 198 CA VAL A 14 -3.559 -2.370 -4.909 1.00 34.31 C ATOM 199 C VAL A 14 -2.294 -3.221 -4.978 1.00 23.23 C ATOM 200 O VAL A 14 -2.201 -4.288 -4.375 1.00 42.11 O ATOM 201 CB VAL A 14 -4.804 -3.299 -4.926 1.00 51.41 C ATOM 202 CG1 VAL A 14 -5.003 -3.981 -3.580 1.00 64.35 C ATOM 203 CG2 VAL A 14 -6.060 -2.530 -5.318 1.00 24.35 C ATOM 0 H VAL A 14 -3.425 -1.889 -6.947 1.00 21.02 H new ATOM 0 HA VAL A 14 -3.574 -1.789 -3.987 1.00 34.31 H new ATOM 0 HB VAL A 14 -4.624 -4.069 -5.676 1.00 51.41 H new ATOM 0 HG11 VAL A 14 -5.882 -4.624 -3.624 1.00 64.35 H new ATOM 0 HG12 VAL A 14 -4.125 -4.582 -3.343 1.00 64.35 H new ATOM 0 HG13 VAL A 14 -5.145 -3.226 -2.807 1.00 64.35 H new ATOM 0 HG21 VAL A 14 -6.915 -3.206 -5.321 1.00 24.35 H new ATOM 0 HG22 VAL A 14 -6.235 -1.728 -4.601 1.00 24.35 H new ATOM 0 HG23 VAL A 14 -5.930 -2.105 -6.313 1.00 24.35 H new ATOM 213 N ARG A 15 -1.304 -2.709 -5.700 1.00 13.54 N ATOM 214 CA ARG A 15 -0.102 -3.470 -6.034 1.00 40.43 C ATOM 215 C ARG A 15 0.596 -4.044 -4.803 1.00 72.53 C ATOM 216 O ARG A 15 1.097 -5.166 -4.852 1.00 63.34 O ATOM 217 CB ARG A 15 0.859 -2.592 -6.824 1.00 61.05 C ATOM 218 CG ARG A 15 0.361 -2.258 -8.219 1.00 53.14 C ATOM 219 CD ARG A 15 0.149 -3.512 -9.045 1.00 2.45 C ATOM 220 NE ARG A 15 -0.333 -3.224 -10.393 1.00 73.10 N ATOM 221 CZ ARG A 15 -0.039 -3.974 -11.457 1.00 3.40 C ATOM 222 NH1 ARG A 15 0.774 -5.020 -11.329 1.00 62.13 N ATOM 223 NH2 ARG A 15 -0.554 -3.679 -12.641 1.00 1.34 N ATOM 0 H ARG A 15 -1.310 -1.758 -6.070 1.00 13.54 H new ATOM 0 HA ARG A 15 -0.415 -4.319 -6.641 1.00 40.43 H new ATOM 0 HB2 ARG A 15 1.028 -1.666 -6.275 1.00 61.05 H new ATOM 0 HB3 ARG A 15 1.822 -3.097 -6.901 1.00 61.05 H new ATOM 0 HG2 ARG A 15 -0.575 -1.703 -8.150 1.00 53.14 H new ATOM 0 HG3 ARG A 15 1.080 -1.609 -8.718 1.00 53.14 H new ATOM 0 HD2 ARG A 15 1.087 -4.063 -9.109 1.00 2.45 H new ATOM 0 HD3 ARG A 15 -0.567 -4.159 -8.538 1.00 2.45 H new ATOM 0 HE ARG A 15 -0.926 -2.406 -10.529 1.00 73.10 H new ATOM 0 HH11 ARG A 15 1.172 -5.248 -10.418 1.00 62.13 H new ATOM 0 HH12 ARG A 15 0.999 -5.594 -12.142 1.00 62.13 H new ATOM 0 HH21 ARG A 15 -1.177 -2.877 -12.741 1.00 1.34 H new ATOM 0 HH22 ARG A 15 -0.328 -4.254 -13.453 1.00 1.34 H new ATOM 237 N SER A 16 0.624 -3.270 -3.714 1.00 40.21 N ATOM 238 CA SER A 16 1.204 -3.717 -2.445 1.00 24.22 C ATOM 239 C SER A 16 2.710 -3.948 -2.563 1.00 53.01 C ATOM 240 O SER A 16 3.285 -4.746 -1.826 1.00 62.23 O ATOM 241 CB SER A 16 0.506 -4.994 -1.966 1.00 42.34 C ATOM 242 OG SER A 16 -0.899 -4.806 -1.877 1.00 23.41 O ATOM 0 H SER A 16 0.248 -2.322 -3.687 1.00 40.21 H new ATOM 0 HA SER A 16 1.048 -2.926 -1.711 1.00 24.22 H new ATOM 0 HB2 SER A 16 0.724 -5.811 -2.654 1.00 42.34 H new ATOM 0 HB3 SER A 16 0.900 -5.284 -0.992 1.00 42.34 H new ATOM 0 HG SER A 16 -1.268 -4.665 -2.774 1.00 23.41 H new ATOM 248 N GLY A 17 3.348 -3.214 -3.467 1.00 22.35 N ATOM 249 CA GLY A 17 4.775 -3.365 -3.668 1.00 51.34 C ATOM 250 C GLY A 17 5.569 -2.861 -2.482 1.00 3.24 C ATOM 251 O GLY A 17 5.294 -1.784 -1.964 1.00 31.34 O ATOM 0 H GLY A 17 2.902 -2.517 -4.064 1.00 22.35 H new ATOM 0 HA2 GLY A 17 5.008 -4.416 -3.841 1.00 51.34 H new ATOM 0 HA3 GLY A 17 5.075 -2.821 -4.563 1.00 51.34 H new ATOM 255 N GLU A 18 6.545 -3.640 -2.042 1.00 4.54 N ATOM 256 CA GLU A 18 7.362 -3.261 -0.895 1.00 12.33 C ATOM 257 C GLU A 18 8.252 -2.076 -1.249 1.00 11.41 C ATOM 258 O GLU A 18 8.586 -1.254 -0.396 1.00 24.11 O ATOM 259 CB GLU A 18 8.206 -4.444 -0.430 1.00 71.13 C ATOM 260 CG GLU A 18 7.373 -5.652 -0.042 1.00 41.14 C ATOM 261 CD GLU A 18 8.203 -6.757 0.565 1.00 25.43 C ATOM 262 OE1 GLU A 18 8.525 -6.664 1.771 1.00 33.01 O ATOM 263 OE2 GLU A 18 8.533 -7.728 -0.150 1.00 53.20 O ATOM 0 H GLU A 18 6.792 -4.537 -2.459 1.00 4.54 H new ATOM 0 HA GLU A 18 6.702 -2.967 -0.079 1.00 12.33 H new ATOM 0 HB2 GLU A 18 8.896 -4.726 -1.226 1.00 71.13 H new ATOM 0 HB3 GLU A 18 8.811 -4.138 0.423 1.00 71.13 H new ATOM 0 HG2 GLU A 18 6.605 -5.346 0.669 1.00 41.14 H new ATOM 0 HG3 GLU A 18 6.858 -6.032 -0.924 1.00 41.14 H new ATOM 270 N GLY A 19 8.640 -2.013 -2.510 1.00 3.52 N ATOM 271 CA GLY A 19 9.363 -0.871 -3.017 1.00 30.54 C ATOM 272 C GLY A 19 8.746 -0.376 -4.303 1.00 41.13 C ATOM 273 O GLY A 19 7.642 0.169 -4.302 1.00 50.14 O ATOM 0 H GLY A 19 8.464 -2.743 -3.200 1.00 3.52 H new ATOM 0 HA2 GLY A 19 9.358 -0.073 -2.275 1.00 30.54 H new ATOM 0 HA3 GLY A 19 10.405 -1.141 -3.188 1.00 30.54 H new ATOM 277 N THR A 20 9.441 -0.578 -5.404 1.00 2.15 N ATOM 278 CA THR A 20 8.897 -0.264 -6.707 1.00 52.34 C ATOM 279 C THR A 20 8.382 -1.536 -7.362 1.00 24.23 C ATOM 280 O THR A 20 7.786 -1.506 -8.440 1.00 13.34 O ATOM 281 CB THR A 20 9.949 0.406 -7.611 1.00 74.34 C ATOM 282 OG1 THR A 20 11.141 -0.392 -7.661 1.00 33.42 O ATOM 283 CG2 THR A 20 10.290 1.801 -7.106 1.00 0.14 C ATOM 0 H THR A 20 10.387 -0.960 -5.421 1.00 2.15 H new ATOM 0 HA THR A 20 8.076 0.441 -6.574 1.00 52.34 H new ATOM 0 HB THR A 20 9.528 0.490 -8.613 1.00 74.34 H new ATOM 0 HG1 THR A 20 11.802 0.043 -8.240 1.00 33.42 H new ATOM 0 HG21 THR A 20 11.035 2.253 -7.761 1.00 0.14 H new ATOM 0 HG22 THR A 20 9.390 2.416 -7.101 1.00 0.14 H new ATOM 0 HG23 THR A 20 10.690 1.734 -6.094 1.00 0.14 H new ATOM 291 N ASN A 21 8.614 -2.657 -6.687 1.00 74.25 N ATOM 292 CA ASN A 21 8.194 -3.960 -7.178 1.00 4.50 C ATOM 293 C ASN A 21 6.700 -4.162 -6.946 1.00 31.13 C ATOM 294 O ASN A 21 6.272 -4.716 -5.935 1.00 1.23 O ATOM 295 CB ASN A 21 9.016 -5.088 -6.530 1.00 1.21 C ATOM 296 CG ASN A 21 8.960 -5.104 -5.007 1.00 52.21 C ATOM 297 OD1 ASN A 21 8.814 -4.068 -4.355 1.00 12.24 O ATOM 298 ND2 ASN A 21 9.082 -6.287 -4.430 1.00 25.33 N ATOM 0 H ASN A 21 9.096 -2.686 -5.789 1.00 74.25 H new ATOM 0 HA ASN A 21 8.378 -3.996 -8.252 1.00 4.50 H new ATOM 0 HB2 ASN A 21 8.657 -6.046 -6.906 1.00 1.21 H new ATOM 0 HB3 ASN A 21 10.055 -4.991 -6.844 1.00 1.21 H new ATOM 0 HD21 ASN A 21 9.057 -6.364 -3.413 1.00 25.33 H new ATOM 0 HD22 ASN A 21 9.201 -7.123 -5.002 1.00 25.33 H new ATOM 305 N TYR A 22 5.906 -3.698 -7.897 1.00 3.40 N ATOM 306 CA TYR A 22 4.462 -3.705 -7.749 1.00 33.44 C ATOM 307 C TYR A 22 3.843 -4.954 -8.362 1.00 60.32 C ATOM 308 O TYR A 22 2.621 -5.086 -8.422 1.00 12.12 O ATOM 309 CB TYR A 22 3.862 -2.452 -8.383 1.00 71.11 C ATOM 310 CG TYR A 22 4.279 -1.165 -7.701 1.00 54.14 C ATOM 311 CD1 TYR A 22 4.077 -0.984 -6.337 1.00 32.13 C ATOM 312 CD2 TYR A 22 4.874 -0.134 -8.419 1.00 23.10 C ATOM 313 CE1 TYR A 22 4.455 0.187 -5.710 1.00 23.32 C ATOM 314 CE2 TYR A 22 5.255 1.041 -7.796 1.00 13.34 C ATOM 315 CZ TYR A 22 5.043 1.196 -6.442 1.00 33.41 C ATOM 316 OH TYR A 22 5.417 2.364 -5.818 1.00 65.12 O ATOM 0 H TYR A 22 6.239 -3.312 -8.780 1.00 3.40 H new ATOM 0 HA TYR A 22 4.235 -3.711 -6.683 1.00 33.44 H new ATOM 0 HB2 TYR A 22 4.157 -2.409 -9.431 1.00 71.11 H new ATOM 0 HB3 TYR A 22 2.775 -2.529 -8.360 1.00 71.11 H new ATOM 0 HD1 TYR A 22 3.617 -1.772 -5.759 1.00 32.13 H new ATOM 0 HD2 TYR A 22 5.041 -0.252 -9.479 1.00 23.10 H new ATOM 0 HE1 TYR A 22 4.290 0.312 -4.650 1.00 23.32 H new ATOM 0 HE2 TYR A 22 5.716 1.833 -8.367 1.00 13.34 H new ATOM 0 HH TYR A 22 5.817 2.972 -6.474 1.00 65.12 H new ATOM 326 N ARG A 23 4.685 -5.871 -8.812 1.00 32.32 N ATOM 327 CA ARG A 23 4.209 -7.135 -9.355 1.00 44.43 C ATOM 328 C ARG A 23 4.110 -8.169 -8.233 1.00 62.15 C ATOM 329 O ARG A 23 3.707 -9.313 -8.450 1.00 20.43 O ATOM 330 CB ARG A 23 5.134 -7.626 -10.473 1.00 72.32 C ATOM 331 CG ARG A 23 4.604 -8.843 -11.211 1.00 71.25 C ATOM 332 CD ARG A 23 5.552 -9.292 -12.306 1.00 12.33 C ATOM 333 NE ARG A 23 5.083 -10.511 -12.959 1.00 54.53 N ATOM 334 CZ ARG A 23 5.290 -10.796 -14.242 1.00 54.50 C ATOM 335 NH1 ARG A 23 5.952 -9.947 -15.017 1.00 1.51 N ATOM 336 NH2 ARG A 23 4.823 -11.926 -14.753 1.00 73.51 N ATOM 0 H ARG A 23 5.699 -5.765 -8.812 1.00 32.32 H new ATOM 0 HA ARG A 23 3.219 -6.988 -9.786 1.00 44.43 H new ATOM 0 HB2 ARG A 23 5.288 -6.817 -11.187 1.00 72.32 H new ATOM 0 HB3 ARG A 23 6.109 -7.865 -10.048 1.00 72.32 H new ATOM 0 HG2 ARG A 23 4.451 -9.659 -10.505 1.00 71.25 H new ATOM 0 HG3 ARG A 23 3.631 -8.611 -11.645 1.00 71.25 H new ATOM 0 HD2 ARG A 23 5.655 -8.499 -13.046 1.00 12.33 H new ATOM 0 HD3 ARG A 23 6.542 -9.463 -11.883 1.00 12.33 H new ATOM 0 HE ARG A 23 4.565 -11.186 -12.397 1.00 54.53 H new ATOM 0 HH11 ARG A 23 6.305 -9.072 -14.630 1.00 1.51 H new ATOM 0 HH12 ARG A 23 6.108 -10.170 -16.000 1.00 1.51 H new ATOM 0 HH21 ARG A 23 4.305 -12.577 -14.163 1.00 73.51 H new ATOM 0 HH22 ARG A 23 4.981 -12.145 -15.737 1.00 73.51 H new ATOM 350 N ILE A 24 4.474 -7.735 -7.030 1.00 4.55 N ATOM 351 CA ILE A 24 4.393 -8.568 -5.835 1.00 64.43 C ATOM 352 C ILE A 24 2.979 -9.163 -5.696 1.00 72.44 C ATOM 353 O ILE A 24 2.829 -10.350 -5.399 1.00 5.11 O ATOM 354 CB ILE A 24 4.805 -7.735 -4.579 1.00 52.32 C ATOM 355 CG1 ILE A 24 5.154 -8.608 -3.358 1.00 33.41 C ATOM 356 CG2 ILE A 24 3.734 -6.730 -4.212 1.00 61.24 C ATOM 357 CD1 ILE A 24 3.994 -9.346 -2.726 1.00 12.25 C ATOM 0 H ILE A 24 4.833 -6.796 -6.856 1.00 4.55 H new ATOM 0 HA ILE A 24 5.089 -9.402 -5.922 1.00 64.43 H new ATOM 0 HB ILE A 24 5.714 -7.203 -4.861 1.00 52.32 H new ATOM 0 HG12 ILE A 24 5.905 -9.339 -3.660 1.00 33.41 H new ATOM 0 HG13 ILE A 24 5.613 -7.973 -2.600 1.00 33.41 H new ATOM 0 HG21 ILE A 24 4.050 -6.166 -3.334 1.00 61.24 H new ATOM 0 HG22 ILE A 24 3.576 -6.046 -5.046 1.00 61.24 H new ATOM 0 HG23 ILE A 24 2.804 -7.254 -3.991 1.00 61.24 H new ATOM 0 HD11 ILE A 24 4.352 -9.928 -1.877 1.00 12.25 H new ATOM 0 HD12 ILE A 24 3.248 -8.628 -2.385 1.00 12.25 H new ATOM 0 HD13 ILE A 24 3.544 -10.014 -3.460 1.00 12.25 H new ATOM 369 N ILE A 25 1.951 -8.351 -5.949 1.00 53.40 N ATOM 370 CA ILE A 25 0.576 -8.837 -5.935 1.00 53.22 C ATOM 371 C ILE A 25 -0.173 -8.356 -7.178 1.00 4.45 C ATOM 372 O ILE A 25 -0.323 -9.106 -8.144 1.00 3.12 O ATOM 373 CB ILE A 25 -0.188 -8.405 -4.659 1.00 61.31 C ATOM 374 CG1 ILE A 25 0.569 -8.866 -3.411 1.00 23.55 C ATOM 375 CG2 ILE A 25 -1.597 -8.982 -4.667 1.00 72.40 C ATOM 376 CD1 ILE A 25 -0.011 -8.354 -2.114 1.00 63.31 C ATOM 0 H ILE A 25 2.047 -7.359 -6.165 1.00 53.40 H new ATOM 0 HA ILE A 25 0.624 -9.926 -5.937 1.00 53.22 H new ATOM 0 HB ILE A 25 -0.259 -7.317 -4.643 1.00 61.31 H new ATOM 0 HG12 ILE A 25 0.579 -9.956 -3.387 1.00 23.55 H new ATOM 0 HG13 ILE A 25 1.606 -8.539 -3.487 1.00 23.55 H new ATOM 0 HG21 ILE A 25 -2.123 -8.671 -3.764 1.00 72.40 H new ATOM 0 HG22 ILE A 25 -2.134 -8.619 -5.543 1.00 72.40 H new ATOM 0 HG23 ILE A 25 -1.544 -10.070 -4.699 1.00 72.40 H new ATOM 0 HD11 ILE A 25 0.582 -8.725 -1.278 1.00 63.31 H new ATOM 0 HD12 ILE A 25 0.004 -7.264 -2.114 1.00 63.31 H new ATOM 0 HD13 ILE A 25 -1.039 -8.702 -2.012 1.00 63.31 H new ATOM 388 N GLY A 26 -0.629 -7.106 -7.168 1.00 42.23 N ATOM 389 CA GLY A 26 -1.317 -6.571 -8.327 1.00 1.34 C ATOM 390 C GLY A 26 -2.503 -5.710 -7.954 1.00 70.14 C ATOM 391 O GLY A 26 -2.911 -5.672 -6.798 1.00 53.34 O ATOM 0 H GLY A 26 -0.535 -6.460 -6.384 1.00 42.23 H new ATOM 0 HA2 GLY A 26 -0.617 -5.982 -8.920 1.00 1.34 H new ATOM 0 HA3 GLY A 26 -1.654 -7.394 -8.957 1.00 1.34 H new ATOM 395 N ALA A 27 -3.058 -5.016 -8.934 1.00 30.44 N ATOM 396 CA ALA A 27 -4.200 -4.154 -8.697 1.00 71.40 C ATOM 397 C ALA A 27 -5.489 -4.913 -8.955 1.00 54.21 C ATOM 398 O ALA A 27 -5.937 -5.012 -10.098 1.00 64.44 O ATOM 399 CB ALA A 27 -4.137 -2.924 -9.583 1.00 21.21 C ATOM 0 H ALA A 27 -2.735 -5.034 -9.901 1.00 30.44 H new ATOM 0 HA ALA A 27 -4.177 -3.832 -7.656 1.00 71.40 H new ATOM 0 HB1 ALA A 27 -5.003 -2.291 -9.389 1.00 21.21 H new ATOM 0 HB2 ALA A 27 -3.225 -2.367 -9.368 1.00 21.21 H new ATOM 0 HB3 ALA A 27 -4.138 -3.229 -10.629 1.00 21.21 H new ATOM 405 N LEU A 28 -6.061 -5.474 -7.906 1.00 55.42 N ATOM 406 CA LEU A 28 -7.336 -6.162 -8.014 1.00 14.13 C ATOM 407 C LEU A 28 -8.337 -5.523 -7.056 1.00 32.54 C ATOM 408 O LEU A 28 -8.489 -5.950 -5.912 1.00 74.44 O ATOM 409 CB LEU A 28 -7.164 -7.656 -7.723 1.00 1.03 C ATOM 410 CG LEU A 28 -8.339 -8.543 -8.132 1.00 70.11 C ATOM 411 CD1 LEU A 28 -8.621 -8.403 -9.621 1.00 62.44 C ATOM 412 CD2 LEU A 28 -8.055 -9.993 -7.772 1.00 0.44 C ATOM 0 H LEU A 28 -5.663 -5.467 -6.967 1.00 55.42 H new ATOM 0 HA LEU A 28 -7.717 -6.067 -9.031 1.00 14.13 H new ATOM 0 HB2 LEU A 28 -6.269 -8.008 -8.236 1.00 1.03 H new ATOM 0 HB3 LEU A 28 -6.990 -7.783 -6.655 1.00 1.03 H new ATOM 0 HG LEU A 28 -9.226 -8.220 -7.587 1.00 70.11 H new ATOM 0 HD11 LEU A 28 -9.461 -9.042 -9.894 1.00 62.44 H new ATOM 0 HD12 LEU A 28 -8.865 -7.365 -9.849 1.00 62.44 H new ATOM 0 HD13 LEU A 28 -7.739 -8.701 -10.188 1.00 62.44 H new ATOM 0 HD21 LEU A 28 -8.900 -10.614 -8.069 1.00 0.44 H new ATOM 0 HD22 LEU A 28 -7.158 -10.328 -8.293 1.00 0.44 H new ATOM 0 HD23 LEU A 28 -7.903 -10.078 -6.696 1.00 0.44 H new ATOM 424 N PRO A 29 -8.997 -4.449 -7.505 1.00 13.53 N ATOM 425 CA PRO A 29 -9.873 -3.643 -6.669 1.00 53.12 C ATOM 426 C PRO A 29 -11.293 -4.194 -6.572 1.00 34.22 C ATOM 427 O PRO A 29 -12.136 -3.927 -7.429 1.00 52.22 O ATOM 428 CB PRO A 29 -9.876 -2.273 -7.368 1.00 72.32 C ATOM 429 CG PRO A 29 -9.070 -2.437 -8.624 1.00 63.44 C ATOM 430 CD PRO A 29 -8.945 -3.915 -8.864 1.00 24.00 C ATOM 0 HA PRO A 29 -9.521 -3.617 -5.638 1.00 53.12 H new ATOM 0 HB2 PRO A 29 -10.893 -1.956 -7.598 1.00 72.32 H new ATOM 0 HB3 PRO A 29 -9.442 -1.508 -6.725 1.00 72.32 H new ATOM 0 HG2 PRO A 29 -9.560 -1.948 -9.466 1.00 63.44 H new ATOM 0 HG3 PRO A 29 -8.087 -1.977 -8.517 1.00 63.44 H new ATOM 0 HD2 PRO A 29 -9.756 -4.298 -9.484 1.00 24.00 H new ATOM 0 HD3 PRO A 29 -8.012 -4.169 -9.367 1.00 24.00 H new ATOM 438 N GLN A 30 -11.541 -4.986 -5.540 1.00 2.20 N ATOM 439 CA GLN A 30 -12.893 -5.424 -5.223 1.00 43.34 C ATOM 440 C GLN A 30 -13.584 -4.378 -4.355 1.00 63.24 C ATOM 441 O GLN A 30 -12.919 -3.550 -3.725 1.00 51.15 O ATOM 442 CB GLN A 30 -12.889 -6.772 -4.497 1.00 62.21 C ATOM 443 CG GLN A 30 -12.786 -7.989 -5.411 1.00 4.41 C ATOM 444 CD GLN A 30 -11.476 -8.070 -6.165 1.00 74.50 C ATOM 445 OE1 GLN A 30 -10.492 -8.608 -5.662 1.00 71.24 O ATOM 446 NE2 GLN A 30 -11.466 -7.574 -7.389 1.00 3.52 N ATOM 0 H GLN A 30 -10.823 -5.339 -4.907 1.00 2.20 H new ATOM 0 HA GLN A 30 -13.436 -5.545 -6.161 1.00 43.34 H new ATOM 0 HB2 GLN A 30 -12.054 -6.789 -3.796 1.00 62.21 H new ATOM 0 HB3 GLN A 30 -13.802 -6.854 -3.907 1.00 62.21 H new ATOM 0 HG2 GLN A 30 -12.909 -8.893 -4.814 1.00 4.41 H new ATOM 0 HG3 GLN A 30 -13.607 -7.966 -6.127 1.00 4.41 H new ATOM 0 HE21 GLN A 30 -12.305 -7.135 -7.768 1.00 3.52 H new ATOM 0 HE22 GLN A 30 -10.619 -7.630 -7.955 1.00 3.52 H new ATOM 455 N GLY A 31 -14.912 -4.424 -4.325 1.00 74.20 N ATOM 456 CA GLY A 31 -15.683 -3.477 -3.541 1.00 4.12 C ATOM 457 C GLY A 31 -15.379 -3.569 -2.058 1.00 31.35 C ATOM 458 O GLY A 31 -15.421 -2.566 -1.345 1.00 5.04 O ATOM 0 H GLY A 31 -15.472 -5.107 -4.835 1.00 74.20 H new ATOM 0 HA2 GLY A 31 -15.474 -2.466 -3.890 1.00 4.12 H new ATOM 0 HA3 GLY A 31 -16.746 -3.656 -3.703 1.00 4.12 H new ATOM 462 N GLN A 32 -15.076 -4.779 -1.599 1.00 74.41 N ATOM 463 CA GLN A 32 -14.706 -5.001 -0.207 1.00 41.23 C ATOM 464 C GLN A 32 -13.399 -4.279 0.099 1.00 54.54 C ATOM 465 O GLN A 32 -13.400 -3.221 0.733 1.00 54.21 O ATOM 466 CB GLN A 32 -14.552 -6.500 0.099 1.00 72.32 C ATOM 467 CG GLN A 32 -15.721 -7.363 -0.357 1.00 5.44 C ATOM 468 CD GLN A 32 -15.639 -7.741 -1.826 1.00 35.23 C ATOM 469 OE1 GLN A 32 -16.139 -7.031 -2.694 1.00 51.23 O ATOM 470 NE2 GLN A 32 -14.998 -8.859 -2.111 1.00 31.42 N ATOM 0 H GLN A 32 -15.080 -5.622 -2.173 1.00 74.41 H new ATOM 0 HA GLN A 32 -15.503 -4.606 0.422 1.00 41.23 H new ATOM 0 HB2 GLN A 32 -13.642 -6.863 -0.378 1.00 72.32 H new ATOM 0 HB3 GLN A 32 -14.421 -6.627 1.174 1.00 72.32 H new ATOM 0 HG2 GLN A 32 -15.752 -8.271 0.245 1.00 5.44 H new ATOM 0 HG3 GLN A 32 -16.653 -6.828 -0.176 1.00 5.44 H new ATOM 0 HE21 GLN A 32 -14.596 -9.422 -1.361 1.00 31.42 H new ATOM 0 HE22 GLN A 32 -14.904 -9.160 -3.081 1.00 31.42 H new ATOM 479 N LYS A 33 -12.294 -4.863 -0.369 1.00 44.24 N ATOM 480 CA LYS A 33 -10.969 -4.254 -0.288 1.00 4.52 C ATOM 481 C LYS A 33 -10.427 -4.253 1.146 1.00 1.22 C ATOM 482 O LYS A 33 -11.172 -4.086 2.113 1.00 14.02 O ATOM 483 CB LYS A 33 -11.000 -2.834 -0.870 1.00 23.42 C ATOM 484 CG LYS A 33 -9.629 -2.235 -1.115 1.00 11.42 C ATOM 485 CD LYS A 33 -9.708 -0.907 -1.861 1.00 43.23 C ATOM 486 CE LYS A 33 -10.226 -1.069 -3.290 1.00 55.22 C ATOM 487 NZ LYS A 33 -11.714 -1.096 -3.365 1.00 3.10 N ATOM 0 H LYS A 33 -12.296 -5.779 -0.818 1.00 44.24 H new ATOM 0 HA LYS A 33 -10.286 -4.859 -0.884 1.00 4.52 H new ATOM 0 HB2 LYS A 33 -11.551 -2.850 -1.810 1.00 23.42 H new ATOM 0 HB3 LYS A 33 -11.551 -2.186 -0.189 1.00 23.42 H new ATOM 0 HG2 LYS A 33 -9.124 -2.085 -0.161 1.00 11.42 H new ATOM 0 HG3 LYS A 33 -9.024 -2.937 -1.689 1.00 11.42 H new ATOM 0 HD2 LYS A 33 -10.362 -0.226 -1.316 1.00 43.23 H new ATOM 0 HD3 LYS A 33 -8.719 -0.448 -1.886 1.00 43.23 H new ATOM 0 HE2 LYS A 33 -9.851 -0.249 -3.903 1.00 55.22 H new ATOM 0 HE3 LYS A 33 -9.829 -1.991 -3.713 1.00 55.22 H new ATOM 0 HZ1 LYS A 33 -12.020 -1.944 -3.884 1.00 3.10 H new ATOM 0 HZ2 LYS A 33 -12.110 -1.116 -2.403 1.00 3.10 H new ATOM 0 HZ3 LYS A 33 -12.052 -0.246 -3.860 1.00 3.10 H new ATOM 501 N VAL A 34 -9.121 -4.457 1.273 1.00 42.13 N ATOM 502 CA VAL A 34 -8.471 -4.506 2.580 1.00 11.20 C ATOM 503 C VAL A 34 -8.283 -3.105 3.162 1.00 44.41 C ATOM 504 O VAL A 34 -8.097 -2.948 4.371 1.00 75.32 O ATOM 505 CB VAL A 34 -7.101 -5.217 2.498 1.00 32.22 C ATOM 506 CG1 VAL A 34 -7.282 -6.684 2.131 1.00 13.21 C ATOM 507 CG2 VAL A 34 -6.187 -4.523 1.494 1.00 51.33 C ATOM 0 H VAL A 34 -8.488 -4.592 0.484 1.00 42.13 H new ATOM 0 HA VAL A 34 -9.127 -5.075 3.239 1.00 11.20 H new ATOM 0 HB VAL A 34 -6.630 -5.161 3.480 1.00 32.22 H new ATOM 0 HG11 VAL A 34 -6.307 -7.169 2.078 1.00 13.21 H new ATOM 0 HG12 VAL A 34 -7.891 -7.176 2.889 1.00 13.21 H new ATOM 0 HG13 VAL A 34 -7.778 -6.758 1.163 1.00 13.21 H new ATOM 0 HG21 VAL A 34 -5.229 -5.042 1.455 1.00 51.33 H new ATOM 0 HG22 VAL A 34 -6.650 -4.541 0.507 1.00 51.33 H new ATOM 0 HG23 VAL A 34 -6.027 -3.489 1.801 1.00 51.33 H new ATOM 517 N GLN A 35 -8.339 -2.100 2.282 1.00 54.31 N ATOM 518 CA GLN A 35 -8.184 -0.691 2.656 1.00 21.31 C ATOM 519 C GLN A 35 -6.733 -0.385 3.053 1.00 73.24 C ATOM 520 O GLN A 35 -5.887 -1.278 3.119 1.00 72.52 O ATOM 521 CB GLN A 35 -9.153 -0.307 3.787 1.00 2.22 C ATOM 522 CG GLN A 35 -9.405 1.189 3.900 1.00 71.31 C ATOM 523 CD GLN A 35 -10.186 1.565 5.142 1.00 61.34 C ATOM 524 OE1 GLN A 35 -9.604 1.851 6.189 1.00 72.55 O ATOM 525 NE2 GLN A 35 -11.506 1.554 5.044 1.00 2.11 N ATOM 0 H GLN A 35 -8.494 -2.243 1.284 1.00 54.31 H new ATOM 0 HA GLN A 35 -8.431 -0.086 1.784 1.00 21.31 H new ATOM 0 HB2 GLN A 35 -10.104 -0.815 3.626 1.00 2.22 H new ATOM 0 HB3 GLN A 35 -8.754 -0.671 4.734 1.00 2.22 H new ATOM 0 HG2 GLN A 35 -8.449 1.713 3.906 1.00 71.31 H new ATOM 0 HG3 GLN A 35 -9.949 1.528 3.019 1.00 71.31 H new ATOM 0 HE21 GLN A 35 -11.950 1.311 4.158 1.00 2.11 H new ATOM 0 HE22 GLN A 35 -12.080 1.788 5.854 1.00 2.11 H new ATOM 534 N VAL A 36 -6.452 0.885 3.304 1.00 14.50 N ATOM 535 CA VAL A 36 -5.110 1.337 3.640 1.00 21.43 C ATOM 536 C VAL A 36 -4.989 1.588 5.143 1.00 33.20 C ATOM 537 O VAL A 36 -5.945 2.033 5.782 1.00 22.31 O ATOM 538 CB VAL A 36 -4.761 2.629 2.855 1.00 14.35 C ATOM 539 CG1 VAL A 36 -5.751 3.744 3.166 1.00 3.13 C ATOM 540 CG2 VAL A 36 -3.337 3.087 3.140 1.00 42.50 C ATOM 0 H VAL A 36 -7.147 1.631 3.281 1.00 14.50 H new ATOM 0 HA VAL A 36 -4.405 0.554 3.359 1.00 21.43 H new ATOM 0 HB VAL A 36 -4.832 2.392 1.793 1.00 14.35 H new ATOM 0 HG11 VAL A 36 -5.482 4.637 2.602 1.00 3.13 H new ATOM 0 HG12 VAL A 36 -6.756 3.427 2.886 1.00 3.13 H new ATOM 0 HG13 VAL A 36 -5.725 3.967 4.233 1.00 3.13 H new ATOM 0 HG21 VAL A 36 -3.126 3.994 2.574 1.00 42.50 H new ATOM 0 HG22 VAL A 36 -3.226 3.290 4.205 1.00 42.50 H new ATOM 0 HG23 VAL A 36 -2.637 2.305 2.845 1.00 42.50 H new ATOM 550 N ILE A 37 -3.825 1.281 5.712 1.00 61.33 N ATOM 551 CA ILE A 37 -3.586 1.544 7.123 1.00 62.22 C ATOM 552 C ILE A 37 -3.317 3.025 7.333 1.00 40.31 C ATOM 553 O ILE A 37 -4.016 3.693 8.093 1.00 13.25 O ATOM 554 CB ILE A 37 -2.388 0.733 7.670 1.00 72.44 C ATOM 555 CG1 ILE A 37 -2.585 -0.762 7.417 1.00 63.42 C ATOM 556 CG2 ILE A 37 -2.194 1.000 9.155 1.00 1.23 C ATOM 557 CD1 ILE A 37 -1.329 -1.462 6.950 1.00 23.23 C ATOM 0 H ILE A 37 -3.041 0.853 5.220 1.00 61.33 H new ATOM 0 HA ILE A 37 -4.480 1.238 7.666 1.00 62.22 H new ATOM 0 HB ILE A 37 -1.491 1.054 7.141 1.00 72.44 H new ATOM 0 HG12 ILE A 37 -2.936 -1.235 8.334 1.00 63.42 H new ATOM 0 HG13 ILE A 37 -3.367 -0.897 6.669 1.00 63.42 H new ATOM 0 HG21 ILE A 37 -1.347 0.420 9.521 1.00 1.23 H new ATOM 0 HG22 ILE A 37 -2.003 2.062 9.312 1.00 1.23 H new ATOM 0 HG23 ILE A 37 -3.094 0.710 9.697 1.00 1.23 H new ATOM 0 HD11 ILE A 37 -1.540 -2.519 6.790 1.00 23.23 H new ATOM 0 HD12 ILE A 37 -0.989 -1.014 6.016 1.00 23.23 H new ATOM 0 HD13 ILE A 37 -0.552 -1.358 7.707 1.00 23.23 H new ATOM 569 N SER A 38 -2.318 3.532 6.623 1.00 3.13 N ATOM 570 CA SER A 38 -1.950 4.935 6.697 1.00 53.13 C ATOM 571 C SER A 38 -0.913 5.244 5.640 1.00 44.10 C ATOM 572 O SER A 38 -0.269 4.341 5.103 1.00 64.02 O ATOM 573 CB SER A 38 -1.414 5.289 8.090 1.00 33.14 C ATOM 574 OG SER A 38 -1.265 6.691 8.250 1.00 71.14 O ATOM 0 H SER A 38 -1.744 2.983 5.983 1.00 3.13 H new ATOM 0 HA SER A 38 -2.839 5.539 6.517 1.00 53.13 H new ATOM 0 HB2 SER A 38 -2.094 4.905 8.851 1.00 33.14 H new ATOM 0 HB3 SER A 38 -0.452 4.800 8.246 1.00 33.14 H new ATOM 0 HG SER A 38 -0.924 6.883 9.148 1.00 71.14 H new ATOM 580 N GLU A 39 -0.765 6.512 5.341 1.00 54.01 N ATOM 581 CA GLU A 39 0.157 6.954 4.317 1.00 13.33 C ATOM 582 C GLU A 39 1.241 7.831 4.926 1.00 41.32 C ATOM 583 O GLU A 39 0.967 8.638 5.818 1.00 35.55 O ATOM 584 CB GLU A 39 -0.588 7.701 3.200 1.00 41.52 C ATOM 585 CG GLU A 39 -1.415 8.901 3.663 1.00 20.43 C ATOM 586 CD GLU A 39 -2.688 8.514 4.392 1.00 13.44 C ATOM 587 OE1 GLU A 39 -3.718 8.285 3.725 1.00 43.01 O ATOM 588 OE2 GLU A 39 -2.669 8.443 5.639 1.00 13.54 O ATOM 0 H GLU A 39 -1.278 7.266 5.798 1.00 54.01 H new ATOM 0 HA GLU A 39 0.631 6.077 3.876 1.00 13.33 H new ATOM 0 HB2 GLU A 39 0.140 8.043 2.464 1.00 41.52 H new ATOM 0 HB3 GLU A 39 -1.248 6.998 2.692 1.00 41.52 H new ATOM 0 HG2 GLU A 39 -0.804 9.521 4.319 1.00 20.43 H new ATOM 0 HG3 GLU A 39 -1.673 9.510 2.797 1.00 20.43 H new ATOM 595 N ASN A 40 2.469 7.649 4.463 1.00 41.13 N ATOM 596 CA ASN A 40 3.606 8.408 4.969 1.00 10.14 C ATOM 597 C ASN A 40 4.843 8.097 4.146 1.00 34.34 C ATOM 598 O ASN A 40 4.918 7.050 3.502 1.00 12.54 O ATOM 599 CB ASN A 40 3.882 8.061 6.435 1.00 53.32 C ATOM 600 CG ASN A 40 4.763 9.085 7.124 1.00 60.14 C ATOM 601 OD1 ASN A 40 5.990 8.983 7.109 1.00 21.55 O ATOM 602 ND2 ASN A 40 4.141 10.076 7.742 1.00 34.31 N ATOM 0 H ASN A 40 2.706 6.978 3.733 1.00 41.13 H new ATOM 0 HA ASN A 40 3.366 9.469 4.893 1.00 10.14 H new ATOM 0 HB2 ASN A 40 2.935 7.984 6.970 1.00 53.32 H new ATOM 0 HB3 ASN A 40 4.359 7.083 6.489 1.00 53.32 H new ATOM 0 HD21 ASN A 40 4.680 10.791 8.229 1.00 34.31 H new ATOM 0 HD22 ASN A 40 3.122 10.124 7.731 1.00 34.31 H new ATOM 609 N SER A 41 5.800 9.018 4.158 1.00 23.02 N ATOM 610 CA SER A 41 7.089 8.814 3.522 1.00 40.31 C ATOM 611 C SER A 41 6.955 8.677 2.001 1.00 71.31 C ATOM 612 O SER A 41 7.856 8.169 1.330 1.00 41.32 O ATOM 613 CB SER A 41 7.761 7.581 4.129 1.00 62.32 C ATOM 614 OG SER A 41 7.801 7.675 5.547 1.00 73.21 O ATOM 0 H SER A 41 5.700 9.927 4.610 1.00 23.02 H new ATOM 0 HA SER A 41 7.711 9.690 3.705 1.00 40.31 H new ATOM 0 HB2 SER A 41 7.218 6.683 3.835 1.00 62.32 H new ATOM 0 HB3 SER A 41 8.774 7.483 3.738 1.00 62.32 H new ATOM 0 HG SER A 41 7.003 8.145 5.866 1.00 73.21 H new ATOM 620 N GLY A 42 5.830 9.145 1.463 1.00 45.44 N ATOM 621 CA GLY A 42 5.637 9.152 0.026 1.00 4.13 C ATOM 622 C GLY A 42 4.656 8.097 -0.450 1.00 61.14 C ATOM 623 O GLY A 42 4.051 8.241 -1.514 1.00 71.23 O ATOM 0 H GLY A 42 5.048 9.520 2.000 1.00 45.44 H new ATOM 0 HA2 GLY A 42 5.281 10.135 -0.282 1.00 4.13 H new ATOM 0 HA3 GLY A 42 6.598 8.993 -0.464 1.00 4.13 H new ATOM 627 N TRP A 43 4.485 7.042 0.335 1.00 43.31 N ATOM 628 CA TRP A 43 3.637 5.923 -0.064 1.00 21.10 C ATOM 629 C TRP A 43 2.577 5.629 0.981 1.00 65.20 C ATOM 630 O TRP A 43 2.667 6.067 2.128 1.00 10.11 O ATOM 631 CB TRP A 43 4.458 4.657 -0.316 1.00 63.41 C ATOM 632 CG TRP A 43 5.276 4.695 -1.568 1.00 24.51 C ATOM 633 CD1 TRP A 43 5.038 5.426 -2.695 1.00 72.22 C ATOM 634 CD2 TRP A 43 6.456 3.938 -1.821 1.00 24.13 C ATOM 635 NE1 TRP A 43 6.014 5.178 -3.630 1.00 54.23 N ATOM 636 CE2 TRP A 43 6.898 4.265 -3.115 1.00 74.41 C ATOM 637 CE3 TRP A 43 7.179 3.017 -1.070 1.00 72.21 C ATOM 638 CZ2 TRP A 43 8.039 3.697 -3.673 1.00 61.40 C ATOM 639 CZ3 TRP A 43 8.311 2.453 -1.621 1.00 20.34 C ATOM 640 CH2 TRP A 43 8.734 2.797 -2.913 1.00 14.13 C ATOM 0 H TRP A 43 4.921 6.936 1.251 1.00 43.31 H new ATOM 0 HA TRP A 43 3.149 6.220 -0.992 1.00 21.10 H new ATOM 0 HB2 TRP A 43 5.121 4.493 0.533 1.00 63.41 H new ATOM 0 HB3 TRP A 43 3.783 3.803 -0.363 1.00 63.41 H new ATOM 0 HD1 TRP A 43 4.205 6.100 -2.832 1.00 72.22 H new ATOM 0 HE1 TRP A 43 6.071 5.603 -4.555 1.00 54.23 H new ATOM 0 HE3 TRP A 43 6.860 2.748 -0.074 1.00 72.21 H new ATOM 0 HZ2 TRP A 43 8.364 3.957 -4.670 1.00 61.40 H new ATOM 0 HZ3 TRP A 43 8.880 1.736 -1.049 1.00 20.34 H new ATOM 0 HH2 TRP A 43 9.627 2.342 -3.316 1.00 14.13 H new ATOM 651 N SER A 44 1.563 4.902 0.563 1.00 31.51 N ATOM 652 CA SER A 44 0.502 4.483 1.455 1.00 1.42 C ATOM 653 C SER A 44 0.719 3.030 1.861 1.00 70.41 C ATOM 654 O SER A 44 0.828 2.148 1.008 1.00 1.42 O ATOM 655 CB SER A 44 -0.856 4.661 0.775 1.00 12.20 C ATOM 656 OG SER A 44 -1.039 6.004 0.354 1.00 45.11 O ATOM 0 H SER A 44 1.450 4.586 -0.400 1.00 31.51 H new ATOM 0 HA SER A 44 0.517 5.102 2.352 1.00 1.42 H new ATOM 0 HB2 SER A 44 -0.928 3.993 -0.084 1.00 12.20 H new ATOM 0 HB3 SER A 44 -1.652 4.380 1.464 1.00 12.20 H new ATOM 0 HG SER A 44 -1.913 6.095 -0.080 1.00 45.11 H new ATOM 662 N LYS A 45 0.814 2.797 3.158 1.00 22.23 N ATOM 663 CA LYS A 45 1.063 1.483 3.688 1.00 25.43 C ATOM 664 C LYS A 45 -0.226 0.685 3.773 1.00 61.43 C ATOM 665 O LYS A 45 -1.198 1.107 4.408 1.00 33.14 O ATOM 666 CB LYS A 45 1.685 1.637 5.060 1.00 23.24 C ATOM 667 CG LYS A 45 2.059 0.337 5.726 1.00 44.02 C ATOM 668 CD LYS A 45 2.831 0.616 6.987 1.00 31.30 C ATOM 669 CE LYS A 45 4.082 1.415 6.678 1.00 53.33 C ATOM 670 NZ LYS A 45 4.793 1.859 7.905 1.00 23.40 N ATOM 0 H LYS A 45 0.719 3.521 3.870 1.00 22.23 H new ATOM 0 HA LYS A 45 1.741 0.940 3.030 1.00 25.43 H new ATOM 0 HB2 LYS A 45 2.578 2.256 4.973 1.00 23.24 H new ATOM 0 HB3 LYS A 45 0.987 2.173 5.703 1.00 23.24 H new ATOM 0 HG2 LYS A 45 1.161 -0.236 5.957 1.00 44.02 H new ATOM 0 HG3 LYS A 45 2.659 -0.271 5.048 1.00 44.02 H new ATOM 0 HD2 LYS A 45 2.205 1.166 7.689 1.00 31.30 H new ATOM 0 HD3 LYS A 45 3.102 -0.323 7.470 1.00 31.30 H new ATOM 0 HE2 LYS A 45 4.755 0.809 6.071 1.00 53.33 H new ATOM 0 HE3 LYS A 45 3.814 2.287 6.082 1.00 53.33 H new ATOM 0 HZ1 LYS A 45 5.640 2.400 7.639 1.00 23.40 H new ATOM 0 HZ2 LYS A 45 4.163 2.460 8.473 1.00 23.40 H new ATOM 0 HZ3 LYS A 45 5.075 1.028 8.463 1.00 23.40 H new ATOM 684 N ILE A 46 -0.221 -0.469 3.145 1.00 73.31 N ATOM 685 CA ILE A 46 -1.404 -1.308 3.079 1.00 13.13 C ATOM 686 C ILE A 46 -1.102 -2.710 3.573 1.00 32.12 C ATOM 687 O ILE A 46 0.021 -3.200 3.442 1.00 32.10 O ATOM 688 CB ILE A 46 -1.983 -1.380 1.646 1.00 71.33 C ATOM 689 CG1 ILE A 46 -0.883 -1.692 0.630 1.00 53.01 C ATOM 690 CG2 ILE A 46 -2.692 -0.082 1.290 1.00 1.42 C ATOM 691 CD1 ILE A 46 -1.372 -1.727 -0.804 1.00 34.44 C ATOM 0 H ILE A 46 0.595 -0.853 2.668 1.00 73.31 H new ATOM 0 HA ILE A 46 -2.151 -0.849 3.727 1.00 13.13 H new ATOM 0 HB ILE A 46 -2.713 -2.189 1.614 1.00 71.33 H new ATOM 0 HG12 ILE A 46 -0.096 -0.943 0.718 1.00 53.01 H new ATOM 0 HG13 ILE A 46 -0.436 -2.655 0.876 1.00 53.01 H new ATOM 0 HG21 ILE A 46 -3.092 -0.152 0.279 1.00 1.42 H new ATOM 0 HG22 ILE A 46 -3.508 0.092 1.992 1.00 1.42 H new ATOM 0 HG23 ILE A 46 -1.985 0.746 1.344 1.00 1.42 H new ATOM 0 HD11 ILE A 46 -0.538 -1.954 -1.468 1.00 34.44 H new ATOM 0 HD12 ILE A 46 -2.138 -2.495 -0.909 1.00 34.44 H new ATOM 0 HD13 ILE A 46 -1.793 -0.757 -1.069 1.00 34.44 H new ATOM 703 N ASN A 47 -2.101 -3.341 4.161 1.00 25.01 N ATOM 704 CA ASN A 47 -1.961 -4.701 4.643 1.00 63.03 C ATOM 705 C ASN A 47 -2.776 -5.630 3.765 1.00 0.02 C ATOM 706 O ASN A 47 -4.003 -5.564 3.746 1.00 64.11 O ATOM 707 CB ASN A 47 -2.435 -4.813 6.095 1.00 3.42 C ATOM 708 CG ASN A 47 -2.251 -6.210 6.664 1.00 52.52 C ATOM 709 OD1 ASN A 47 -3.109 -7.079 6.502 1.00 70.41 O ATOM 710 ND2 ASN A 47 -1.139 -6.430 7.349 1.00 13.24 N ATOM 0 H ASN A 47 -3.022 -2.931 4.317 1.00 25.01 H new ATOM 0 HA ASN A 47 -0.909 -4.982 4.602 1.00 63.03 H new ATOM 0 HB2 ASN A 47 -1.885 -4.099 6.709 1.00 3.42 H new ATOM 0 HB3 ASN A 47 -3.488 -4.537 6.152 1.00 3.42 H new ATOM 0 HD21 ASN A 47 -0.969 -7.346 7.765 1.00 13.24 H new ATOM 0 HD22 ASN A 47 -0.453 -5.684 7.461 1.00 13.24 H new ATOM 717 N TYR A 48 -2.098 -6.494 3.040 1.00 20.20 N ATOM 718 CA TYR A 48 -2.775 -7.413 2.152 1.00 32.35 C ATOM 719 C TYR A 48 -2.795 -8.800 2.769 1.00 25.24 C ATOM 720 O TYR A 48 -1.900 -9.609 2.541 1.00 33.41 O ATOM 721 CB TYR A 48 -2.095 -7.435 0.785 1.00 42.31 C ATOM 722 CG TYR A 48 -2.937 -8.056 -0.309 1.00 40.00 C ATOM 723 CD1 TYR A 48 -3.876 -7.298 -0.998 1.00 45.42 C ATOM 724 CD2 TYR A 48 -2.790 -9.392 -0.657 1.00 20.12 C ATOM 725 CE1 TYR A 48 -4.645 -7.856 -1.999 1.00 15.22 C ATOM 726 CE2 TYR A 48 -3.556 -9.958 -1.657 1.00 30.50 C ATOM 727 CZ TYR A 48 -4.482 -9.186 -2.324 1.00 30.23 C ATOM 728 OH TYR A 48 -5.250 -9.746 -3.319 1.00 53.51 O ATOM 0 H TYR A 48 -1.082 -6.579 3.048 1.00 20.20 H new ATOM 0 HA TYR A 48 -3.803 -7.079 2.009 1.00 32.35 H new ATOM 0 HB2 TYR A 48 -1.842 -6.414 0.500 1.00 42.31 H new ATOM 0 HB3 TYR A 48 -1.158 -7.985 0.865 1.00 42.31 H new ATOM 0 HD1 TYR A 48 -4.006 -6.256 -0.746 1.00 45.42 H new ATOM 0 HD2 TYR A 48 -2.064 -9.999 -0.137 1.00 20.12 H new ATOM 0 HE1 TYR A 48 -5.371 -7.254 -2.525 1.00 15.22 H new ATOM 0 HE2 TYR A 48 -3.430 -10.999 -1.915 1.00 30.50 H new ATOM 0 HH TYR A 48 -5.011 -10.690 -3.425 1.00 53.51 H new ATOM 738 N ASN A 49 -3.796 -9.035 3.602 1.00 1.13 N ATOM 739 CA ASN A 49 -3.988 -10.328 4.253 1.00 44.00 C ATOM 740 C ASN A 49 -2.786 -10.686 5.135 1.00 71.52 C ATOM 741 O ASN A 49 -2.238 -11.786 5.052 1.00 64.24 O ATOM 742 CB ASN A 49 -4.231 -11.432 3.212 1.00 61.34 C ATOM 743 CG ASN A 49 -4.813 -12.693 3.827 1.00 21.51 C ATOM 744 OD1 ASN A 49 -5.609 -12.631 4.764 1.00 73.20 O ATOM 745 ND2 ASN A 49 -4.419 -13.844 3.307 1.00 42.21 N ATOM 0 H ASN A 49 -4.499 -8.338 3.848 1.00 1.13 H new ATOM 0 HA ASN A 49 -4.869 -10.251 4.890 1.00 44.00 H new ATOM 0 HB2 ASN A 49 -4.909 -11.060 2.444 1.00 61.34 H new ATOM 0 HB3 ASN A 49 -3.290 -11.674 2.717 1.00 61.34 H new ATOM 0 HD21 ASN A 49 -4.777 -14.722 3.683 1.00 42.21 H new ATOM 0 HD22 ASN A 49 -3.758 -13.853 2.531 1.00 42.21 H new ATOM 752 N GLY A 50 -2.387 -9.749 5.983 1.00 32.45 N ATOM 753 CA GLY A 50 -1.326 -10.007 6.939 1.00 64.53 C ATOM 754 C GLY A 50 0.051 -9.556 6.479 1.00 64.24 C ATOM 755 O GLY A 50 0.950 -9.397 7.305 1.00 62.33 O ATOM 0 H GLY A 50 -2.781 -8.809 6.027 1.00 32.45 H new ATOM 0 HA2 GLY A 50 -1.566 -9.504 7.876 1.00 64.53 H new ATOM 0 HA3 GLY A 50 -1.294 -11.076 7.150 1.00 64.53 H new ATOM 759 N GLN A 51 0.232 -9.323 5.185 1.00 74.40 N ATOM 760 CA GLN A 51 1.526 -8.861 4.694 1.00 11.40 C ATOM 761 C GLN A 51 1.485 -7.371 4.385 1.00 2.20 C ATOM 762 O GLN A 51 0.452 -6.837 3.979 1.00 71.21 O ATOM 763 CB GLN A 51 1.984 -9.659 3.468 1.00 11.21 C ATOM 764 CG GLN A 51 1.091 -9.512 2.249 1.00 75.34 C ATOM 765 CD GLN A 51 1.505 -10.432 1.116 1.00 54.53 C ATOM 766 OE1 GLN A 51 2.330 -10.075 0.279 1.00 42.32 O ATOM 767 NE2 GLN A 51 0.935 -11.628 1.082 1.00 75.44 N ATOM 0 H GLN A 51 -0.484 -9.443 4.469 1.00 74.40 H new ATOM 0 HA GLN A 51 2.256 -9.029 5.485 1.00 11.40 H new ATOM 0 HB2 GLN A 51 2.993 -9.345 3.203 1.00 11.21 H new ATOM 0 HB3 GLN A 51 2.039 -10.714 3.737 1.00 11.21 H new ATOM 0 HG2 GLN A 51 0.060 -9.726 2.529 1.00 75.34 H new ATOM 0 HG3 GLN A 51 1.119 -8.479 1.903 1.00 75.34 H new ATOM 0 HE21 GLN A 51 0.254 -11.889 1.795 1.00 75.44 H new ATOM 0 HE22 GLN A 51 1.178 -12.288 0.343 1.00 75.44 H new ATOM 776 N THR A 52 2.611 -6.709 4.585 1.00 13.41 N ATOM 777 CA THR A 52 2.692 -5.267 4.416 1.00 63.41 C ATOM 778 C THR A 52 3.158 -4.895 3.011 1.00 23.23 C ATOM 779 O THR A 52 4.167 -5.408 2.528 1.00 61.14 O ATOM 780 CB THR A 52 3.658 -4.649 5.447 1.00 41.05 C ATOM 781 OG1 THR A 52 3.291 -5.062 6.772 1.00 24.03 O ATOM 782 CG2 THR A 52 3.650 -3.127 5.367 1.00 24.43 C ATOM 0 H THR A 52 3.487 -7.149 4.866 1.00 13.41 H new ATOM 0 HA THR A 52 1.689 -4.870 4.571 1.00 63.41 H new ATOM 0 HB THR A 52 4.664 -5.001 5.218 1.00 41.05 H new ATOM 0 HG1 THR A 52 3.910 -4.667 7.421 1.00 24.03 H new ATOM 0 HG21 THR A 52 4.341 -2.720 6.106 1.00 24.43 H new ATOM 0 HG22 THR A 52 3.959 -2.813 4.370 1.00 24.43 H new ATOM 0 HG23 THR A 52 2.645 -2.757 5.568 1.00 24.43 H new ATOM 790 N GLY A 53 2.418 -4.005 2.369 1.00 24.20 N ATOM 791 CA GLY A 53 2.805 -3.515 1.064 1.00 4.43 C ATOM 792 C GLY A 53 2.677 -2.008 0.974 1.00 51.11 C ATOM 793 O GLY A 53 2.134 -1.373 1.882 1.00 53.43 O ATOM 0 H GLY A 53 1.550 -3.611 2.732 1.00 24.20 H new ATOM 0 HA2 GLY A 53 3.834 -3.806 0.856 1.00 4.43 H new ATOM 0 HA3 GLY A 53 2.181 -3.980 0.300 1.00 4.43 H new ATOM 797 N TYR A 54 3.182 -1.433 -0.105 1.00 3.42 N ATOM 798 CA TYR A 54 3.104 0.005 -0.313 1.00 50.14 C ATOM 799 C TYR A 54 2.604 0.315 -1.716 1.00 63.00 C ATOM 800 O TYR A 54 2.796 -0.469 -2.646 1.00 44.55 O ATOM 801 CB TYR A 54 4.473 0.662 -0.117 1.00 22.30 C ATOM 802 CG TYR A 54 5.042 0.515 1.272 1.00 31.11 C ATOM 803 CD1 TYR A 54 4.749 1.442 2.260 1.00 33.02 C ATOM 804 CD2 TYR A 54 5.882 -0.544 1.589 1.00 72.33 C ATOM 805 CE1 TYR A 54 5.279 1.318 3.529 1.00 72.34 C ATOM 806 CE2 TYR A 54 6.413 -0.676 2.856 1.00 34.04 C ATOM 807 CZ TYR A 54 6.111 0.258 3.823 1.00 31.02 C ATOM 808 OH TYR A 54 6.640 0.132 5.088 1.00 12.31 O ATOM 0 H TYR A 54 3.652 -1.942 -0.854 1.00 3.42 H new ATOM 0 HA TYR A 54 2.406 0.406 0.422 1.00 50.14 H new ATOM 0 HB2 TYR A 54 5.175 0.231 -0.831 1.00 22.30 H new ATOM 0 HB3 TYR A 54 4.390 1.723 -0.352 1.00 22.30 H new ATOM 0 HD1 TYR A 54 4.097 2.273 2.034 1.00 33.02 H new ATOM 0 HD2 TYR A 54 6.124 -1.276 0.832 1.00 72.33 H new ATOM 0 HE1 TYR A 54 5.043 2.048 4.289 1.00 72.34 H new ATOM 0 HE2 TYR A 54 7.062 -1.507 3.088 1.00 34.04 H new ATOM 0 HH TYR A 54 6.194 -0.604 5.557 1.00 12.31 H new ATOM 818 N ILE A 55 1.947 1.453 -1.854 1.00 42.34 N ATOM 819 CA ILE A 55 1.542 1.958 -3.158 1.00 51.32 C ATOM 820 C ILE A 55 1.657 3.474 -3.185 1.00 24.00 C ATOM 821 O ILE A 55 1.585 4.126 -2.137 1.00 3.33 O ATOM 822 CB ILE A 55 0.101 1.525 -3.549 1.00 73.52 C ATOM 823 CG1 ILE A 55 -0.886 1.730 -2.394 1.00 72.22 C ATOM 824 CG2 ILE A 55 0.080 0.077 -4.011 1.00 71.53 C ATOM 825 CD1 ILE A 55 -1.441 3.135 -2.295 1.00 13.11 C ATOM 0 H ILE A 55 1.680 2.051 -1.072 1.00 42.34 H new ATOM 0 HA ILE A 55 2.216 1.521 -3.895 1.00 51.32 H new ATOM 0 HB ILE A 55 -0.216 2.162 -4.375 1.00 73.52 H new ATOM 0 HG12 ILE A 55 -1.715 1.031 -2.510 1.00 72.22 H new ATOM 0 HG13 ILE A 55 -0.388 1.481 -1.457 1.00 72.22 H new ATOM 0 HG21 ILE A 55 -0.938 -0.205 -4.280 1.00 71.53 H new ATOM 0 HG22 ILE A 55 0.729 -0.037 -4.879 1.00 71.53 H new ATOM 0 HG23 ILE A 55 0.434 -0.567 -3.206 1.00 71.53 H new ATOM 0 HD11 ILE A 55 -2.130 3.195 -1.453 1.00 13.11 H new ATOM 0 HD12 ILE A 55 -0.623 3.840 -2.145 1.00 13.11 H new ATOM 0 HD13 ILE A 55 -1.970 3.383 -3.215 1.00 13.11 H new ATOM 837 N GLY A 56 1.867 4.028 -4.364 1.00 42.32 N ATOM 838 CA GLY A 56 1.943 5.464 -4.496 1.00 54.20 C ATOM 839 C GLY A 56 0.576 6.100 -4.394 1.00 20.22 C ATOM 840 O GLY A 56 -0.347 5.709 -5.106 1.00 70.12 O ATOM 0 H GLY A 56 1.986 3.509 -5.234 1.00 42.32 H new ATOM 0 HA2 GLY A 56 2.593 5.868 -3.720 1.00 54.20 H new ATOM 0 HA3 GLY A 56 2.394 5.719 -5.455 1.00 54.20 H new ATOM 844 N THR A 57 0.452 7.093 -3.525 1.00 74.40 N ATOM 845 CA THR A 57 -0.832 7.727 -3.241 1.00 44.04 C ATOM 846 C THR A 57 -1.413 8.450 -4.468 1.00 43.13 C ATOM 847 O THR A 57 -2.533 8.962 -4.424 1.00 45.24 O ATOM 848 CB THR A 57 -0.682 8.711 -2.066 1.00 4.52 C ATOM 849 OG1 THR A 57 0.115 8.097 -1.047 1.00 42.20 O ATOM 850 CG2 THR A 57 -2.033 9.088 -1.478 1.00 10.32 C ATOM 0 H THR A 57 1.234 7.482 -2.998 1.00 74.40 H new ATOM 0 HA THR A 57 -1.533 6.937 -2.973 1.00 44.04 H new ATOM 0 HB THR A 57 -0.207 9.619 -2.437 1.00 4.52 H new ATOM 0 HG1 THR A 57 -0.395 7.376 -0.623 1.00 42.20 H new ATOM 0 HG21 THR A 57 -1.889 9.783 -0.651 1.00 10.32 H new ATOM 0 HG22 THR A 57 -2.645 9.560 -2.246 1.00 10.32 H new ATOM 0 HG23 THR A 57 -2.535 8.191 -1.114 1.00 10.32 H new ATOM 858 N ARG A 58 -0.656 8.485 -5.561 1.00 24.45 N ATOM 859 CA ARG A 58 -1.131 9.073 -6.798 1.00 23.14 C ATOM 860 C ARG A 58 -2.244 8.218 -7.393 1.00 64.31 C ATOM 861 O ARG A 58 -3.174 8.736 -8.006 1.00 31.12 O ATOM 862 CB ARG A 58 0.013 9.205 -7.799 1.00 32.43 C ATOM 863 CG ARG A 58 1.249 9.886 -7.237 1.00 13.21 C ATOM 864 CD ARG A 58 2.249 10.226 -8.332 1.00 31.10 C ATOM 865 NE ARG A 58 2.479 9.103 -9.240 1.00 30.32 N ATOM 866 CZ ARG A 58 3.644 8.472 -9.370 1.00 30.40 C ATOM 867 NH1 ARG A 58 4.682 8.823 -8.623 1.00 22.12 N ATOM 868 NH2 ARG A 58 3.763 7.489 -10.253 1.00 14.43 N ATOM 0 H ARG A 58 0.291 8.110 -5.609 1.00 24.45 H new ATOM 0 HA ARG A 58 -1.523 10.066 -6.580 1.00 23.14 H new ATOM 0 HB2 ARG A 58 0.288 8.212 -8.155 1.00 32.43 H new ATOM 0 HB3 ARG A 58 -0.338 9.768 -8.664 1.00 32.43 H new ATOM 0 HG2 ARG A 58 0.957 10.797 -6.715 1.00 13.21 H new ATOM 0 HG3 ARG A 58 1.721 9.234 -6.502 1.00 13.21 H new ATOM 0 HD2 ARG A 58 1.885 11.082 -8.901 1.00 31.10 H new ATOM 0 HD3 ARG A 58 3.194 10.523 -7.878 1.00 31.10 H new ATOM 0 HE ARG A 58 1.696 8.783 -9.810 1.00 30.32 H new ATOM 0 HH11 ARG A 58 4.590 9.580 -7.945 1.00 22.12 H new ATOM 0 HH12 ARG A 58 5.572 8.336 -8.726 1.00 22.12 H new ATOM 0 HH21 ARG A 58 2.964 7.220 -10.828 1.00 14.43 H new ATOM 0 HH22 ARG A 58 4.653 7.002 -10.357 1.00 14.43 H new ATOM 882 N TYR A 59 -2.140 6.906 -7.215 1.00 10.24 N ATOM 883 CA TYR A 59 -3.164 5.992 -7.678 1.00 3.11 C ATOM 884 C TYR A 59 -3.566 5.042 -6.566 1.00 62.10 C ATOM 885 O TYR A 59 -2.749 4.276 -6.062 1.00 50.22 O ATOM 886 CB TYR A 59 -2.684 5.204 -8.892 1.00 4.14 C ATOM 887 CG TYR A 59 -3.091 5.824 -10.208 1.00 64.53 C ATOM 888 CD1 TYR A 59 -2.333 6.834 -10.780 1.00 20.55 C ATOM 889 CD2 TYR A 59 -4.238 5.407 -10.872 1.00 3.22 C ATOM 890 CE1 TYR A 59 -2.704 7.414 -11.978 1.00 71.33 C ATOM 891 CE2 TYR A 59 -4.615 5.983 -12.072 1.00 52.33 C ATOM 892 CZ TYR A 59 -3.844 6.987 -12.620 1.00 63.31 C ATOM 893 OH TYR A 59 -4.219 7.567 -13.813 1.00 11.31 O ATOM 0 H TYR A 59 -1.352 6.455 -6.751 1.00 10.24 H new ATOM 0 HA TYR A 59 -4.033 6.580 -7.973 1.00 3.11 H new ATOM 0 HB2 TYR A 59 -1.598 5.123 -8.857 1.00 4.14 H new ATOM 0 HB3 TYR A 59 -3.081 4.190 -8.838 1.00 4.14 H new ATOM 0 HD1 TYR A 59 -1.437 7.173 -10.281 1.00 20.55 H new ATOM 0 HD2 TYR A 59 -4.844 4.622 -10.445 1.00 3.22 H new ATOM 0 HE1 TYR A 59 -2.101 8.200 -12.409 1.00 71.33 H new ATOM 0 HE2 TYR A 59 -5.509 5.648 -12.577 1.00 52.33 H new ATOM 0 HH TYR A 59 -5.046 7.150 -14.134 1.00 11.31 H new ATOM 903 N LEU A 60 -4.830 5.094 -6.203 1.00 73.13 N ATOM 904 CA LEU A 60 -5.351 4.279 -5.123 1.00 43.42 C ATOM 905 C LEU A 60 -6.848 4.091 -5.331 1.00 44.53 C ATOM 906 O LEU A 60 -7.575 5.059 -5.564 1.00 22.14 O ATOM 907 CB LEU A 60 -5.069 4.970 -3.776 1.00 32.13 C ATOM 908 CG LEU A 60 -4.985 4.059 -2.540 1.00 11.05 C ATOM 909 CD1 LEU A 60 -4.482 4.849 -1.345 1.00 72.33 C ATOM 910 CD2 LEU A 60 -6.329 3.430 -2.209 1.00 34.14 C ATOM 0 H LEU A 60 -5.523 5.698 -6.644 1.00 73.13 H new ATOM 0 HA LEU A 60 -4.866 3.303 -5.116 1.00 43.42 H new ATOM 0 HB2 LEU A 60 -4.129 5.515 -3.863 1.00 32.13 H new ATOM 0 HB3 LEU A 60 -5.851 5.709 -3.602 1.00 32.13 H new ATOM 0 HG LEU A 60 -4.286 3.255 -2.771 1.00 11.05 H new ATOM 0 HD11 LEU A 60 -4.426 4.196 -0.474 1.00 72.33 H new ATOM 0 HD12 LEU A 60 -3.492 5.248 -1.564 1.00 72.33 H new ATOM 0 HD13 LEU A 60 -5.167 5.671 -1.138 1.00 72.33 H new ATOM 0 HD21 LEU A 60 -6.226 2.794 -1.330 1.00 34.14 H new ATOM 0 HD22 LEU A 60 -7.058 4.215 -2.006 1.00 34.14 H new ATOM 0 HD23 LEU A 60 -6.668 2.830 -3.053 1.00 34.14 H new ATOM 922 N SER A 61 -7.304 2.852 -5.269 1.00 20.43 N ATOM 923 CA SER A 61 -8.709 2.562 -5.461 1.00 13.22 C ATOM 924 C SER A 61 -9.437 2.674 -4.128 1.00 24.14 C ATOM 925 O SER A 61 -9.098 1.985 -3.166 1.00 53.02 O ATOM 926 CB SER A 61 -8.885 1.164 -6.057 1.00 4.44 C ATOM 927 OG SER A 61 -10.203 0.970 -6.544 1.00 11.24 O ATOM 0 H SER A 61 -6.721 2.035 -5.088 1.00 20.43 H new ATOM 0 HA SER A 61 -9.135 3.284 -6.158 1.00 13.22 H new ATOM 0 HB2 SER A 61 -8.171 1.020 -6.868 1.00 4.44 H new ATOM 0 HB3 SER A 61 -8.662 0.413 -5.299 1.00 4.44 H new ATOM 0 HG SER A 61 -10.170 0.476 -7.390 1.00 11.24 H new ATOM 933 N LYS A 62 -10.416 3.563 -4.076 1.00 33.04 N ATOM 934 CA LYS A 62 -11.192 3.791 -2.864 1.00 52.14 C ATOM 935 C LYS A 62 -12.199 2.656 -2.649 1.00 43.40 C ATOM 936 O LYS A 62 -12.077 1.587 -3.247 1.00 12.34 O ATOM 937 CB LYS A 62 -11.908 5.132 -2.965 1.00 64.30 C ATOM 938 CG LYS A 62 -12.069 5.824 -1.623 1.00 25.41 C ATOM 939 CD LYS A 62 -12.654 7.212 -1.777 1.00 23.11 C ATOM 940 CE LYS A 62 -11.803 8.088 -2.688 1.00 34.15 C ATOM 941 NZ LYS A 62 -10.433 8.302 -2.151 1.00 13.43 N ATOM 0 H LYS A 62 -10.695 4.144 -4.866 1.00 33.04 H new ATOM 0 HA LYS A 62 -10.519 3.810 -2.007 1.00 52.14 H new ATOM 0 HB2 LYS A 62 -11.352 5.784 -3.639 1.00 64.30 H new ATOM 0 HB3 LYS A 62 -12.892 4.979 -3.409 1.00 64.30 H new ATOM 0 HG2 LYS A 62 -12.715 5.226 -0.980 1.00 25.41 H new ATOM 0 HG3 LYS A 62 -11.100 5.890 -1.129 1.00 25.41 H new ATOM 0 HD2 LYS A 62 -13.663 7.138 -2.183 1.00 23.11 H new ATOM 0 HD3 LYS A 62 -12.738 7.681 -0.797 1.00 23.11 H new ATOM 0 HE2 LYS A 62 -11.736 7.626 -3.673 1.00 34.15 H new ATOM 0 HE3 LYS A 62 -12.293 9.053 -2.821 1.00 34.15 H new ATOM 0 HZ1 LYS A 62 -9.927 8.984 -2.752 1.00 13.43 H new ATOM 0 HZ2 LYS A 62 -10.494 8.673 -1.181 1.00 13.43 H new ATOM 0 HZ3 LYS A 62 -9.918 7.399 -2.144 1.00 13.43 H new