USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=13 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 29:sc= 0.913 USER MOD Set 1.2: A 57 THR OG1 : rot 117:sc= 2.15 USER MOD Single : A 13 ASN : amide:sc= 0.677 K(o=0.68,f=-0.26) USER MOD Single : A 16 SER OG : rot -48:sc= -0.715 USER MOD Single : A 20 THR OG1 : rot 136:sc= 0.589 USER MOD Single : A 21 ASN : amide:sc= -1.44 K(o=-1.4,f=-8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.0277 X(o=0.028,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0.385 (180deg=0.345) USER MOD Single : A 35 GLN : amide:sc= -0.0176 K(o=-0.018,f=-4.1!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.128 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 41 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= -0.0703 K(o=-0.07,f=-2.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 130:sc= -0.0788 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 154 N ALA A 11 -7.039 3.146 -13.188 1.00 44.43 N ATOM 155 CA ALA A 11 -5.790 2.441 -13.501 1.00 43.31 C ATOM 156 C ALA A 11 -4.716 2.638 -12.428 1.00 62.23 C ATOM 157 O ALA A 11 -4.639 3.688 -11.787 1.00 60.32 O ATOM 158 CB ALA A 11 -5.259 2.850 -14.870 1.00 20.54 C ATOM 0 HA ALA A 11 -6.031 1.378 -13.520 1.00 43.31 H new ATOM 0 HB1 ALA A 11 -4.333 2.313 -15.077 1.00 20.54 H new ATOM 0 HB2 ALA A 11 -5.998 2.607 -15.634 1.00 20.54 H new ATOM 0 HB3 ALA A 11 -5.066 3.923 -14.880 1.00 20.54 H new ATOM 164 N LEU A 12 -3.901 1.597 -12.230 1.00 3.15 N ATOM 165 CA LEU A 12 -2.758 1.636 -11.307 1.00 63.01 C ATOM 166 C LEU A 12 -3.196 1.905 -9.865 1.00 13.14 C ATOM 167 O LEU A 12 -2.385 2.304 -9.031 1.00 43.33 O ATOM 168 CB LEU A 12 -1.747 2.701 -11.751 1.00 31.14 C ATOM 169 CG LEU A 12 -1.195 2.525 -13.167 1.00 14.42 C ATOM 170 CD1 LEU A 12 -0.221 3.643 -13.497 1.00 71.00 C ATOM 171 CD2 LEU A 12 -0.519 1.168 -13.313 1.00 11.33 C ATOM 0 H LEU A 12 -4.014 0.701 -12.705 1.00 3.15 H new ATOM 0 HA LEU A 12 -2.286 0.654 -11.336 1.00 63.01 H new ATOM 0 HB2 LEU A 12 -2.221 3.680 -11.682 1.00 31.14 H new ATOM 0 HB3 LEU A 12 -0.912 2.701 -11.050 1.00 31.14 H new ATOM 0 HG LEU A 12 -2.027 2.571 -13.870 1.00 14.42 H new ATOM 0 HD11 LEU A 12 0.163 3.504 -14.508 1.00 71.00 H new ATOM 0 HD12 LEU A 12 -0.733 4.603 -13.432 1.00 71.00 H new ATOM 0 HD13 LEU A 12 0.607 3.625 -12.788 1.00 71.00 H new ATOM 0 HD21 LEU A 12 -0.133 1.061 -14.327 1.00 11.33 H new ATOM 0 HD22 LEU A 12 0.303 1.093 -12.601 1.00 11.33 H new ATOM 0 HD23 LEU A 12 -1.243 0.378 -13.116 1.00 11.33 H new ATOM 183 N ASN A 13 -4.468 1.629 -9.578 1.00 52.23 N ATOM 184 CA ASN A 13 -5.063 1.931 -8.274 1.00 71.51 C ATOM 185 C ASN A 13 -4.255 1.339 -7.125 1.00 54.31 C ATOM 186 O ASN A 13 -4.047 1.993 -6.108 1.00 14.44 O ATOM 187 CB ASN A 13 -6.501 1.409 -8.203 1.00 61.11 C ATOM 188 CG ASN A 13 -7.380 1.949 -9.316 1.00 11.42 C ATOM 189 OD1 ASN A 13 -7.518 1.324 -10.364 1.00 45.33 O ATOM 190 ND2 ASN A 13 -7.966 3.114 -9.104 1.00 42.13 N ATOM 0 H ASN A 13 -5.112 1.193 -10.237 1.00 52.23 H new ATOM 0 HA ASN A 13 -5.060 3.016 -8.170 1.00 71.51 H new ATOM 0 HB2 ASN A 13 -6.490 0.320 -8.251 1.00 61.11 H new ATOM 0 HB3 ASN A 13 -6.934 1.681 -7.240 1.00 61.11 H new ATOM 0 HD21 ASN A 13 -8.558 3.526 -9.825 1.00 42.13 H new ATOM 0 HD22 ASN A 13 -7.826 3.602 -8.219 1.00 42.13 H new ATOM 197 N VAL A 14 -3.819 0.094 -7.279 1.00 30.53 N ATOM 198 CA VAL A 14 -3.002 -0.552 -6.268 1.00 71.15 C ATOM 199 C VAL A 14 -1.809 -1.256 -6.904 1.00 22.44 C ATOM 200 O VAL A 14 -1.517 -2.404 -6.602 1.00 34.10 O ATOM 201 CB VAL A 14 -3.820 -1.553 -5.422 1.00 72.31 C ATOM 202 CG1 VAL A 14 -4.354 -0.875 -4.170 1.00 74.02 C ATOM 203 CG2 VAL A 14 -4.969 -2.136 -6.229 1.00 4.33 C ATOM 0 H VAL A 14 -4.019 -0.485 -8.095 1.00 30.53 H new ATOM 0 HA VAL A 14 -2.638 0.230 -5.602 1.00 71.15 H new ATOM 0 HB VAL A 14 -3.158 -2.368 -5.129 1.00 72.31 H new ATOM 0 HG11 VAL A 14 -4.928 -1.593 -3.584 1.00 74.02 H new ATOM 0 HG12 VAL A 14 -3.521 -0.504 -3.574 1.00 74.02 H new ATOM 0 HG13 VAL A 14 -4.997 -0.041 -4.454 1.00 74.02 H new ATOM 0 HG21 VAL A 14 -5.529 -2.837 -5.610 1.00 4.33 H new ATOM 0 HG22 VAL A 14 -5.629 -1.332 -6.555 1.00 4.33 H new ATOM 0 HG23 VAL A 14 -4.574 -2.657 -7.101 1.00 4.33 H new ATOM 213 N ARG A 15 -1.109 -0.542 -7.779 1.00 1.33 N ATOM 214 CA ARG A 15 0.036 -1.101 -8.506 1.00 1.44 C ATOM 215 C ARG A 15 1.301 -1.103 -7.629 1.00 72.53 C ATOM 216 O ARG A 15 2.424 -1.050 -8.134 1.00 24.35 O ATOM 217 CB ARG A 15 0.263 -0.280 -9.781 1.00 63.43 C ATOM 218 CG ARG A 15 1.177 -0.927 -10.815 1.00 30.32 C ATOM 219 CD ARG A 15 0.611 -2.236 -11.336 1.00 74.42 C ATOM 220 NE ARG A 15 1.036 -2.496 -12.715 1.00 5.22 N ATOM 221 CZ ARG A 15 1.054 -3.702 -13.285 1.00 54.14 C ATOM 222 NH1 ARG A 15 0.821 -4.789 -12.564 1.00 12.23 N ATOM 223 NH2 ARG A 15 1.339 -3.824 -14.576 1.00 11.33 N ATOM 0 H ARG A 15 -1.313 0.431 -8.006 1.00 1.33 H new ATOM 0 HA ARG A 15 -0.178 -2.136 -8.771 1.00 1.44 H new ATOM 0 HB2 ARG A 15 -0.704 -0.085 -10.245 1.00 63.43 H new ATOM 0 HB3 ARG A 15 0.683 0.686 -9.502 1.00 63.43 H new ATOM 0 HG2 ARG A 15 1.326 -0.240 -11.648 1.00 30.32 H new ATOM 0 HG3 ARG A 15 2.156 -1.107 -10.371 1.00 30.32 H new ATOM 0 HD2 ARG A 15 0.936 -3.055 -10.694 1.00 74.42 H new ATOM 0 HD3 ARG A 15 -0.478 -2.207 -11.289 1.00 74.42 H new ATOM 0 HE ARG A 15 1.339 -1.700 -13.277 1.00 5.22 H new ATOM 0 HH11 ARG A 15 0.626 -4.707 -11.566 1.00 12.23 H new ATOM 0 HH12 ARG A 15 0.836 -5.708 -13.007 1.00 12.23 H new ATOM 0 HH21 ARG A 15 1.545 -2.995 -15.133 1.00 11.33 H new ATOM 0 HH22 ARG A 15 1.352 -4.747 -15.010 1.00 11.33 H new ATOM 237 N SER A 16 1.095 -1.173 -6.313 1.00 5.32 N ATOM 238 CA SER A 16 2.183 -1.219 -5.336 1.00 4.13 C ATOM 239 C SER A 16 3.111 -0.012 -5.481 1.00 74.20 C ATOM 240 O SER A 16 4.315 -0.096 -5.231 1.00 72.50 O ATOM 241 CB SER A 16 2.968 -2.526 -5.479 1.00 62.42 C ATOM 242 OG SER A 16 3.860 -2.721 -4.392 1.00 40.00 O ATOM 0 H SER A 16 0.166 -1.199 -5.894 1.00 5.32 H new ATOM 0 HA SER A 16 1.745 -1.181 -4.339 1.00 4.13 H new ATOM 0 HB2 SER A 16 2.273 -3.364 -5.535 1.00 62.42 H new ATOM 0 HB3 SER A 16 3.529 -2.514 -6.413 1.00 62.42 H new ATOM 0 HG SER A 16 4.376 -1.902 -4.242 1.00 40.00 H new ATOM 248 N GLY A 17 2.541 1.115 -5.874 1.00 4.42 N ATOM 249 CA GLY A 17 3.316 2.326 -5.988 1.00 5.33 C ATOM 250 C GLY A 17 3.504 2.744 -7.422 1.00 53.51 C ATOM 251 O GLY A 17 2.535 2.890 -8.164 1.00 52.24 O ATOM 0 H GLY A 17 1.555 1.211 -6.116 1.00 4.42 H new ATOM 0 HA2 GLY A 17 2.820 3.127 -5.439 1.00 5.33 H new ATOM 0 HA3 GLY A 17 4.291 2.177 -5.523 1.00 5.33 H new ATOM 255 N GLU A 18 4.755 2.903 -7.818 1.00 73.33 N ATOM 256 CA GLU A 18 5.083 3.348 -9.167 1.00 65.22 C ATOM 257 C GLU A 18 5.146 2.161 -10.118 1.00 34.32 C ATOM 258 O GLU A 18 5.596 2.284 -11.259 1.00 71.14 O ATOM 259 CB GLU A 18 6.434 4.063 -9.162 1.00 14.41 C ATOM 260 CG GLU A 18 6.610 5.027 -8.001 1.00 71.01 C ATOM 261 CD GLU A 18 5.500 6.052 -7.912 1.00 5.41 C ATOM 262 OE1 GLU A 18 5.287 6.780 -8.902 1.00 65.43 O ATOM 263 OE2 GLU A 18 4.840 6.130 -6.856 1.00 71.54 O ATOM 0 H GLU A 18 5.566 2.730 -7.224 1.00 73.33 H new ATOM 0 HA GLU A 18 4.305 4.033 -9.504 1.00 65.22 H new ATOM 0 HB2 GLU A 18 7.229 3.318 -9.128 1.00 14.41 H new ATOM 0 HB3 GLU A 18 6.549 4.610 -10.098 1.00 14.41 H new ATOM 0 HG2 GLU A 18 6.651 4.462 -7.070 1.00 71.01 H new ATOM 0 HG3 GLU A 18 7.565 5.542 -8.104 1.00 71.01 H new ATOM 270 N GLY A 19 4.672 1.017 -9.645 1.00 64.40 N ATOM 271 CA GLY A 19 4.862 -0.223 -10.366 1.00 55.05 C ATOM 272 C GLY A 19 6.182 -0.852 -9.991 1.00 23.32 C ATOM 273 O GLY A 19 6.693 -1.728 -10.690 1.00 4.24 O ATOM 0 H GLY A 19 4.156 0.927 -8.770 1.00 64.40 H new ATOM 0 HA2 GLY A 19 4.047 -0.911 -10.141 1.00 55.05 H new ATOM 0 HA3 GLY A 19 4.833 -0.035 -11.439 1.00 55.05 H new ATOM 277 N THR A 20 6.732 -0.382 -8.878 1.00 31.44 N ATOM 278 CA THR A 20 8.015 -0.847 -8.384 1.00 72.13 C ATOM 279 C THR A 20 7.955 -2.335 -8.041 1.00 24.11 C ATOM 280 O THR A 20 8.750 -3.130 -8.538 1.00 44.52 O ATOM 281 CB THR A 20 8.437 -0.034 -7.151 1.00 71.22 C ATOM 282 OG1 THR A 20 8.224 1.360 -7.416 1.00 42.03 O ATOM 283 CG2 THR A 20 9.903 -0.270 -6.815 1.00 42.42 C ATOM 0 H THR A 20 6.298 0.333 -8.294 1.00 31.44 H new ATOM 0 HA THR A 20 8.757 -0.705 -9.170 1.00 72.13 H new ATOM 0 HB THR A 20 7.837 -0.353 -6.299 1.00 71.22 H new ATOM 0 HG1 THR A 20 7.802 1.780 -6.638 1.00 42.03 H new ATOM 0 HG21 THR A 20 10.175 0.318 -5.938 1.00 42.42 H new ATOM 0 HG22 THR A 20 10.063 -1.328 -6.606 1.00 42.42 H new ATOM 0 HG23 THR A 20 10.523 0.031 -7.660 1.00 42.42 H new ATOM 291 N ASN A 21 7.000 -2.710 -7.203 1.00 44.21 N ATOM 292 CA ASN A 21 6.795 -4.109 -6.872 1.00 73.33 C ATOM 293 C ASN A 21 5.595 -4.635 -7.648 1.00 62.35 C ATOM 294 O ASN A 21 4.448 -4.409 -7.280 1.00 72.23 O ATOM 295 CB ASN A 21 6.589 -4.295 -5.368 1.00 64.41 C ATOM 296 CG ASN A 21 6.667 -5.753 -4.946 1.00 64.10 C ATOM 297 OD1 ASN A 21 6.326 -6.662 -5.709 1.00 52.42 O ATOM 298 ND2 ASN A 21 7.119 -5.992 -3.725 1.00 11.41 N ATOM 0 H ASN A 21 6.357 -2.066 -6.742 1.00 44.21 H new ATOM 0 HA ASN A 21 7.684 -4.674 -7.152 1.00 73.33 H new ATOM 0 HB2 ASN A 21 7.343 -3.723 -4.828 1.00 64.41 H new ATOM 0 HB3 ASN A 21 5.618 -3.890 -5.085 1.00 64.41 H new ATOM 0 HD21 ASN A 21 7.194 -6.952 -3.388 1.00 11.41 H new ATOM 0 HD22 ASN A 21 7.392 -5.216 -3.121 1.00 11.41 H new ATOM 305 N TYR A 22 5.875 -5.338 -8.728 1.00 31.52 N ATOM 306 CA TYR A 22 4.838 -5.776 -9.650 1.00 13.53 C ATOM 307 C TYR A 22 4.348 -7.180 -9.312 1.00 1.34 C ATOM 308 O TYR A 22 3.534 -7.750 -10.037 1.00 11.44 O ATOM 309 CB TYR A 22 5.371 -5.735 -11.087 1.00 61.32 C ATOM 310 CG TYR A 22 6.697 -6.445 -11.264 1.00 31.51 C ATOM 311 CD1 TYR A 22 7.897 -5.780 -11.040 1.00 0.11 C ATOM 312 CD2 TYR A 22 6.750 -7.781 -11.642 1.00 23.21 C ATOM 313 CE1 TYR A 22 9.107 -6.423 -11.191 1.00 73.12 C ATOM 314 CE2 TYR A 22 7.958 -8.432 -11.793 1.00 4.03 C ATOM 315 CZ TYR A 22 9.133 -7.749 -11.567 1.00 11.13 C ATOM 316 OH TYR A 22 10.339 -8.397 -11.703 1.00 2.34 O ATOM 0 H TYR A 22 6.819 -5.621 -8.992 1.00 31.52 H new ATOM 0 HA TYR A 22 3.991 -5.096 -9.556 1.00 13.53 H new ATOM 0 HB2 TYR A 22 4.635 -6.188 -11.751 1.00 61.32 H new ATOM 0 HB3 TYR A 22 5.482 -4.695 -11.395 1.00 61.32 H new ATOM 0 HD1 TYR A 22 7.881 -4.742 -10.743 1.00 0.11 H new ATOM 0 HD2 TYR A 22 5.831 -8.319 -11.821 1.00 23.21 H new ATOM 0 HE1 TYR A 22 10.030 -5.891 -11.016 1.00 73.12 H new ATOM 0 HE2 TYR A 22 7.982 -9.471 -12.087 1.00 4.03 H new ATOM 0 HH TYR A 22 10.183 -9.326 -11.972 1.00 2.34 H new ATOM 326 N ARG A 23 4.836 -7.729 -8.207 1.00 73.44 N ATOM 327 CA ARG A 23 4.504 -9.098 -7.836 1.00 72.22 C ATOM 328 C ARG A 23 3.426 -9.165 -6.754 1.00 52.35 C ATOM 329 O ARG A 23 2.553 -10.032 -6.801 1.00 11.43 O ATOM 330 CB ARG A 23 5.757 -9.841 -7.358 1.00 42.02 C ATOM 331 CG ARG A 23 6.772 -10.118 -8.458 1.00 13.53 C ATOM 332 CD ARG A 23 7.980 -10.864 -7.914 1.00 52.51 C ATOM 333 NE ARG A 23 8.920 -11.254 -8.964 1.00 43.13 N ATOM 334 CZ ARG A 23 10.160 -11.683 -8.727 1.00 73.51 C ATOM 335 NH1 ARG A 23 10.607 -11.767 -7.480 1.00 11.23 N ATOM 336 NH2 ARG A 23 10.957 -12.028 -9.731 1.00 72.31 N ATOM 0 H ARG A 23 5.459 -7.251 -7.556 1.00 73.44 H new ATOM 0 HA ARG A 23 4.107 -9.579 -8.730 1.00 72.22 H new ATOM 0 HB2 ARG A 23 6.237 -9.255 -6.574 1.00 42.02 H new ATOM 0 HB3 ARG A 23 5.456 -10.788 -6.909 1.00 42.02 H new ATOM 0 HG2 ARG A 23 6.305 -10.705 -9.249 1.00 13.53 H new ATOM 0 HG3 ARG A 23 7.093 -9.178 -8.906 1.00 13.53 H new ATOM 0 HD2 ARG A 23 8.494 -10.235 -7.187 1.00 52.51 H new ATOM 0 HD3 ARG A 23 7.644 -11.755 -7.383 1.00 52.51 H new ATOM 0 HE ARG A 23 8.609 -11.194 -9.934 1.00 43.13 H new ATOM 0 HH11 ARG A 23 10.002 -11.503 -6.702 1.00 11.23 H new ATOM 0 HH12 ARG A 23 11.556 -12.095 -7.299 1.00 11.23 H new ATOM 0 HH21 ARG A 23 10.622 -11.966 -10.692 1.00 72.31 H new ATOM 0 HH22 ARG A 23 11.904 -12.355 -9.541 1.00 72.31 H new ATOM 350 N ILE A 24 3.474 -8.253 -5.789 1.00 13.02 N ATOM 351 CA ILE A 24 2.628 -8.372 -4.604 1.00 41.41 C ATOM 352 C ILE A 24 1.205 -7.834 -4.827 1.00 22.20 C ATOM 353 O ILE A 24 0.232 -8.564 -4.622 1.00 33.41 O ATOM 354 CB ILE A 24 3.279 -7.694 -3.366 1.00 62.21 C ATOM 355 CG1 ILE A 24 2.383 -7.859 -2.132 1.00 64.34 C ATOM 356 CG2 ILE A 24 3.574 -6.220 -3.632 1.00 42.35 C ATOM 357 CD1 ILE A 24 2.971 -7.276 -0.864 1.00 63.02 C ATOM 0 H ILE A 24 4.081 -7.433 -5.801 1.00 13.02 H new ATOM 0 HA ILE A 24 2.539 -9.440 -4.407 1.00 41.41 H new ATOM 0 HB ILE A 24 4.230 -8.189 -3.171 1.00 62.21 H new ATOM 0 HG12 ILE A 24 1.422 -7.384 -2.327 1.00 64.34 H new ATOM 0 HG13 ILE A 24 2.188 -8.920 -1.976 1.00 64.34 H new ATOM 0 HG21 ILE A 24 4.029 -5.775 -2.747 1.00 42.35 H new ATOM 0 HG22 ILE A 24 4.259 -6.132 -4.475 1.00 42.35 H new ATOM 0 HG23 ILE A 24 2.645 -5.699 -3.864 1.00 42.35 H new ATOM 0 HD11 ILE A 24 2.279 -7.432 -0.037 1.00 63.02 H new ATOM 0 HD12 ILE A 24 3.918 -7.768 -0.643 1.00 63.02 H new ATOM 0 HD13 ILE A 24 3.140 -6.208 -0.999 1.00 63.02 H new ATOM 369 N ILE A 25 1.074 -6.583 -5.255 1.00 2.12 N ATOM 370 CA ILE A 25 -0.237 -5.953 -5.377 1.00 70.21 C ATOM 371 C ILE A 25 -0.414 -5.383 -6.786 1.00 42.23 C ATOM 372 O ILE A 25 0.560 -4.967 -7.415 1.00 51.00 O ATOM 373 CB ILE A 25 -0.418 -4.824 -4.330 1.00 14.23 C ATOM 374 CG1 ILE A 25 0.069 -5.272 -2.954 1.00 42.51 C ATOM 375 CG2 ILE A 25 -1.871 -4.384 -4.253 1.00 73.22 C ATOM 376 CD1 ILE A 25 0.146 -4.152 -1.939 1.00 74.02 C ATOM 0 H ILE A 25 1.857 -5.986 -5.523 1.00 2.12 H new ATOM 0 HA ILE A 25 -0.995 -6.715 -5.193 1.00 70.21 H new ATOM 0 HB ILE A 25 0.185 -3.975 -4.651 1.00 14.23 H new ATOM 0 HG12 ILE A 25 -0.599 -6.046 -2.577 1.00 42.51 H new ATOM 0 HG13 ILE A 25 1.055 -5.724 -3.057 1.00 42.51 H new ATOM 0 HG21 ILE A 25 -1.972 -3.591 -3.512 1.00 73.22 H new ATOM 0 HG22 ILE A 25 -2.191 -4.013 -5.227 1.00 73.22 H new ATOM 0 HG23 ILE A 25 -2.493 -5.232 -3.965 1.00 73.22 H new ATOM 0 HD11 ILE A 25 0.500 -4.548 -0.987 1.00 74.02 H new ATOM 0 HD12 ILE A 25 0.837 -3.387 -2.293 1.00 74.02 H new ATOM 0 HD13 ILE A 25 -0.843 -3.714 -1.805 1.00 74.02 H new ATOM 388 N GLY A 26 -1.650 -5.368 -7.271 1.00 21.12 N ATOM 389 CA GLY A 26 -1.932 -4.908 -8.612 1.00 51.01 C ATOM 390 C GLY A 26 -3.316 -4.308 -8.699 1.00 3.22 C ATOM 391 O GLY A 26 -4.167 -4.597 -7.855 1.00 62.14 O ATOM 0 H GLY A 26 -2.471 -5.672 -6.748 1.00 21.12 H new ATOM 0 HA2 GLY A 26 -1.191 -4.166 -8.909 1.00 51.01 H new ATOM 0 HA3 GLY A 26 -1.848 -5.740 -9.311 1.00 51.01 H new ATOM 395 N ALA A 27 -3.554 -3.480 -9.708 1.00 73.25 N ATOM 396 CA ALA A 27 -4.813 -2.760 -9.808 1.00 32.24 C ATOM 397 C ALA A 27 -5.943 -3.662 -10.280 1.00 11.54 C ATOM 398 O ALA A 27 -6.100 -3.913 -11.474 1.00 55.25 O ATOM 399 CB ALA A 27 -4.672 -1.561 -10.729 1.00 12.01 C ATOM 0 H ALA A 27 -2.895 -3.292 -10.464 1.00 73.25 H new ATOM 0 HA ALA A 27 -5.068 -2.408 -8.808 1.00 32.24 H new ATOM 0 HB1 ALA A 27 -5.625 -1.035 -10.791 1.00 12.01 H new ATOM 0 HB2 ALA A 27 -3.911 -0.887 -10.335 1.00 12.01 H new ATOM 0 HB3 ALA A 27 -4.379 -1.898 -11.723 1.00 12.01 H new ATOM 405 N LEU A 28 -6.709 -4.168 -9.326 1.00 62.33 N ATOM 406 CA LEU A 28 -7.890 -4.954 -9.631 1.00 63.32 C ATOM 407 C LEU A 28 -8.931 -4.774 -8.525 1.00 52.32 C ATOM 408 O LEU A 28 -9.147 -5.668 -7.705 1.00 50.34 O ATOM 409 CB LEU A 28 -7.524 -6.434 -9.798 1.00 24.11 C ATOM 410 CG LEU A 28 -8.668 -7.352 -10.240 1.00 63.11 C ATOM 411 CD1 LEU A 28 -9.249 -6.890 -11.569 1.00 23.11 C ATOM 412 CD2 LEU A 28 -8.185 -8.793 -10.336 1.00 12.44 C ATOM 0 H LEU A 28 -6.531 -4.046 -8.329 1.00 62.33 H new ATOM 0 HA LEU A 28 -8.315 -4.605 -10.572 1.00 63.32 H new ATOM 0 HB2 LEU A 28 -6.718 -6.511 -10.528 1.00 24.11 H new ATOM 0 HB3 LEU A 28 -7.132 -6.802 -8.850 1.00 24.11 H new ATOM 0 HG LEU A 28 -9.458 -7.302 -9.490 1.00 63.11 H new ATOM 0 HD11 LEU A 28 -10.060 -7.557 -11.863 1.00 23.11 H new ATOM 0 HD12 LEU A 28 -9.633 -5.875 -11.465 1.00 23.11 H new ATOM 0 HD13 LEU A 28 -8.471 -6.907 -12.332 1.00 23.11 H new ATOM 0 HD21 LEU A 28 -9.009 -9.433 -10.651 1.00 12.44 H new ATOM 0 HD22 LEU A 28 -7.376 -8.858 -11.064 1.00 12.44 H new ATOM 0 HD23 LEU A 28 -7.823 -9.121 -9.362 1.00 12.44 H new ATOM 424 N PRO A 29 -9.563 -3.589 -8.468 1.00 72.04 N ATOM 425 CA PRO A 29 -10.560 -3.274 -7.448 1.00 53.04 C ATOM 426 C PRO A 29 -11.874 -4.018 -7.681 1.00 0.54 C ATOM 427 O PRO A 29 -12.765 -3.540 -8.389 1.00 22.30 O ATOM 428 CB PRO A 29 -10.759 -1.752 -7.578 1.00 32.32 C ATOM 429 CG PRO A 29 -9.684 -1.284 -8.504 1.00 21.13 C ATOM 430 CD PRO A 29 -9.355 -2.458 -9.374 1.00 22.44 C ATOM 0 HA PRO A 29 -10.234 -3.578 -6.453 1.00 53.04 H new ATOM 0 HB2 PRO A 29 -11.747 -1.518 -7.975 1.00 32.32 H new ATOM 0 HB3 PRO A 29 -10.681 -1.262 -6.607 1.00 32.32 H new ATOM 0 HG2 PRO A 29 -10.023 -0.438 -9.101 1.00 21.13 H new ATOM 0 HG3 PRO A 29 -8.807 -0.951 -7.949 1.00 21.13 H new ATOM 0 HD2 PRO A 29 -10.006 -2.512 -10.247 1.00 22.44 H new ATOM 0 HD3 PRO A 29 -8.330 -2.416 -9.743 1.00 22.44 H new ATOM 438 N GLN A 30 -11.972 -5.196 -7.094 1.00 33.33 N ATOM 439 CA GLN A 30 -13.140 -6.052 -7.252 1.00 72.15 C ATOM 440 C GLN A 30 -14.088 -5.872 -6.068 1.00 34.05 C ATOM 441 O GLN A 30 -14.414 -6.822 -5.352 1.00 65.42 O ATOM 442 CB GLN A 30 -12.680 -7.506 -7.386 1.00 51.43 C ATOM 443 CG GLN A 30 -11.738 -7.953 -6.277 1.00 74.25 C ATOM 444 CD GLN A 30 -10.904 -9.157 -6.666 1.00 24.52 C ATOM 445 OE1 GLN A 30 -11.308 -10.305 -6.472 1.00 21.42 O ATOM 446 NE2 GLN A 30 -9.728 -8.901 -7.217 1.00 72.05 N ATOM 0 H GLN A 30 -11.247 -5.589 -6.494 1.00 33.33 H new ATOM 0 HA GLN A 30 -13.686 -5.775 -8.154 1.00 72.15 H new ATOM 0 HB2 GLN A 30 -13.555 -8.156 -7.392 1.00 51.43 H new ATOM 0 HB3 GLN A 30 -12.182 -7.633 -8.347 1.00 51.43 H new ATOM 0 HG2 GLN A 30 -11.076 -7.128 -6.014 1.00 74.25 H new ATOM 0 HG3 GLN A 30 -12.320 -8.192 -5.387 1.00 74.25 H new ATOM 0 HE21 GLN A 30 -9.431 -7.936 -7.360 1.00 72.05 H new ATOM 0 HE22 GLN A 30 -9.119 -9.669 -7.499 1.00 72.05 H new ATOM 455 N GLY A 31 -14.543 -4.640 -5.879 1.00 63.13 N ATOM 456 CA GLY A 31 -15.319 -4.310 -4.703 1.00 35.43 C ATOM 457 C GLY A 31 -14.413 -4.108 -3.511 1.00 52.11 C ATOM 458 O GLY A 31 -14.108 -2.971 -3.134 1.00 21.13 O ATOM 0 H GLY A 31 -14.387 -3.863 -6.521 1.00 63.13 H new ATOM 0 HA2 GLY A 31 -15.898 -3.405 -4.885 1.00 35.43 H new ATOM 0 HA3 GLY A 31 -16.032 -5.108 -4.495 1.00 35.43 H new ATOM 462 N GLN A 32 -13.958 -5.212 -2.936 1.00 44.44 N ATOM 463 CA GLN A 32 -12.961 -5.166 -1.886 1.00 42.52 C ATOM 464 C GLN A 32 -11.613 -4.815 -2.497 1.00 12.22 C ATOM 465 O GLN A 32 -11.257 -5.318 -3.563 1.00 42.34 O ATOM 466 CB GLN A 32 -12.885 -6.499 -1.142 1.00 15.24 C ATOM 467 CG GLN A 32 -14.116 -6.794 -0.301 1.00 32.24 C ATOM 468 CD GLN A 32 -14.001 -8.094 0.469 1.00 61.04 C ATOM 469 OE1 GLN A 32 -13.353 -9.040 0.022 1.00 25.40 O ATOM 470 NE2 GLN A 32 -14.615 -8.141 1.640 1.00 23.13 N ATOM 0 H GLN A 32 -14.267 -6.152 -3.183 1.00 44.44 H new ATOM 0 HA GLN A 32 -13.242 -4.403 -1.160 1.00 42.52 H new ATOM 0 HB2 GLN A 32 -12.748 -7.303 -1.865 1.00 15.24 H new ATOM 0 HB3 GLN A 32 -12.006 -6.497 -0.497 1.00 15.24 H new ATOM 0 HG2 GLN A 32 -14.277 -5.975 0.400 1.00 32.24 H new ATOM 0 HG3 GLN A 32 -14.992 -6.836 -0.949 1.00 32.24 H new ATOM 0 HE21 GLN A 32 -15.142 -7.333 1.972 1.00 23.13 H new ATOM 0 HE22 GLN A 32 -14.562 -8.985 2.210 1.00 23.13 H new ATOM 479 N LYS A 33 -10.881 -3.936 -1.838 1.00 15.03 N ATOM 480 CA LYS A 33 -9.618 -3.454 -2.367 1.00 3.11 C ATOM 481 C LYS A 33 -8.473 -3.876 -1.455 1.00 22.24 C ATOM 482 O LYS A 33 -7.739 -4.817 -1.753 1.00 74.21 O ATOM 483 CB LYS A 33 -9.672 -1.928 -2.498 1.00 23.11 C ATOM 484 CG LYS A 33 -10.870 -1.436 -3.301 1.00 54.21 C ATOM 485 CD LYS A 33 -11.101 0.056 -3.121 1.00 45.05 C ATOM 486 CE LYS A 33 -12.294 0.540 -3.937 1.00 61.32 C ATOM 487 NZ LYS A 33 -13.565 -0.123 -3.533 1.00 4.32 N ATOM 0 H LYS A 33 -11.140 -3.541 -0.934 1.00 15.03 H new ATOM 0 HA LYS A 33 -9.446 -3.888 -3.352 1.00 3.11 H new ATOM 0 HB2 LYS A 33 -9.704 -1.485 -1.502 1.00 23.11 H new ATOM 0 HB3 LYS A 33 -8.756 -1.578 -2.973 1.00 23.11 H new ATOM 0 HG2 LYS A 33 -10.713 -1.654 -4.357 1.00 54.21 H new ATOM 0 HG3 LYS A 33 -11.762 -1.981 -2.992 1.00 54.21 H new ATOM 0 HD2 LYS A 33 -11.268 0.275 -2.066 1.00 45.05 H new ATOM 0 HD3 LYS A 33 -10.207 0.602 -3.422 1.00 45.05 H new ATOM 0 HE2 LYS A 33 -12.397 1.619 -3.820 1.00 61.32 H new ATOM 0 HE3 LYS A 33 -12.109 0.350 -4.994 1.00 61.32 H new ATOM 0 HZ1 LYS A 33 -14.365 0.344 -4.005 1.00 4.32 H new ATOM 0 HZ2 LYS A 33 -13.537 -1.125 -3.809 1.00 4.32 H new ATOM 0 HZ3 LYS A 33 -13.682 -0.051 -2.502 1.00 4.32 H new ATOM 501 N VAL A 34 -8.360 -3.179 -0.331 1.00 44.31 N ATOM 502 CA VAL A 34 -7.336 -3.442 0.675 1.00 34.32 C ATOM 503 C VAL A 34 -7.422 -2.365 1.750 1.00 65.44 C ATOM 504 O VAL A 34 -7.118 -2.608 2.921 1.00 72.44 O ATOM 505 CB VAL A 34 -5.901 -3.500 0.079 1.00 75.21 C ATOM 506 CG1 VAL A 34 -5.515 -2.194 -0.601 1.00 31.50 C ATOM 507 CG2 VAL A 34 -4.885 -3.865 1.150 1.00 25.34 C ATOM 0 H VAL A 34 -8.982 -2.408 -0.089 1.00 44.31 H new ATOM 0 HA VAL A 34 -7.527 -4.427 1.101 1.00 34.32 H new ATOM 0 HB VAL A 34 -5.900 -4.279 -0.683 1.00 75.21 H new ATOM 0 HG11 VAL A 34 -4.505 -2.278 -1.003 1.00 31.50 H new ATOM 0 HG12 VAL A 34 -6.213 -1.986 -1.412 1.00 31.50 H new ATOM 0 HG13 VAL A 34 -5.550 -1.382 0.125 1.00 31.50 H new ATOM 0 HG21 VAL A 34 -3.889 -3.900 0.710 1.00 25.34 H new ATOM 0 HG22 VAL A 34 -4.906 -3.116 1.942 1.00 25.34 H new ATOM 0 HG23 VAL A 34 -5.131 -4.841 1.567 1.00 25.34 H new ATOM 517 N GLN A 35 -7.874 -1.183 1.314 1.00 30.54 N ATOM 518 CA GLN A 35 -8.137 -0.040 2.189 1.00 15.24 C ATOM 519 C GLN A 35 -6.842 0.591 2.688 1.00 5.25 C ATOM 520 O GLN A 35 -5.962 -0.086 3.221 1.00 23.12 O ATOM 521 CB GLN A 35 -9.053 -0.420 3.365 1.00 50.31 C ATOM 522 CG GLN A 35 -10.513 -0.642 2.970 1.00 70.44 C ATOM 523 CD GLN A 35 -10.730 -1.883 2.118 1.00 0.35 C ATOM 524 OE1 GLN A 35 -10.666 -1.836 0.884 1.00 72.35 O ATOM 525 NE2 GLN A 35 -10.993 -3.003 2.769 1.00 23.11 N ATOM 0 H GLN A 35 -8.069 -0.994 0.331 1.00 30.54 H new ATOM 0 HA GLN A 35 -8.663 0.704 1.591 1.00 15.24 H new ATOM 0 HB2 GLN A 35 -8.671 -1.329 3.831 1.00 50.31 H new ATOM 0 HB3 GLN A 35 -9.007 0.367 4.117 1.00 50.31 H new ATOM 0 HG2 GLN A 35 -11.117 -0.721 3.874 1.00 70.44 H new ATOM 0 HG3 GLN A 35 -10.870 0.231 2.423 1.00 70.44 H new ATOM 0 HE21 GLN A 35 -11.038 -3.002 3.788 1.00 23.11 H new ATOM 0 HE22 GLN A 35 -11.151 -3.868 2.252 1.00 23.11 H new ATOM 534 N VAL A 36 -6.733 1.898 2.504 1.00 14.03 N ATOM 535 CA VAL A 36 -5.533 2.629 2.875 1.00 54.11 C ATOM 536 C VAL A 36 -5.564 2.971 4.357 1.00 35.04 C ATOM 537 O VAL A 36 -6.344 3.820 4.796 1.00 71.45 O ATOM 538 CB VAL A 36 -5.377 3.923 2.048 1.00 24.44 C ATOM 539 CG1 VAL A 36 -4.096 4.650 2.418 1.00 75.22 C ATOM 540 CG2 VAL A 36 -5.404 3.617 0.558 1.00 4.23 C ATOM 0 H VAL A 36 -7.468 2.477 2.097 1.00 14.03 H new ATOM 0 HA VAL A 36 -4.678 1.986 2.665 1.00 54.11 H new ATOM 0 HB VAL A 36 -6.219 4.575 2.280 1.00 24.44 H new ATOM 0 HG11 VAL A 36 -4.008 5.559 1.822 1.00 75.22 H new ATOM 0 HG12 VAL A 36 -4.118 4.911 3.476 1.00 75.22 H new ATOM 0 HG13 VAL A 36 -3.241 4.003 2.222 1.00 75.22 H new ATOM 0 HG21 VAL A 36 -5.293 4.543 -0.006 1.00 4.23 H new ATOM 0 HG22 VAL A 36 -4.586 2.941 0.311 1.00 4.23 H new ATOM 0 HG23 VAL A 36 -6.353 3.147 0.300 1.00 4.23 H new ATOM 550 N ILE A 37 -4.723 2.294 5.123 1.00 73.51 N ATOM 551 CA ILE A 37 -4.699 2.467 6.566 1.00 12.31 C ATOM 552 C ILE A 37 -4.025 3.779 6.957 1.00 12.34 C ATOM 553 O ILE A 37 -4.555 4.542 7.762 1.00 75.11 O ATOM 554 CB ILE A 37 -3.980 1.292 7.261 1.00 43.03 C ATOM 555 CG1 ILE A 37 -4.596 -0.038 6.832 1.00 55.11 C ATOM 556 CG2 ILE A 37 -4.064 1.436 8.772 1.00 64.23 C ATOM 557 CD1 ILE A 37 -3.575 -1.113 6.542 1.00 12.01 C ATOM 0 H ILE A 37 -4.047 1.618 4.768 1.00 73.51 H new ATOM 0 HA ILE A 37 -5.737 2.491 6.899 1.00 12.31 H new ATOM 0 HB ILE A 37 -2.932 1.309 6.963 1.00 43.03 H new ATOM 0 HG12 ILE A 37 -5.267 -0.388 7.617 1.00 55.11 H new ATOM 0 HG13 ILE A 37 -5.204 0.123 5.942 1.00 55.11 H new ATOM 0 HG21 ILE A 37 -3.552 0.599 9.246 1.00 64.23 H new ATOM 0 HG22 ILE A 37 -3.591 2.370 9.075 1.00 64.23 H new ATOM 0 HG23 ILE A 37 -5.110 1.443 9.079 1.00 64.23 H new ATOM 0 HD11 ILE A 37 -4.085 -2.029 6.243 1.00 12.01 H new ATOM 0 HD12 ILE A 37 -2.919 -0.784 5.736 1.00 12.01 H new ATOM 0 HD13 ILE A 37 -2.983 -1.303 7.437 1.00 12.01 H new ATOM 569 N SER A 38 -2.844 4.033 6.404 1.00 33.24 N ATOM 570 CA SER A 38 -2.122 5.263 6.699 1.00 60.22 C ATOM 571 C SER A 38 -1.207 5.646 5.546 1.00 72.03 C ATOM 572 O SER A 38 -0.719 4.786 4.808 1.00 51.54 O ATOM 573 CB SER A 38 -1.303 5.107 7.982 1.00 25.03 C ATOM 574 OG SER A 38 -2.123 4.704 9.072 1.00 64.22 O ATOM 0 H SER A 38 -2.369 3.407 5.753 1.00 33.24 H new ATOM 0 HA SER A 38 -2.855 6.057 6.839 1.00 60.22 H new ATOM 0 HB2 SER A 38 -0.515 4.371 7.826 1.00 25.03 H new ATOM 0 HB3 SER A 38 -0.814 6.051 8.221 1.00 25.03 H new ATOM 0 HG SER A 38 -1.573 4.611 9.878 1.00 64.22 H new ATOM 580 N GLU A 39 -0.980 6.943 5.406 1.00 40.52 N ATOM 581 CA GLU A 39 -0.114 7.466 4.367 1.00 62.01 C ATOM 582 C GLU A 39 1.070 8.178 5.011 1.00 62.21 C ATOM 583 O GLU A 39 0.885 9.100 5.810 1.00 64.44 O ATOM 584 CB GLU A 39 -0.865 8.450 3.461 1.00 3.33 C ATOM 585 CG GLU A 39 -2.225 7.968 2.978 1.00 43.04 C ATOM 586 CD GLU A 39 -3.349 8.289 3.945 1.00 22.01 C ATOM 587 OE1 GLU A 39 -3.734 9.475 4.039 1.00 30.30 O ATOM 588 OE2 GLU A 39 -3.866 7.364 4.603 1.00 1.23 O ATOM 0 H GLU A 39 -1.390 7.658 6.007 1.00 40.52 H new ATOM 0 HA GLU A 39 0.232 6.632 3.756 1.00 62.01 H new ATOM 0 HB2 GLU A 39 -0.999 9.388 4.000 1.00 3.33 H new ATOM 0 HB3 GLU A 39 -0.244 8.668 2.592 1.00 3.33 H new ATOM 0 HG2 GLU A 39 -2.443 8.424 2.012 1.00 43.04 H new ATOM 0 HG3 GLU A 39 -2.187 6.890 2.820 1.00 43.04 H new ATOM 595 N ASN A 40 2.277 7.763 4.667 1.00 44.54 N ATOM 596 CA ASN A 40 3.473 8.329 5.276 1.00 4.43 C ATOM 597 C ASN A 40 4.613 8.371 4.272 1.00 4.11 C ATOM 598 O ASN A 40 4.759 7.453 3.466 1.00 1.31 O ATOM 599 CB ASN A 40 3.882 7.496 6.496 1.00 73.34 C ATOM 600 CG ASN A 40 5.074 8.075 7.238 1.00 3.01 C ATOM 601 OD1 ASN A 40 6.224 7.758 6.936 1.00 24.14 O ATOM 602 ND2 ASN A 40 4.811 8.922 8.221 1.00 61.00 N ATOM 0 H ASN A 40 2.457 7.039 3.972 1.00 44.54 H new ATOM 0 HA ASN A 40 3.252 9.348 5.595 1.00 4.43 H new ATOM 0 HB2 ASN A 40 3.036 7.423 7.179 1.00 73.34 H new ATOM 0 HB3 ASN A 40 4.119 6.482 6.174 1.00 73.34 H new ATOM 0 HD21 ASN A 40 5.575 9.335 8.756 1.00 61.00 H new ATOM 0 HD22 ASN A 40 3.845 9.161 8.443 1.00 61.00 H new ATOM 609 N SER A 41 5.388 9.456 4.311 1.00 25.44 N ATOM 610 CA SER A 41 6.593 9.610 3.492 1.00 62.22 C ATOM 611 C SER A 41 6.248 9.916 2.029 1.00 74.31 C ATOM 612 O SER A 41 6.708 10.915 1.467 1.00 72.04 O ATOM 613 CB SER A 41 7.479 8.356 3.604 1.00 30.34 C ATOM 614 OG SER A 41 8.684 8.500 2.873 1.00 12.10 O ATOM 0 H SER A 41 5.197 10.256 4.914 1.00 25.44 H new ATOM 0 HA SER A 41 7.153 10.464 3.874 1.00 62.22 H new ATOM 0 HB2 SER A 41 7.710 8.166 4.652 1.00 30.34 H new ATOM 0 HB3 SER A 41 6.931 7.489 3.235 1.00 30.34 H new ATOM 0 HG SER A 41 9.223 7.687 2.967 1.00 12.10 H new ATOM 620 N GLY A 42 5.433 9.074 1.421 1.00 53.43 N ATOM 621 CA GLY A 42 5.045 9.275 0.041 1.00 62.42 C ATOM 622 C GLY A 42 4.038 8.243 -0.407 1.00 53.24 C ATOM 623 O GLY A 42 2.976 8.579 -0.936 1.00 3.20 O ATOM 0 H GLY A 42 5.029 8.247 1.861 1.00 53.43 H new ATOM 0 HA2 GLY A 42 4.622 10.273 -0.077 1.00 62.42 H new ATOM 0 HA3 GLY A 42 5.927 9.225 -0.597 1.00 62.42 H new ATOM 627 N TRP A 43 4.373 6.983 -0.186 1.00 31.51 N ATOM 628 CA TRP A 43 3.471 5.885 -0.491 1.00 51.33 C ATOM 629 C TRP A 43 2.550 5.602 0.688 1.00 12.22 C ATOM 630 O TRP A 43 2.830 5.993 1.822 1.00 73.55 O ATOM 631 CB TRP A 43 4.247 4.616 -0.843 1.00 74.45 C ATOM 632 CG TRP A 43 4.791 4.588 -2.240 1.00 1.40 C ATOM 633 CD1 TRP A 43 4.472 5.417 -3.278 1.00 30.21 C ATOM 634 CD2 TRP A 43 5.745 3.657 -2.750 1.00 32.24 C ATOM 635 NE1 TRP A 43 5.179 5.057 -4.404 1.00 52.34 N ATOM 636 CE2 TRP A 43 5.971 3.977 -4.100 1.00 40.21 C ATOM 637 CE3 TRP A 43 6.432 2.583 -2.183 1.00 61.42 C ATOM 638 CZ2 TRP A 43 6.859 3.253 -4.895 1.00 1.15 C ATOM 639 CZ3 TRP A 43 7.312 1.867 -2.970 1.00 71.21 C ATOM 640 CH2 TRP A 43 7.521 2.207 -4.313 1.00 51.55 C ATOM 0 H TRP A 43 5.269 6.694 0.206 1.00 31.51 H new ATOM 0 HA TRP A 43 2.873 6.183 -1.352 1.00 51.33 H new ATOM 0 HB2 TRP A 43 5.074 4.505 -0.142 1.00 74.45 H new ATOM 0 HB3 TRP A 43 3.593 3.755 -0.704 1.00 74.45 H new ATOM 0 HD1 TRP A 43 3.769 6.235 -3.224 1.00 30.21 H new ATOM 0 HE1 TRP A 43 5.124 5.516 -5.313 1.00 52.34 H new ATOM 0 HE3 TRP A 43 6.278 2.317 -1.148 1.00 61.42 H new ATOM 0 HZ2 TRP A 43 7.018 3.509 -5.932 1.00 1.15 H new ATOM 0 HZ3 TRP A 43 7.848 1.032 -2.544 1.00 71.21 H new ATOM 0 HH2 TRP A 43 8.220 1.631 -4.901 1.00 51.55 H new ATOM 651 N SER A 44 1.448 4.933 0.404 1.00 22.21 N ATOM 652 CA SER A 44 0.511 4.525 1.432 1.00 42.51 C ATOM 653 C SER A 44 0.877 3.129 1.924 1.00 72.31 C ATOM 654 O SER A 44 1.269 2.269 1.130 1.00 74.23 O ATOM 655 CB SER A 44 -0.918 4.536 0.882 1.00 21.53 C ATOM 656 OG SER A 44 -1.268 5.817 0.383 1.00 34.24 O ATOM 0 H SER A 44 1.179 4.659 -0.541 1.00 22.21 H new ATOM 0 HA SER A 44 0.563 5.226 2.265 1.00 42.51 H new ATOM 0 HB2 SER A 44 -1.010 3.796 0.087 1.00 21.53 H new ATOM 0 HB3 SER A 44 -1.615 4.247 1.669 1.00 21.53 H new ATOM 0 HG SER A 44 -0.462 6.276 0.066 1.00 34.24 H new ATOM 662 N LYS A 45 0.757 2.907 3.223 1.00 73.32 N ATOM 663 CA LYS A 45 1.122 1.642 3.808 1.00 31.25 C ATOM 664 C LYS A 45 -0.130 0.855 4.165 1.00 44.13 C ATOM 665 O LYS A 45 -1.042 1.374 4.817 1.00 30.52 O ATOM 666 CB LYS A 45 1.999 1.887 5.034 1.00 62.51 C ATOM 667 CG LYS A 45 2.448 0.625 5.745 1.00 52.00 C ATOM 668 CD LYS A 45 1.452 0.197 6.805 1.00 34.24 C ATOM 669 CE LYS A 45 1.293 1.271 7.863 1.00 32.12 C ATOM 670 NZ LYS A 45 0.641 0.756 9.096 1.00 21.22 N ATOM 0 H LYS A 45 0.407 3.595 3.889 1.00 73.32 H new ATOM 0 HA LYS A 45 1.692 1.051 3.091 1.00 31.25 H new ATOM 0 HB2 LYS A 45 2.881 2.451 4.728 1.00 62.51 H new ATOM 0 HB3 LYS A 45 1.450 2.511 5.739 1.00 62.51 H new ATOM 0 HG2 LYS A 45 2.574 -0.177 5.018 1.00 52.00 H new ATOM 0 HG3 LYS A 45 3.421 0.793 6.206 1.00 52.00 H new ATOM 0 HD2 LYS A 45 0.487 -0.008 6.341 1.00 34.24 H new ATOM 0 HD3 LYS A 45 1.786 -0.731 7.270 1.00 34.24 H new ATOM 0 HE2 LYS A 45 2.272 1.677 8.115 1.00 32.12 H new ATOM 0 HE3 LYS A 45 0.702 2.092 7.458 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 0.554 1.526 9.790 1.00 21.22 H new ATOM 0 HZ2 LYS A 45 -0.305 0.392 8.862 1.00 21.22 H new ATOM 0 HZ3 LYS A 45 1.217 -0.010 9.499 1.00 21.22 H new ATOM 684 N ILE A 46 -0.163 -0.394 3.734 1.00 32.51 N ATOM 685 CA ILE A 46 -1.313 -1.259 3.948 1.00 72.34 C ATOM 686 C ILE A 46 -0.858 -2.683 4.226 1.00 74.24 C ATOM 687 O ILE A 46 0.322 -3.008 4.085 1.00 32.43 O ATOM 688 CB ILE A 46 -2.298 -1.286 2.743 1.00 10.53 C ATOM 689 CG1 ILE A 46 -1.662 -1.921 1.492 1.00 74.33 C ATOM 690 CG2 ILE A 46 -2.814 0.110 2.430 1.00 11.41 C ATOM 691 CD1 ILE A 46 -0.645 -1.047 0.782 1.00 11.32 C ATOM 0 H ILE A 46 0.603 -0.837 3.227 1.00 32.51 H new ATOM 0 HA ILE A 46 -1.843 -0.842 4.804 1.00 72.34 H new ATOM 0 HB ILE A 46 -3.142 -1.911 3.034 1.00 10.53 H new ATOM 0 HG12 ILE A 46 -1.179 -2.854 1.781 1.00 74.33 H new ATOM 0 HG13 ILE A 46 -2.455 -2.177 0.789 1.00 74.33 H new ATOM 0 HG21 ILE A 46 -3.500 0.063 1.584 1.00 11.41 H new ATOM 0 HG22 ILE A 46 -3.337 0.508 3.300 1.00 11.41 H new ATOM 0 HG23 ILE A 46 -1.976 0.761 2.181 1.00 11.41 H new ATOM 0 HD11 ILE A 46 -0.252 -1.577 -0.085 1.00 11.32 H new ATOM 0 HD12 ILE A 46 -1.123 -0.123 0.456 1.00 11.32 H new ATOM 0 HD13 ILE A 46 0.172 -0.812 1.464 1.00 11.32 H new ATOM 703 N ASN A 47 -1.793 -3.528 4.621 1.00 54.35 N ATOM 704 CA ASN A 47 -1.505 -4.938 4.833 1.00 55.31 C ATOM 705 C ASN A 47 -2.160 -5.755 3.730 1.00 31.33 C ATOM 706 O ASN A 47 -3.386 -5.783 3.615 1.00 14.21 O ATOM 707 CB ASN A 47 -2.009 -5.395 6.206 1.00 71.41 C ATOM 708 CG ASN A 47 -1.671 -6.846 6.496 1.00 73.32 C ATOM 709 OD1 ASN A 47 -2.425 -7.753 6.152 1.00 71.30 O ATOM 710 ND2 ASN A 47 -0.541 -7.077 7.150 1.00 74.41 N ATOM 0 H ASN A 47 -2.761 -3.263 4.802 1.00 54.35 H new ATOM 0 HA ASN A 47 -0.426 -5.089 4.805 1.00 55.31 H new ATOM 0 HB2 ASN A 47 -1.572 -4.762 6.979 1.00 71.41 H new ATOM 0 HB3 ASN A 47 -3.089 -5.260 6.256 1.00 71.41 H new ATOM 0 HD21 ASN A 47 -0.273 -8.033 7.383 1.00 74.41 H new ATOM 0 HD22 ASN A 47 0.060 -6.299 7.420 1.00 74.41 H new ATOM 717 N TYR A 48 -1.346 -6.401 2.913 1.00 34.45 N ATOM 718 CA TYR A 48 -1.855 -7.130 1.766 1.00 63.20 C ATOM 719 C TYR A 48 -1.625 -8.621 1.949 1.00 21.11 C ATOM 720 O TYR A 48 -0.507 -9.108 1.777 1.00 10.54 O ATOM 721 CB TYR A 48 -1.177 -6.646 0.481 1.00 15.41 C ATOM 722 CG TYR A 48 -2.033 -6.810 -0.761 1.00 12.14 C ATOM 723 CD1 TYR A 48 -3.083 -5.940 -1.022 1.00 54.04 C ATOM 724 CD2 TYR A 48 -1.803 -7.840 -1.662 1.00 72.24 C ATOM 725 CE1 TYR A 48 -3.878 -6.090 -2.139 1.00 62.11 C ATOM 726 CE2 TYR A 48 -2.592 -7.992 -2.788 1.00 21.01 C ATOM 727 CZ TYR A 48 -3.632 -7.118 -3.018 1.00 44.01 C ATOM 728 OH TYR A 48 -4.430 -7.275 -4.131 1.00 21.31 O ATOM 0 H TYR A 48 -0.332 -6.435 3.023 1.00 34.45 H new ATOM 0 HA TYR A 48 -2.926 -6.945 1.685 1.00 63.20 H new ATOM 0 HB2 TYR A 48 -0.914 -5.594 0.594 1.00 15.41 H new ATOM 0 HB3 TYR A 48 -0.245 -7.195 0.344 1.00 15.41 H new ATOM 0 HD1 TYR A 48 -3.281 -5.129 -0.336 1.00 54.04 H new ATOM 0 HD2 TYR A 48 -0.995 -8.534 -1.481 1.00 72.24 H new ATOM 0 HE1 TYR A 48 -4.691 -5.403 -2.322 1.00 62.11 H new ATOM 0 HE2 TYR A 48 -2.393 -8.793 -3.485 1.00 21.01 H new ATOM 0 HH TYR A 48 -4.121 -8.048 -4.649 1.00 21.31 H new ATOM 738 N ASN A 49 -2.680 -9.328 2.337 1.00 53.54 N ATOM 739 CA ASN A 49 -2.632 -10.779 2.516 1.00 45.44 C ATOM 740 C ASN A 49 -1.646 -11.146 3.629 1.00 33.33 C ATOM 741 O ASN A 49 -0.865 -12.090 3.511 1.00 23.43 O ATOM 742 CB ASN A 49 -2.254 -11.475 1.197 1.00 14.35 C ATOM 743 CG ASN A 49 -2.708 -12.927 1.144 1.00 52.31 C ATOM 744 OD1 ASN A 49 -3.835 -13.219 0.741 1.00 23.22 O ATOM 745 ND2 ASN A 49 -1.839 -13.848 1.537 1.00 20.21 N ATOM 0 H ASN A 49 -3.591 -8.916 2.537 1.00 53.54 H new ATOM 0 HA ASN A 49 -3.623 -11.126 2.809 1.00 45.44 H new ATOM 0 HB2 ASN A 49 -2.698 -10.930 0.364 1.00 14.35 H new ATOM 0 HB3 ASN A 49 -1.173 -11.432 1.066 1.00 14.35 H new ATOM 0 HD21 ASN A 49 -2.095 -14.835 1.511 1.00 20.21 H new ATOM 0 HD22 ASN A 49 -0.914 -13.570 1.865 1.00 20.21 H new ATOM 752 N GLY A 50 -1.684 -10.372 4.705 1.00 51.15 N ATOM 753 CA GLY A 50 -0.884 -10.678 5.878 1.00 0.11 C ATOM 754 C GLY A 50 0.463 -9.976 5.897 1.00 15.24 C ATOM 755 O GLY A 50 1.081 -9.846 6.957 1.00 53.31 O ATOM 0 H GLY A 50 -2.258 -9.533 4.788 1.00 51.15 H new ATOM 0 HA2 GLY A 50 -1.443 -10.398 6.771 1.00 0.11 H new ATOM 0 HA3 GLY A 50 -0.723 -11.755 5.927 1.00 0.11 H new ATOM 759 N GLN A 51 0.916 -9.496 4.749 1.00 52.14 N ATOM 760 CA GLN A 51 2.227 -8.862 4.670 1.00 74.35 C ATOM 761 C GLN A 51 2.114 -7.366 4.397 1.00 10.23 C ATOM 762 O GLN A 51 1.201 -6.913 3.707 1.00 30.43 O ATOM 763 CB GLN A 51 3.097 -9.552 3.615 1.00 31.43 C ATOM 764 CG GLN A 51 2.468 -9.629 2.235 1.00 42.44 C ATOM 765 CD GLN A 51 3.165 -10.630 1.336 1.00 35.13 C ATOM 766 OE1 GLN A 51 4.116 -10.297 0.628 1.00 34.54 O ATOM 767 NE2 GLN A 51 2.702 -11.871 1.367 1.00 15.30 N ATOM 0 H GLN A 51 0.404 -9.531 3.868 1.00 52.14 H new ATOM 0 HA GLN A 51 2.710 -8.976 5.640 1.00 74.35 H new ATOM 0 HB2 GLN A 51 4.045 -9.020 3.539 1.00 31.43 H new ATOM 0 HB3 GLN A 51 3.325 -10.563 3.954 1.00 31.43 H new ATOM 0 HG2 GLN A 51 1.417 -9.903 2.333 1.00 42.44 H new ATOM 0 HG3 GLN A 51 2.499 -8.644 1.769 1.00 42.44 H new ATOM 0 HE21 GLN A 51 1.912 -12.106 1.968 1.00 15.30 H new ATOM 0 HE22 GLN A 51 3.136 -12.592 0.790 1.00 15.30 H new ATOM 776 N THR A 52 3.038 -6.602 4.965 1.00 33.34 N ATOM 777 CA THR A 52 3.030 -5.155 4.822 1.00 31.15 C ATOM 778 C THR A 52 3.447 -4.742 3.412 1.00 2.04 C ATOM 779 O THR A 52 4.533 -5.095 2.942 1.00 34.41 O ATOM 780 CB THR A 52 3.972 -4.488 5.844 1.00 74.22 C ATOM 781 OG1 THR A 52 3.698 -4.976 7.166 1.00 4.45 O ATOM 782 CG2 THR A 52 3.813 -2.974 5.822 1.00 63.51 C ATOM 0 H THR A 52 3.805 -6.964 5.531 1.00 33.34 H new ATOM 0 HA THR A 52 2.010 -4.820 5.008 1.00 31.15 H new ATOM 0 HB THR A 52 4.996 -4.739 5.569 1.00 74.22 H new ATOM 0 HG1 THR A 52 4.304 -4.546 7.805 1.00 4.45 H new ATOM 0 HG21 THR A 52 4.488 -2.527 6.552 1.00 63.51 H new ATOM 0 HG22 THR A 52 4.052 -2.597 4.828 1.00 63.51 H new ATOM 0 HG23 THR A 52 2.785 -2.713 6.071 1.00 63.51 H new ATOM 790 N GLY A 53 2.583 -3.993 2.748 1.00 72.33 N ATOM 791 CA GLY A 53 2.876 -3.537 1.410 1.00 34.14 C ATOM 792 C GLY A 53 2.735 -2.038 1.286 1.00 72.03 C ATOM 793 O GLY A 53 2.213 -1.380 2.189 1.00 71.30 O ATOM 0 H GLY A 53 1.680 -3.692 3.115 1.00 72.33 H new ATOM 0 HA2 GLY A 53 3.890 -3.830 1.140 1.00 34.14 H new ATOM 0 HA3 GLY A 53 2.204 -4.025 0.704 1.00 34.14 H new ATOM 797 N TYR A 54 3.204 -1.498 0.174 1.00 11.15 N ATOM 798 CA TYR A 54 3.099 -0.072 -0.084 1.00 50.43 C ATOM 799 C TYR A 54 2.506 0.175 -1.456 1.00 63.22 C ATOM 800 O TYR A 54 2.758 -0.577 -2.396 1.00 54.13 O ATOM 801 CB TYR A 54 4.466 0.612 0.018 1.00 25.44 C ATOM 802 CG TYR A 54 4.979 0.755 1.431 1.00 3.21 C ATOM 803 CD1 TYR A 54 5.742 -0.244 2.024 1.00 2.35 C ATOM 804 CD2 TYR A 54 4.701 1.895 2.171 1.00 22.35 C ATOM 805 CE1 TYR A 54 6.210 -0.110 3.316 1.00 71.02 C ATOM 806 CE2 TYR A 54 5.166 2.038 3.463 1.00 4.54 C ATOM 807 CZ TYR A 54 5.919 1.034 4.032 1.00 61.13 C ATOM 808 OH TYR A 54 6.383 1.174 5.319 1.00 73.33 O ATOM 0 H TYR A 54 3.663 -2.028 -0.567 1.00 11.15 H new ATOM 0 HA TYR A 54 2.442 0.354 0.674 1.00 50.43 H new ATOM 0 HB2 TYR A 54 5.190 0.042 -0.564 1.00 25.44 H new ATOM 0 HB3 TYR A 54 4.400 1.601 -0.435 1.00 25.44 H new ATOM 0 HD1 TYR A 54 5.972 -1.139 1.465 1.00 2.35 H new ATOM 0 HD2 TYR A 54 4.111 2.684 1.729 1.00 22.35 H new ATOM 0 HE1 TYR A 54 6.800 -0.896 3.764 1.00 71.02 H new ATOM 0 HE2 TYR A 54 4.941 2.932 4.025 1.00 4.54 H new ATOM 0 HH TYR A 54 6.090 2.037 5.680 1.00 73.33 H new ATOM 818 N ILE A 55 1.714 1.224 -1.557 1.00 34.02 N ATOM 819 CA ILE A 55 1.089 1.610 -2.812 1.00 54.21 C ATOM 820 C ILE A 55 1.160 3.121 -2.976 1.00 4.40 C ATOM 821 O ILE A 55 1.286 3.844 -1.995 1.00 44.13 O ATOM 822 CB ILE A 55 -0.383 1.138 -2.893 1.00 11.01 C ATOM 823 CG1 ILE A 55 -1.130 1.485 -1.607 1.00 13.01 C ATOM 824 CG2 ILE A 55 -0.459 -0.357 -3.171 1.00 21.41 C ATOM 825 CD1 ILE A 55 -2.404 2.258 -1.839 1.00 45.24 C ATOM 0 H ILE A 55 1.484 1.834 -0.773 1.00 34.02 H new ATOM 0 HA ILE A 55 1.635 1.124 -3.621 1.00 54.21 H new ATOM 0 HB ILE A 55 -0.862 1.661 -3.721 1.00 11.01 H new ATOM 0 HG12 ILE A 55 -1.366 0.564 -1.074 1.00 13.01 H new ATOM 0 HG13 ILE A 55 -0.473 2.068 -0.961 1.00 13.01 H new ATOM 0 HG21 ILE A 55 -1.503 -0.665 -3.223 1.00 21.41 H new ATOM 0 HG22 ILE A 55 0.032 -0.576 -4.119 1.00 21.41 H new ATOM 0 HG23 ILE A 55 0.040 -0.902 -2.370 1.00 21.41 H new ATOM 0 HD11 ILE A 55 -2.881 2.469 -0.882 1.00 45.24 H new ATOM 0 HD12 ILE A 55 -2.174 3.196 -2.345 1.00 45.24 H new ATOM 0 HD13 ILE A 55 -3.080 1.668 -2.459 1.00 45.24 H new ATOM 837 N GLY A 56 1.095 3.595 -4.209 1.00 73.43 N ATOM 838 CA GLY A 56 1.239 5.015 -4.463 1.00 62.40 C ATOM 839 C GLY A 56 0.028 5.798 -4.018 1.00 13.44 C ATOM 840 O GLY A 56 -1.089 5.461 -4.371 1.00 70.41 O ATOM 0 H GLY A 56 0.945 3.023 -5.040 1.00 73.43 H new ATOM 0 HA2 GLY A 56 2.122 5.388 -3.944 1.00 62.40 H new ATOM 0 HA3 GLY A 56 1.403 5.177 -5.528 1.00 62.40 H new ATOM 844 N THR A 57 0.242 6.847 -3.245 1.00 22.22 N ATOM 845 CA THR A 57 -0.861 7.658 -2.755 1.00 13.11 C ATOM 846 C THR A 57 -1.375 8.583 -3.859 1.00 71.21 C ATOM 847 O THR A 57 -2.449 9.174 -3.750 1.00 42.33 O ATOM 848 CB THR A 57 -0.418 8.491 -1.534 1.00 25.02 C ATOM 849 OG1 THR A 57 0.414 7.692 -0.678 1.00 33.50 O ATOM 850 CG2 THR A 57 -1.619 8.991 -0.746 1.00 22.21 C ATOM 0 H THR A 57 1.165 7.158 -2.943 1.00 22.22 H new ATOM 0 HA THR A 57 -1.667 6.991 -2.451 1.00 13.11 H new ATOM 0 HB THR A 57 0.141 9.353 -1.897 1.00 25.02 H new ATOM 0 HG1 THR A 57 1.309 8.088 -0.630 1.00 33.50 H new ATOM 0 HG21 THR A 57 -1.276 9.575 0.108 1.00 22.21 H new ATOM 0 HG22 THR A 57 -2.240 9.617 -1.387 1.00 22.21 H new ATOM 0 HG23 THR A 57 -2.203 8.141 -0.394 1.00 22.21 H new ATOM 858 N ARG A 58 -0.602 8.709 -4.930 1.00 74.50 N ATOM 859 CA ARG A 58 -0.992 9.548 -6.039 1.00 72.51 C ATOM 860 C ARG A 58 -1.890 8.792 -7.017 1.00 63.04 C ATOM 861 O ARG A 58 -2.566 9.401 -7.844 1.00 75.43 O ATOM 862 CB ARG A 58 0.249 10.109 -6.728 1.00 45.12 C ATOM 863 CG ARG A 58 1.189 9.071 -7.314 1.00 41.21 C ATOM 864 CD ARG A 58 2.452 9.743 -7.833 1.00 45.31 C ATOM 865 NE ARG A 58 3.242 8.879 -8.706 1.00 21.42 N ATOM 866 CZ ARG A 58 3.484 9.151 -9.990 1.00 20.35 C ATOM 867 NH1 ARG A 58 3.005 10.260 -10.542 1.00 3.42 N ATOM 868 NH2 ARG A 58 4.222 8.325 -10.712 1.00 75.15 N ATOM 0 H ARG A 58 0.296 8.239 -5.048 1.00 74.50 H new ATOM 0 HA ARG A 58 -1.577 10.384 -5.657 1.00 72.51 H new ATOM 0 HB2 ARG A 58 -0.070 10.779 -7.527 1.00 45.12 H new ATOM 0 HB3 ARG A 58 0.803 10.712 -6.009 1.00 45.12 H new ATOM 0 HG2 ARG A 58 1.446 8.332 -6.555 1.00 41.21 H new ATOM 0 HG3 ARG A 58 0.693 8.536 -8.124 1.00 41.21 H new ATOM 0 HD2 ARG A 58 2.178 10.647 -8.377 1.00 45.31 H new ATOM 0 HD3 ARG A 58 3.065 10.054 -6.987 1.00 45.31 H new ATOM 0 HE ARG A 58 3.630 8.021 -8.313 1.00 21.42 H new ATOM 0 HH11 ARG A 58 2.449 10.908 -9.984 1.00 3.42 H new ATOM 0 HH12 ARG A 58 3.193 10.463 -11.524 1.00 3.42 H new ATOM 0 HH21 ARG A 58 4.606 7.481 -10.288 1.00 75.15 H new ATOM 0 HH22 ARG A 58 4.407 8.532 -11.693 1.00 75.15 H new ATOM 882 N TYR A 59 -1.894 7.464 -6.921 1.00 0.31 N ATOM 883 CA TYR A 59 -2.839 6.645 -7.655 1.00 2.24 C ATOM 884 C TYR A 59 -3.552 5.715 -6.687 1.00 51.53 C ATOM 885 O TYR A 59 -2.938 4.835 -6.099 1.00 41.12 O ATOM 886 CB TYR A 59 -2.120 5.816 -8.715 1.00 73.35 C ATOM 887 CG TYR A 59 -1.792 6.565 -9.988 1.00 14.55 C ATOM 888 CD1 TYR A 59 -0.754 7.480 -10.024 1.00 51.01 C ATOM 889 CD2 TYR A 59 -2.510 6.343 -11.158 1.00 1.31 C ATOM 890 CE1 TYR A 59 -0.439 8.161 -11.186 1.00 74.00 C ATOM 891 CE2 TYR A 59 -2.198 7.016 -12.325 1.00 11.42 C ATOM 892 CZ TYR A 59 -1.162 7.922 -12.333 1.00 73.23 C ATOM 893 OH TYR A 59 -0.845 8.590 -13.495 1.00 32.14 O ATOM 0 H TYR A 59 -1.246 6.935 -6.336 1.00 0.31 H new ATOM 0 HA TYR A 59 -3.560 7.296 -8.149 1.00 2.24 H new ATOM 0 HB2 TYR A 59 -1.195 5.429 -8.288 1.00 73.35 H new ATOM 0 HB3 TYR A 59 -2.740 4.955 -8.965 1.00 73.35 H new ATOM 0 HD1 TYR A 59 -0.180 7.666 -9.128 1.00 51.01 H new ATOM 0 HD2 TYR A 59 -3.324 5.634 -11.155 1.00 1.31 H new ATOM 0 HE1 TYR A 59 0.370 8.877 -11.193 1.00 74.00 H new ATOM 0 HE2 TYR A 59 -2.765 6.832 -13.226 1.00 11.42 H new ATOM 0 HH TYR A 59 -1.450 8.306 -14.211 1.00 32.14 H new ATOM 903 N LEU A 60 -4.851 5.887 -6.562 1.00 60.40 N ATOM 904 CA LEU A 60 -5.626 5.142 -5.579 1.00 40.35 C ATOM 905 C LEU A 60 -6.975 4.734 -6.149 1.00 75.02 C ATOM 906 O LEU A 60 -7.340 5.113 -7.265 1.00 62.12 O ATOM 907 CB LEU A 60 -5.844 5.981 -4.311 1.00 2.41 C ATOM 908 CG LEU A 60 -4.589 6.315 -3.508 1.00 72.10 C ATOM 909 CD1 LEU A 60 -4.920 7.287 -2.388 1.00 33.04 C ATOM 910 CD2 LEU A 60 -3.971 5.053 -2.938 1.00 51.15 C ATOM 0 H LEU A 60 -5.398 6.536 -7.128 1.00 60.40 H new ATOM 0 HA LEU A 60 -5.061 4.245 -5.324 1.00 40.35 H new ATOM 0 HB2 LEU A 60 -6.329 6.915 -4.596 1.00 2.41 H new ATOM 0 HB3 LEU A 60 -6.537 5.447 -3.660 1.00 2.41 H new ATOM 0 HG LEU A 60 -3.868 6.784 -4.178 1.00 72.10 H new ATOM 0 HD11 LEU A 60 -4.015 7.515 -1.825 1.00 33.04 H new ATOM 0 HD12 LEU A 60 -5.325 8.206 -2.812 1.00 33.04 H new ATOM 0 HD13 LEU A 60 -5.658 6.838 -1.723 1.00 33.04 H new ATOM 0 HD21 LEU A 60 -3.078 5.310 -2.369 1.00 51.15 H new ATOM 0 HD22 LEU A 60 -4.689 4.560 -2.283 1.00 51.15 H new ATOM 0 HD23 LEU A 60 -3.701 4.380 -3.752 1.00 51.15 H new ATOM 922 N SER A 61 -7.705 3.945 -5.383 1.00 23.23 N ATOM 923 CA SER A 61 -9.045 3.548 -5.754 1.00 21.52 C ATOM 924 C SER A 61 -10.045 4.245 -4.839 1.00 50.53 C ATOM 925 O SER A 61 -9.921 4.193 -3.614 1.00 73.34 O ATOM 926 CB SER A 61 -9.192 2.027 -5.667 1.00 70.43 C ATOM 927 OG SER A 61 -10.392 1.588 -6.285 1.00 64.40 O ATOM 0 H SER A 61 -7.386 3.565 -4.492 1.00 23.23 H new ATOM 0 HA SER A 61 -9.242 3.843 -6.785 1.00 21.52 H new ATOM 0 HB2 SER A 61 -8.338 1.549 -6.146 1.00 70.43 H new ATOM 0 HB3 SER A 61 -9.185 1.718 -4.622 1.00 70.43 H new ATOM 0 HG SER A 61 -10.191 0.858 -6.907 1.00 64.40 H new ATOM 933 N LYS A 62 -11.018 4.910 -5.438 1.00 44.01 N ATOM 934 CA LYS A 62 -12.003 5.672 -4.685 1.00 65.23 C ATOM 935 C LYS A 62 -13.078 4.752 -4.118 1.00 2.11 C ATOM 936 O LYS A 62 -13.288 3.646 -4.617 1.00 31.53 O ATOM 937 CB LYS A 62 -12.637 6.749 -5.569 1.00 40.14 C ATOM 938 CG LYS A 62 -11.649 7.795 -6.064 1.00 10.31 C ATOM 939 CD LYS A 62 -11.000 8.543 -4.910 1.00 50.13 C ATOM 940 CE LYS A 62 -10.077 9.643 -5.407 1.00 3.14 C ATOM 941 NZ LYS A 62 -9.469 10.408 -4.288 1.00 42.41 N ATOM 0 H LYS A 62 -11.148 4.938 -6.449 1.00 44.01 H new ATOM 0 HA LYS A 62 -11.494 6.159 -3.853 1.00 65.23 H new ATOM 0 HB2 LYS A 62 -13.107 6.271 -6.428 1.00 40.14 H new ATOM 0 HB3 LYS A 62 -13.429 7.246 -5.009 1.00 40.14 H new ATOM 0 HG2 LYS A 62 -10.878 7.312 -6.665 1.00 10.31 H new ATOM 0 HG3 LYS A 62 -12.163 8.503 -6.714 1.00 10.31 H new ATOM 0 HD2 LYS A 62 -11.773 8.975 -4.275 1.00 50.13 H new ATOM 0 HD3 LYS A 62 -10.435 7.844 -4.294 1.00 50.13 H new ATOM 0 HE2 LYS A 62 -9.287 9.205 -6.018 1.00 3.14 H new ATOM 0 HE3 LYS A 62 -10.637 10.323 -6.049 1.00 3.14 H new ATOM 0 HZ1 LYS A 62 -8.847 11.148 -4.671 1.00 42.41 H new ATOM 0 HZ2 LYS A 62 -10.221 10.848 -3.719 1.00 42.41 H new ATOM 0 HZ3 LYS A 62 -8.913 9.764 -3.689 1.00 42.41 H new