USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 407 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 16 SER OG : rot -88:sc= 1.13 USER MOD Set 1.2: A 33 TYR OH : rot 30:sc= 0.964 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.0323 K(o=0.046,f=-5.5!) USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0.0137 USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 32 HIS : no HD1:sc= -0.127 K(o=-0.13,f=0.79) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.14) USER MOD Single : A 13 ASN : amide:sc= -0.555 X(o=-0.56,f=-0.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.2) USER MOD Single : A 36 ASN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.401 K(o=-0.4,f=-1.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 40 SER OG : rot 180:sc= 0.434 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.161) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 0.939 (180deg=-0.107!) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 6 -7.663 4.743 -2.213 1.00 0.00 N ATOM 101 CA TRP A 6 -7.175 3.729 -1.279 1.00 0.00 C ATOM 102 C TRP A 6 -8.308 3.198 -0.401 1.00 0.00 C ATOM 103 O TRP A 6 -8.676 3.814 0.598 1.00 0.00 O ATOM 104 CB TRP A 6 -6.030 4.296 -0.434 1.00 0.00 C ATOM 105 CG TRP A 6 -4.718 4.323 -1.145 1.00 0.00 C ATOM 106 CD1 TRP A 6 -4.334 5.240 -2.049 1.00 0.00 C ATOM 107 CD2 TRP A 6 -3.604 3.389 -1.042 1.00 0.00 C ATOM 108 NE1 TRP A 6 -3.074 4.965 -2.521 1.00 0.00 N ATOM 109 CE2 TRP A 6 -2.568 3.823 -1.927 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.357 2.215 -0.293 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.360 3.136 -2.058 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -2.139 1.518 -0.423 1.00 0.00 C ATOM 113 CH2 TRP A 6 -1.145 1.979 -1.303 1.00 0.00 C ATOM 0 HA TRP A 6 -6.790 2.886 -1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.286 5.309 -0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.930 3.700 0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.936 6.080 -2.362 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.579 5.526 -3.214 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.111 1.848 0.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.599 3.494 -2.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.968 0.623 0.158 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.214 1.439 -1.396 1.00 0.00 H new ATOM 124 N LEU A 7 -8.850 2.036 -0.779 1.00 0.00 N ATOM 125 CA LEU A 7 -9.920 1.402 -0.025 1.00 0.00 C ATOM 126 C LEU A 7 -9.366 0.870 1.298 1.00 0.00 C ATOM 127 O LEU A 7 -8.153 0.750 1.468 1.00 0.00 O ATOM 128 CB LEU A 7 -10.521 0.260 -0.854 1.00 0.00 C ATOM 129 CG LEU A 7 -11.242 0.813 -2.092 1.00 0.00 C ATOM 130 CD1 LEU A 7 -11.568 -0.341 -3.043 1.00 0.00 C ATOM 131 CD2 LEU A 7 -12.542 1.506 -1.673 1.00 0.00 C ATOM 0 H LEU A 7 -8.559 1.518 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.703 2.130 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.733 -0.427 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.221 -0.311 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.596 1.535 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.080 0.047 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.644 -0.833 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.212 -1.060 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.048 1.896 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.191 0.789 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.314 2.327 -0.994 1.00 0.00 H new ATOM 143 N TRP A 8 -10.262 0.551 2.236 1.00 0.00 N ATOM 144 CA TRP A 8 -9.868 0.036 3.539 1.00 0.00 C ATOM 145 C TRP A 8 -9.029 -1.232 3.374 1.00 0.00 C ATOM 146 O TRP A 8 -8.039 -1.414 4.069 1.00 0.00 O ATOM 147 CB TRP A 8 -11.125 -0.251 4.371 1.00 0.00 C ATOM 148 CG TRP A 8 -11.998 -1.345 3.832 1.00 0.00 C ATOM 149 CD1 TRP A 8 -13.011 -1.185 2.963 1.00 0.00 C ATOM 150 CD2 TRP A 8 -11.946 -2.780 4.102 1.00 0.00 C ATOM 151 NE1 TRP A 8 -13.599 -2.391 2.663 1.00 0.00 N ATOM 152 CE2 TRP A 8 -12.977 -3.422 3.343 1.00 0.00 C ATOM 153 CE3 TRP A 8 -11.132 -3.614 4.907 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -13.186 -4.803 3.381 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -11.341 -5.010 4.948 1.00 0.00 C ATOM 156 CH2 TRP A 8 -12.366 -5.601 4.187 1.00 0.00 C ATOM 0 H TRP A 8 -11.270 0.643 2.110 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.261 0.779 4.056 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -10.821 -0.513 5.384 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.714 0.664 4.442 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -13.322 -0.235 2.555 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -14.387 -2.509 2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -10.341 -3.176 5.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -13.974 -5.251 2.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -10.709 -5.629 5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -12.520 -6.669 4.225 1.00 0.00 H new ATOM 167 N GLU A 9 -9.438 -2.108 2.452 1.00 0.00 N ATOM 168 CA GLU A 9 -8.753 -3.366 2.204 1.00 0.00 C ATOM 169 C GLU A 9 -7.312 -3.123 1.744 1.00 0.00 C ATOM 170 O GLU A 9 -6.406 -3.852 2.146 1.00 0.00 O ATOM 171 CB GLU A 9 -9.542 -4.168 1.157 1.00 0.00 C ATOM 172 CG GLU A 9 -9.603 -3.404 -0.173 1.00 0.00 C ATOM 173 CD GLU A 9 -10.752 -3.907 -1.034 1.00 0.00 C ATOM 174 OE1 GLU A 9 -11.868 -3.370 -0.862 1.00 0.00 O ATOM 175 OE2 GLU A 9 -10.493 -4.819 -1.848 1.00 0.00 O ATOM 0 H GLU A 9 -10.255 -1.959 1.859 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.703 -3.939 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.071 -5.139 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.552 -4.357 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.727 -2.338 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.662 -3.523 -0.709 1.00 0.00 H new ATOM 182 N GLU A 10 -7.102 -2.103 0.902 1.00 0.00 N ATOM 183 CA GLU A 10 -5.780 -1.794 0.376 1.00 0.00 C ATOM 184 C GLU A 10 -4.815 -1.472 1.517 1.00 0.00 C ATOM 185 O GLU A 10 -3.650 -1.861 1.461 1.00 0.00 O ATOM 186 CB GLU A 10 -5.882 -0.635 -0.620 1.00 0.00 C ATOM 187 CG GLU A 10 -6.672 -1.095 -1.850 1.00 0.00 C ATOM 188 CD GLU A 10 -6.620 -0.052 -2.955 1.00 0.00 C ATOM 189 OE1 GLU A 10 -5.682 -0.139 -3.774 1.00 0.00 O ATOM 190 OE2 GLU A 10 -7.519 0.819 -2.965 1.00 0.00 O ATOM 0 H GLU A 10 -7.839 -1.479 0.573 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.385 -2.663 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.375 0.218 -0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.886 -0.305 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.265 -2.038 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.709 -1.282 -1.571 1.00 0.00 H new ATOM 197 N ASP A 11 -5.295 -0.777 2.560 1.00 0.00 N ATOM 198 CA ASP A 11 -4.464 -0.463 3.716 1.00 0.00 C ATOM 199 C ASP A 11 -3.978 -1.764 4.353 1.00 0.00 C ATOM 200 O ASP A 11 -2.801 -1.891 4.689 1.00 0.00 O ATOM 201 CB ASP A 11 -5.265 0.371 4.729 1.00 0.00 C ATOM 202 CG ASP A 11 -4.622 0.331 6.116 1.00 0.00 C ATOM 203 OD1 ASP A 11 -3.431 0.699 6.208 1.00 0.00 O ATOM 204 OD2 ASP A 11 -5.337 -0.070 7.064 1.00 0.00 O ATOM 0 H ASP A 11 -6.251 -0.426 2.620 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.601 0.123 3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.327 1.403 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.286 -0.007 4.788 1.00 0.00 H new ATOM 209 N LYS A 12 -4.888 -2.735 4.515 1.00 0.00 N ATOM 210 CA LYS A 12 -4.545 -4.014 5.127 1.00 0.00 C ATOM 211 C LYS A 12 -3.532 -4.747 4.250 1.00 0.00 C ATOM 212 O LYS A 12 -2.584 -5.336 4.761 1.00 0.00 O ATOM 213 CB LYS A 12 -5.803 -4.881 5.329 1.00 0.00 C ATOM 214 CG LYS A 12 -6.988 -4.051 5.855 1.00 0.00 C ATOM 215 CD LYS A 12 -6.584 -3.233 7.091 1.00 0.00 C ATOM 216 CE LYS A 12 -7.755 -2.341 7.516 1.00 0.00 C ATOM 217 NZ LYS A 12 -7.314 -1.315 8.478 1.00 0.00 N ATOM 0 H LYS A 12 -5.864 -2.654 4.229 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.104 -3.826 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.078 -5.349 4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.582 -5.685 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.343 -3.381 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.816 -4.713 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.306 -3.900 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.710 -2.622 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.188 -1.860 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.539 -2.952 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.145 -0.847 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.758 -1.764 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.727 -0.610 7.989 1.00 0.00 H new ATOM 231 N ASN A 13 -3.735 -4.708 2.928 1.00 0.00 N ATOM 232 CA ASN A 13 -2.842 -5.372 1.987 1.00 0.00 C ATOM 233 C ASN A 13 -1.435 -4.774 2.078 1.00 0.00 C ATOM 234 O ASN A 13 -0.450 -5.508 2.046 1.00 0.00 O ATOM 235 CB ASN A 13 -3.395 -5.229 0.561 1.00 0.00 C ATOM 236 CG ASN A 13 -4.753 -5.916 0.397 1.00 0.00 C ATOM 237 OD1 ASN A 13 -5.649 -5.373 -0.241 1.00 0.00 O ATOM 238 ND2 ASN A 13 -4.906 -7.113 0.967 1.00 0.00 N ATOM 0 H ASN A 13 -4.516 -4.219 2.489 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.781 -6.431 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.492 -4.172 0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.685 -5.657 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.793 -7.610 0.880 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.136 -7.531 1.490 1.00 0.00 H new ATOM 245 N LEU A 14 -1.344 -3.443 2.188 1.00 0.00 N ATOM 246 CA LEU A 14 -0.060 -2.751 2.266 1.00 0.00 C ATOM 247 C LEU A 14 0.639 -3.129 3.572 1.00 0.00 C ATOM 248 O LEU A 14 1.787 -3.573 3.565 1.00 0.00 O ATOM 249 CB LEU A 14 -0.311 -1.228 2.189 1.00 0.00 C ATOM 250 CG LEU A 14 0.836 -0.483 1.469 1.00 0.00 C ATOM 251 CD1 LEU A 14 2.190 -0.844 2.075 1.00 0.00 C ATOM 252 CD2 LEU A 14 0.843 -0.821 -0.024 1.00 0.00 C ATOM 0 H LEU A 14 -2.153 -2.823 2.225 1.00 0.00 H new ATOM 0 HA LEU A 14 0.585 -3.043 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.248 -1.042 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.425 -0.829 3.197 1.00 0.00 H new ATOM 0 HG LEU A 14 0.666 0.586 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.979 -0.306 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.202 -0.567 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.357 -1.917 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.657 -0.287 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.983 -1.894 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.106 -0.523 -0.469 1.00 0.00 H new ATOM 264 N ARG A 15 -0.068 -2.949 4.690 1.00 0.00 N ATOM 265 CA ARG A 15 0.458 -3.248 6.011 1.00 0.00 C ATOM 266 C ARG A 15 0.937 -4.701 6.077 1.00 0.00 C ATOM 267 O ARG A 15 2.045 -4.970 6.538 1.00 0.00 O ATOM 268 CB ARG A 15 -0.654 -2.980 7.036 1.00 0.00 C ATOM 269 CG ARG A 15 -0.056 -2.639 8.406 1.00 0.00 C ATOM 270 CD ARG A 15 -1.151 -2.066 9.316 1.00 0.00 C ATOM 271 NE ARG A 15 -1.757 -0.855 8.727 1.00 0.00 N ATOM 272 CZ ARG A 15 -1.285 0.393 8.922 1.00 0.00 C ATOM 273 NH1 ARG A 15 -0.201 0.608 9.681 1.00 0.00 N ATOM 274 NH2 ARG A 15 -1.905 1.430 8.351 1.00 0.00 N ATOM 0 H ARG A 15 -1.023 -2.591 4.698 1.00 0.00 H new ATOM 0 HA ARG A 15 1.318 -2.616 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.282 -2.158 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.296 -3.857 7.122 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.377 -3.532 8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.752 -1.916 8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.922 -2.819 9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.728 -1.826 10.291 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.582 -0.969 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.278 -0.178 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.144 1.558 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.730 1.275 7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.553 2.377 8.494 1.00 0.00 H new ATOM 288 N SER A 16 0.097 -5.631 5.614 1.00 0.00 N ATOM 289 CA SER A 16 0.413 -7.050 5.632 1.00 0.00 C ATOM 290 C SER A 16 1.608 -7.348 4.726 1.00 0.00 C ATOM 291 O SER A 16 2.525 -8.052 5.132 1.00 0.00 O ATOM 292 CB SER A 16 -0.819 -7.839 5.180 1.00 0.00 C ATOM 293 OG SER A 16 -0.542 -9.223 5.218 1.00 0.00 O ATOM 0 H SER A 16 -0.818 -5.415 5.218 1.00 0.00 H new ATOM 0 HA SER A 16 0.683 -7.349 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.666 -7.611 5.827 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.101 -7.543 4.170 1.00 0.00 H new ATOM 0 HG SER A 16 -0.153 -9.502 4.363 1.00 0.00 H new ATOM 299 N GLY A 17 1.592 -6.819 3.498 1.00 0.00 N ATOM 300 CA GLY A 17 2.653 -7.058 2.530 1.00 0.00 C ATOM 301 C GLY A 17 4.010 -6.629 3.077 1.00 0.00 C ATOM 302 O GLY A 17 4.967 -7.402 3.030 1.00 0.00 O ATOM 0 H GLY A 17 0.844 -6.217 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.681 -8.117 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.440 -6.512 1.611 1.00 0.00 H new ATOM 306 N VAL A 18 4.099 -5.401 3.587 1.00 0.00 N ATOM 307 CA VAL A 18 5.349 -4.877 4.113 1.00 0.00 C ATOM 308 C VAL A 18 5.805 -5.697 5.321 1.00 0.00 C ATOM 309 O VAL A 18 6.980 -6.038 5.427 1.00 0.00 O ATOM 310 CB VAL A 18 5.168 -3.399 4.480 1.00 0.00 C ATOM 311 CG1 VAL A 18 6.399 -2.901 5.240 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.991 -2.575 3.199 1.00 0.00 C ATOM 0 H VAL A 18 3.314 -4.752 3.645 1.00 0.00 H new ATOM 0 HA VAL A 18 6.125 -4.954 3.351 1.00 0.00 H new ATOM 0 HB VAL A 18 4.286 -3.289 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.266 -1.851 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.526 -3.486 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.283 -3.011 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.862 -1.524 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.873 -2.688 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.112 -2.926 2.659 1.00 0.00 H new ATOM 322 N ARG A 19 4.880 -6.011 6.235 1.00 0.00 N ATOM 323 CA ARG A 19 5.212 -6.779 7.429 1.00 0.00 C ATOM 324 C ARG A 19 5.655 -8.196 7.051 1.00 0.00 C ATOM 325 O ARG A 19 6.529 -8.765 7.702 1.00 0.00 O ATOM 326 CB ARG A 19 3.991 -6.832 8.357 1.00 0.00 C ATOM 327 CG ARG A 19 3.775 -5.466 9.029 1.00 0.00 C ATOM 328 CD ARG A 19 4.701 -5.318 10.243 1.00 0.00 C ATOM 329 NE ARG A 19 4.351 -6.280 11.297 1.00 0.00 N ATOM 330 CZ ARG A 19 5.078 -6.437 12.417 1.00 0.00 C ATOM 331 NH1 ARG A 19 6.168 -5.687 12.625 1.00 0.00 N ATOM 332 NH2 ARG A 19 4.710 -7.349 13.328 1.00 0.00 N ATOM 0 H ARG A 19 3.898 -5.743 6.166 1.00 0.00 H new ATOM 0 HA ARG A 19 6.038 -6.292 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.104 -7.110 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.135 -7.600 9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.970 -4.666 8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.735 -5.367 9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.736 -5.471 9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.632 -4.303 10.635 1.00 0.00 H new ATOM 0 HE ARG A 19 3.518 -6.855 11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.450 -4.993 11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.717 -5.810 13.476 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.881 -7.921 13.170 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.259 -7.471 14.179 1.00 0.00 H new ATOM 346 N LYS A 20 5.044 -8.765 6.006 1.00 0.00 N ATOM 347 CA LYS A 20 5.353 -10.116 5.567 1.00 0.00 C ATOM 348 C LYS A 20 6.730 -10.160 4.906 1.00 0.00 C ATOM 349 O LYS A 20 7.570 -10.977 5.283 1.00 0.00 O ATOM 350 CB LYS A 20 4.260 -10.587 4.593 1.00 0.00 C ATOM 351 CG LYS A 20 4.589 -11.979 4.031 1.00 0.00 C ATOM 352 CD LYS A 20 4.698 -13.000 5.169 1.00 0.00 C ATOM 353 CE LYS A 20 4.735 -14.417 4.588 1.00 0.00 C ATOM 354 NZ LYS A 20 4.902 -15.421 5.654 1.00 0.00 N ATOM 0 H LYS A 20 4.327 -8.300 5.449 1.00 0.00 H new ATOM 0 HA LYS A 20 5.378 -10.785 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.298 -10.615 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.164 -9.873 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.814 -12.288 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.526 -11.942 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.598 -12.813 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.850 -12.896 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.814 -14.613 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.554 -14.500 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.924 -16.372 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.793 -15.245 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.107 -15.355 6.321 1.00 0.00 H new ATOM 368 N TYR A 21 6.954 -9.291 3.912 1.00 0.00 N ATOM 369 CA TYR A 21 8.208 -9.264 3.174 1.00 0.00 C ATOM 370 C TYR A 21 9.135 -8.188 3.740 1.00 0.00 C ATOM 371 O TYR A 21 10.050 -8.501 4.497 1.00 0.00 O ATOM 372 CB TYR A 21 7.908 -9.032 1.689 1.00 0.00 C ATOM 373 CG TYR A 21 7.024 -10.110 1.093 1.00 0.00 C ATOM 374 CD1 TYR A 21 7.473 -11.445 1.056 1.00 0.00 C ATOM 375 CD2 TYR A 21 5.752 -9.785 0.588 1.00 0.00 C ATOM 376 CE1 TYR A 21 6.649 -12.448 0.519 1.00 0.00 C ATOM 377 CE2 TYR A 21 4.933 -10.789 0.048 1.00 0.00 C ATOM 378 CZ TYR A 21 5.379 -12.120 0.015 1.00 0.00 C ATOM 379 OH TYR A 21 4.578 -13.093 -0.507 1.00 0.00 O ATOM 0 H TYR A 21 6.274 -8.596 3.604 1.00 0.00 H new ATOM 0 HA TYR A 21 8.723 -10.219 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.424 -8.063 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.846 -8.991 1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.450 -11.697 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.405 -8.763 0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.992 -13.472 0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.958 -10.537 -0.343 1.00 0.00 H new ATOM 0 HH TYR A 21 3.735 -12.695 -0.810 1.00 0.00 H new ATOM 389 N GLY A 22 8.906 -6.923 3.372 1.00 0.00 N ATOM 390 CA GLY A 22 9.732 -5.827 3.845 1.00 0.00 C ATOM 391 C GLY A 22 9.404 -4.551 3.081 1.00 0.00 C ATOM 392 O GLY A 22 8.862 -4.605 1.975 1.00 0.00 O ATOM 0 H GLY A 22 8.152 -6.641 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.568 -5.673 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.786 -6.075 3.717 1.00 0.00 H new ATOM 396 N GLU A 23 9.737 -3.400 3.674 1.00 0.00 N ATOM 397 CA GLU A 23 9.488 -2.110 3.056 1.00 0.00 C ATOM 398 C GLU A 23 10.480 -1.893 1.915 1.00 0.00 C ATOM 399 O GLU A 23 11.603 -2.392 1.966 1.00 0.00 O ATOM 400 CB GLU A 23 9.619 -1.011 4.119 1.00 0.00 C ATOM 401 CG GLU A 23 9.073 0.312 3.573 1.00 0.00 C ATOM 402 CD GLU A 23 8.992 1.373 4.665 1.00 0.00 C ATOM 403 OE1 GLU A 23 8.619 1.002 5.801 1.00 0.00 O ATOM 404 OE2 GLU A 23 9.292 2.544 4.349 1.00 0.00 O ATOM 0 H GLU A 23 10.183 -3.344 4.589 1.00 0.00 H new ATOM 0 HA GLU A 23 8.480 -2.076 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.073 -1.296 5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.664 -0.893 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.714 0.667 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.083 0.150 3.146 1.00 0.00 H new ATOM 411 N GLY A 24 10.061 -1.151 0.882 1.00 0.00 N ATOM 412 CA GLY A 24 10.912 -0.873 -0.266 1.00 0.00 C ATOM 413 C GLY A 24 10.630 -1.865 -1.392 1.00 0.00 C ATOM 414 O GLY A 24 10.669 -1.499 -2.565 1.00 0.00 O ATOM 0 H GLY A 24 9.132 -0.734 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.738 0.144 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.960 -0.934 0.027 1.00 0.00 H new ATOM 418 N ASN A 25 10.348 -3.125 -1.033 1.00 0.00 N ATOM 419 CA ASN A 25 10.077 -4.168 -2.013 1.00 0.00 C ATOM 420 C ASN A 25 8.623 -4.077 -2.487 1.00 0.00 C ATOM 421 O ASN A 25 7.837 -5.006 -2.297 1.00 0.00 O ATOM 422 CB ASN A 25 10.375 -5.533 -1.380 1.00 0.00 C ATOM 423 CG ASN A 25 10.456 -6.625 -2.442 1.00 0.00 C ATOM 424 OD1 ASN A 25 10.106 -6.404 -3.599 1.00 0.00 O ATOM 425 ND2 ASN A 25 10.924 -7.808 -2.043 1.00 0.00 N ATOM 0 H ASN A 25 10.303 -3.441 -0.064 1.00 0.00 H new ATOM 0 HA ASN A 25 10.717 -4.039 -2.886 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.315 -5.485 -0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.597 -5.780 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.003 -8.576 -2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.203 -7.945 -1.071 1.00 0.00 H new ATOM 432 N TRP A 26 8.273 -2.945 -3.106 1.00 0.00 N ATOM 433 CA TRP A 26 6.925 -2.709 -3.604 1.00 0.00 C ATOM 434 C TRP A 26 6.592 -3.695 -4.722 1.00 0.00 C ATOM 435 O TRP A 26 5.446 -4.115 -4.857 1.00 0.00 O ATOM 436 CB TRP A 26 6.821 -1.268 -4.119 1.00 0.00 C ATOM 437 CG TRP A 26 7.569 -0.256 -3.310 1.00 0.00 C ATOM 438 CD1 TRP A 26 8.605 0.481 -3.748 1.00 0.00 C ATOM 439 CD2 TRP A 26 7.369 0.148 -1.920 1.00 0.00 C ATOM 440 NE1 TRP A 26 9.075 1.306 -2.758 1.00 0.00 N ATOM 441 CE2 TRP A 26 8.345 1.142 -1.596 1.00 0.00 C ATOM 442 CE3 TRP A 26 6.469 -0.224 -0.892 1.00 0.00 C ATOM 443 CZ2 TRP A 26 8.424 1.731 -0.333 1.00 0.00 C ATOM 444 CZ3 TRP A 26 6.546 0.374 0.386 1.00 0.00 C ATOM 445 CH2 TRP A 26 7.521 1.349 0.660 1.00 0.00 C ATOM 0 H TRP A 26 8.918 -2.172 -3.273 1.00 0.00 H new ATOM 0 HA TRP A 26 6.211 -2.856 -2.794 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.189 -1.236 -5.144 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.769 -0.983 -4.149 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.013 0.430 -4.747 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.857 1.952 -2.865 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.716 -0.973 -1.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.178 2.476 -0.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.851 0.080 1.158 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.571 1.802 1.639 1.00 0.00 H new ATOM 456 N SER A 27 7.600 -4.054 -5.525 1.00 0.00 N ATOM 457 CA SER A 27 7.421 -4.960 -6.647 1.00 0.00 C ATOM 458 C SER A 27 6.880 -6.308 -6.170 1.00 0.00 C ATOM 459 O SER A 27 5.813 -6.731 -6.606 1.00 0.00 O ATOM 460 CB SER A 27 8.760 -5.136 -7.367 1.00 0.00 C ATOM 461 OG SER A 27 9.784 -5.360 -6.419 1.00 0.00 O ATOM 0 H SER A 27 8.557 -3.721 -5.409 1.00 0.00 H new ATOM 0 HA SER A 27 6.693 -4.538 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.703 -5.975 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.986 -4.248 -7.958 1.00 0.00 H new ATOM 0 HG SER A 27 10.640 -5.474 -6.883 1.00 0.00 H new ATOM 467 N LYS A 28 7.618 -6.984 -5.280 1.00 0.00 N ATOM 468 CA LYS A 28 7.213 -8.292 -4.779 1.00 0.00 C ATOM 469 C LYS A 28 5.826 -8.210 -4.139 1.00 0.00 C ATOM 470 O LYS A 28 4.981 -9.065 -4.394 1.00 0.00 O ATOM 471 CB LYS A 28 8.249 -8.802 -3.775 1.00 0.00 C ATOM 472 CG LYS A 28 7.960 -10.265 -3.434 1.00 0.00 C ATOM 473 CD LYS A 28 9.086 -10.823 -2.561 1.00 0.00 C ATOM 474 CE LYS A 28 8.879 -12.327 -2.361 1.00 0.00 C ATOM 475 NZ LYS A 28 9.886 -12.882 -1.439 1.00 0.00 N ATOM 0 H LYS A 28 8.498 -6.641 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 28 7.158 -8.994 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.251 -8.707 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.222 -8.195 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.007 -10.345 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.871 -10.851 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.052 -10.637 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.099 -10.315 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.880 -12.511 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.941 -12.837 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.723 -13.902 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.837 -12.726 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.809 -12.410 -0.516 1.00 0.00 H new ATOM 489 N ILE A 29 5.592 -7.183 -3.312 1.00 0.00 N ATOM 490 CA ILE A 29 4.304 -7.007 -2.655 1.00 0.00 C ATOM 491 C ILE A 29 3.197 -6.954 -3.711 1.00 0.00 C ATOM 492 O ILE A 29 2.225 -7.693 -3.621 1.00 0.00 O ATOM 493 CB ILE A 29 4.329 -5.725 -1.803 1.00 0.00 C ATOM 494 CG1 ILE A 29 5.223 -5.952 -0.573 1.00 0.00 C ATOM 495 CG2 ILE A 29 2.904 -5.378 -1.347 1.00 0.00 C ATOM 496 CD1 ILE A 29 5.571 -4.614 0.086 1.00 0.00 C ATOM 0 H ILE A 29 6.281 -6.466 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 29 4.104 -7.849 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 29 4.725 -4.901 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.712 -6.595 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.137 -6.468 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.926 -4.470 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.271 -5.219 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.502 -6.199 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.204 -4.790 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.102 -3.984 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.655 -4.114 0.400 1.00 0.00 H new ATOM 508 N LEU A 30 3.353 -6.080 -4.708 1.00 0.00 N ATOM 509 CA LEU A 30 2.370 -5.922 -5.774 1.00 0.00 C ATOM 510 C LEU A 30 2.179 -7.241 -6.533 1.00 0.00 C ATOM 511 O LEU A 30 1.074 -7.548 -6.972 1.00 0.00 O ATOM 512 CB LEU A 30 2.851 -4.809 -6.718 1.00 0.00 C ATOM 513 CG LEU A 30 1.790 -4.512 -7.789 1.00 0.00 C ATOM 514 CD1 LEU A 30 1.713 -3.000 -8.017 1.00 0.00 C ATOM 515 CD2 LEU A 30 2.168 -5.199 -9.106 1.00 0.00 C ATOM 0 H LEU A 30 4.162 -5.466 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 30 1.404 -5.649 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.061 -3.905 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.784 -5.108 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 30 0.825 -4.889 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.961 -2.784 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.440 -2.505 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.683 -2.633 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.410 -4.983 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.134 -4.827 -9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.228 -6.276 -8.950 1.00 0.00 H new ATOM 527 N LEU A 31 3.259 -8.012 -6.690 1.00 0.00 N ATOM 528 CA LEU A 31 3.223 -9.273 -7.424 1.00 0.00 C ATOM 529 C LEU A 31 2.320 -10.308 -6.733 1.00 0.00 C ATOM 530 O LEU A 31 1.902 -11.273 -7.370 1.00 0.00 O ATOM 531 CB LEU A 31 4.658 -9.812 -7.549 1.00 0.00 C ATOM 532 CG LEU A 31 4.787 -10.720 -8.782 1.00 0.00 C ATOM 533 CD1 LEU A 31 4.984 -9.865 -10.039 1.00 0.00 C ATOM 534 CD2 LEU A 31 5.995 -11.644 -8.606 1.00 0.00 C ATOM 0 H LEU A 31 4.177 -7.778 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 31 2.802 -9.092 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.359 -8.981 -7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.923 -10.369 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 31 3.879 -11.314 -8.888 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.075 -10.514 -10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.127 -9.204 -10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.890 -9.268 -9.935 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.089 -12.290 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.899 -11.045 -8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.858 -12.257 -7.715 1.00 0.00 H new ATOM 546 N HIS A 32 2.028 -10.121 -5.434 1.00 0.00 N ATOM 547 CA HIS A 32 1.216 -11.073 -4.677 1.00 0.00 C ATOM 548 C HIS A 32 -0.110 -10.442 -4.248 1.00 0.00 C ATOM 549 O HIS A 32 -1.175 -11.003 -4.504 1.00 0.00 O ATOM 550 CB HIS A 32 2.014 -11.546 -3.461 1.00 0.00 C ATOM 551 CG HIS A 32 3.352 -12.123 -3.843 1.00 0.00 C ATOM 552 ND1 HIS A 32 3.498 -13.092 -4.830 1.00 0.00 N ATOM 553 CD2 HIS A 32 4.624 -11.883 -3.396 1.00 0.00 C ATOM 554 CE1 HIS A 32 4.816 -13.370 -4.909 1.00 0.00 C ATOM 555 NE2 HIS A 32 5.561 -12.664 -4.058 1.00 0.00 N ATOM 0 H HIS A 32 2.345 -9.317 -4.892 1.00 0.00 H new ATOM 0 HA HIS A 32 0.978 -11.928 -5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.163 -10.709 -2.779 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.438 -12.297 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.869 -11.171 -2.621 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.228 -14.095 -5.596 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.572 -12.691 -3.926 1.00 0.00 H new ATOM 563 N TYR A 33 -0.042 -9.283 -3.589 1.00 0.00 N ATOM 564 CA TYR A 33 -1.226 -8.585 -3.108 1.00 0.00 C ATOM 565 C TYR A 33 -1.924 -7.868 -4.273 1.00 0.00 C ATOM 566 O TYR A 33 -1.626 -8.131 -5.435 1.00 0.00 O ATOM 567 CB TYR A 33 -0.805 -7.599 -2.006 1.00 0.00 C ATOM 568 CG TYR A 33 -0.425 -8.284 -0.708 1.00 0.00 C ATOM 569 CD1 TYR A 33 0.859 -8.833 -0.546 1.00 0.00 C ATOM 570 CD2 TYR A 33 -1.363 -8.376 0.338 1.00 0.00 C ATOM 571 CE1 TYR A 33 1.204 -9.471 0.656 1.00 0.00 C ATOM 572 CE2 TYR A 33 -1.013 -9.010 1.542 1.00 0.00 C ATOM 573 CZ TYR A 33 0.271 -9.556 1.701 1.00 0.00 C ATOM 574 OH TYR A 33 0.615 -10.171 2.869 1.00 0.00 O ATOM 0 H TYR A 33 0.835 -8.807 -3.377 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.939 -9.294 -2.688 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.040 -7.008 -2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.623 -6.904 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.580 -8.764 -1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.352 -7.959 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.189 -9.897 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.732 -9.077 2.345 1.00 0.00 H new ATOM 0 HH TYR A 33 1.577 -10.067 3.022 1.00 0.00 H new ATOM 584 N LYS A 34 -2.863 -6.966 -3.949 1.00 0.00 N ATOM 585 CA LYS A 34 -3.616 -6.224 -4.951 1.00 0.00 C ATOM 586 C LYS A 34 -2.741 -5.115 -5.547 1.00 0.00 C ATOM 587 O LYS A 34 -1.599 -5.362 -5.917 1.00 0.00 O ATOM 588 CB LYS A 34 -4.888 -5.654 -4.298 1.00 0.00 C ATOM 589 CG LYS A 34 -5.654 -6.775 -3.586 1.00 0.00 C ATOM 590 CD LYS A 34 -7.072 -6.303 -3.256 1.00 0.00 C ATOM 591 CE LYS A 34 -7.776 -7.355 -2.395 1.00 0.00 C ATOM 592 NZ LYS A 34 -9.223 -7.089 -2.306 1.00 0.00 N ATOM 0 H LYS A 34 -3.115 -6.737 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.911 -6.883 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.623 -4.873 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.521 -5.193 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.694 -7.661 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.133 -7.060 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.035 -5.351 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.634 -6.136 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.611 -8.346 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.342 -7.360 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.672 -7.808 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.378 -6.146 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.642 -7.125 -3.257 1.00 0.00 H new ATOM 606 N PHE A 35 -3.298 -3.900 -5.638 1.00 0.00 N ATOM 607 CA PHE A 35 -2.603 -2.734 -6.182 1.00 0.00 C ATOM 608 C PHE A 35 -2.475 -2.864 -7.695 1.00 0.00 C ATOM 609 O PHE A 35 -1.504 -3.420 -8.199 1.00 0.00 O ATOM 610 CB PHE A 35 -1.230 -2.556 -5.516 1.00 0.00 C ATOM 611 CG PHE A 35 -1.290 -2.648 -4.008 1.00 0.00 C ATOM 612 CD1 PHE A 35 -2.145 -1.793 -3.291 1.00 0.00 C ATOM 613 CD2 PHE A 35 -0.507 -3.595 -3.320 1.00 0.00 C ATOM 614 CE1 PHE A 35 -2.218 -1.884 -1.897 1.00 0.00 C ATOM 615 CE2 PHE A 35 -0.583 -3.683 -1.923 1.00 0.00 C ATOM 616 CZ PHE A 35 -1.440 -2.829 -1.214 1.00 0.00 C ATOM 0 H PHE A 35 -4.251 -3.701 -5.333 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.188 -1.841 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.547 -3.317 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.817 -1.588 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.746 -1.066 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.151 -4.253 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.874 -1.226 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.018 -4.408 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.501 -2.900 -0.138 1.00 0.00 H new ATOM 626 N ASN A 36 -3.475 -2.342 -8.411 1.00 0.00 N ATOM 627 CA ASN A 36 -3.503 -2.387 -9.865 1.00 0.00 C ATOM 628 C ASN A 36 -3.036 -1.046 -10.418 1.00 0.00 C ATOM 629 O ASN A 36 -2.031 -0.980 -11.120 1.00 0.00 O ATOM 630 CB ASN A 36 -4.926 -2.709 -10.337 1.00 0.00 C ATOM 631 CG ASN A 36 -5.283 -4.165 -10.051 1.00 0.00 C ATOM 632 OD1 ASN A 36 -5.266 -4.997 -10.953 1.00 0.00 O ATOM 633 ND2 ASN A 36 -5.609 -4.472 -8.795 1.00 0.00 N ATOM 0 H ASN A 36 -4.283 -1.879 -7.995 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.834 -3.166 -10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.636 -2.052 -9.835 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.011 -2.514 -11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.858 -5.431 -8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.610 -3.748 -8.077 1.00 0.00 H new ATOM 640 N ASN A 37 -3.772 0.029 -10.095 1.00 0.00 N ATOM 641 CA ASN A 37 -3.435 1.370 -10.559 1.00 0.00 C ATOM 642 C ASN A 37 -2.535 2.068 -9.532 1.00 0.00 C ATOM 643 O ASN A 37 -2.653 3.273 -9.317 1.00 0.00 O ATOM 644 CB ASN A 37 -4.730 2.160 -10.786 1.00 0.00 C ATOM 645 CG ASN A 37 -4.461 3.477 -11.514 1.00 0.00 C ATOM 646 OD1 ASN A 37 -3.513 3.583 -12.288 1.00 0.00 O ATOM 647 ND2 ASN A 37 -5.301 4.482 -11.264 1.00 0.00 N ATOM 0 H ASN A 37 -4.607 -0.013 -9.511 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.888 1.313 -11.500 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.428 1.558 -11.367 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.206 2.364 -9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.169 5.383 -11.723 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.075 4.350 -10.614 1.00 0.00 H new ATOM 654 N ARG A 38 -1.633 1.301 -8.901 1.00 0.00 N ATOM 655 CA ARG A 38 -0.701 1.830 -7.915 1.00 0.00 C ATOM 656 C ARG A 38 0.632 1.112 -8.077 1.00 0.00 C ATOM 657 O ARG A 38 0.661 -0.114 -8.136 1.00 0.00 O ATOM 658 CB ARG A 38 -1.246 1.618 -6.497 1.00 0.00 C ATOM 659 CG ARG A 38 -2.666 2.174 -6.372 1.00 0.00 C ATOM 660 CD ARG A 38 -3.030 2.297 -4.891 1.00 0.00 C ATOM 661 NE ARG A 38 -4.470 2.115 -4.674 1.00 0.00 N ATOM 662 CZ ARG A 38 -5.392 3.045 -4.973 1.00 0.00 C ATOM 663 NH1 ARG A 38 -5.025 4.202 -5.541 1.00 0.00 N ATOM 664 NH2 ARG A 38 -6.683 2.812 -4.704 1.00 0.00 N ATOM 0 H ARG A 38 -1.536 0.299 -9.065 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.569 2.901 -8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.245 0.555 -6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.594 2.109 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.732 3.148 -6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.373 1.517 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.478 1.553 -4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.726 3.276 -4.521 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.789 1.233 -4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.042 4.379 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.729 4.905 -5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.963 1.931 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.386 3.516 -4.930 1.00 0.00 H new ATOM 678 N THR A 39 1.734 1.872 -8.158 1.00 0.00 N ATOM 679 CA THR A 39 3.053 1.288 -8.349 1.00 0.00 C ATOM 680 C THR A 39 4.112 2.087 -7.589 1.00 0.00 C ATOM 681 O THR A 39 4.034 3.312 -7.520 1.00 0.00 O ATOM 682 CB THR A 39 3.376 1.258 -9.852 1.00 0.00 C ATOM 683 OG1 THR A 39 2.290 0.696 -10.558 1.00 0.00 O ATOM 684 CG2 THR A 39 4.629 0.416 -10.104 1.00 0.00 C ATOM 0 H THR A 39 1.729 2.890 -8.093 1.00 0.00 H new ATOM 0 HA THR A 39 3.057 0.271 -7.956 1.00 0.00 H new ATOM 0 HB THR A 39 3.552 2.277 -10.195 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.496 0.679 -11.516 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.849 0.401 -11.171 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.472 0.849 -9.566 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.459 -0.602 -9.754 1.00 0.00 H new ATOM 692 N SER A 40 5.101 1.357 -7.038 1.00 0.00 N ATOM 693 CA SER A 40 6.256 1.908 -6.319 1.00 0.00 C ATOM 694 C SER A 40 5.938 3.200 -5.549 1.00 0.00 C ATOM 695 O SER A 40 5.521 3.143 -4.396 1.00 0.00 O ATOM 696 CB SER A 40 7.405 2.128 -7.316 1.00 0.00 C ATOM 697 OG SER A 40 6.967 2.925 -8.397 1.00 0.00 O ATOM 0 H SER A 40 5.115 0.338 -7.085 1.00 0.00 H new ATOM 0 HA SER A 40 6.549 1.183 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.244 2.611 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.765 1.168 -7.685 1.00 0.00 H new ATOM 0 HG SER A 40 7.707 3.060 -9.025 1.00 0.00 H new ATOM 703 N VAL A 41 6.168 4.357 -6.188 1.00 0.00 N ATOM 704 CA VAL A 41 6.000 5.666 -5.560 1.00 0.00 C ATOM 705 C VAL A 41 4.655 5.788 -4.834 1.00 0.00 C ATOM 706 O VAL A 41 4.600 6.361 -3.750 1.00 0.00 O ATOM 707 CB VAL A 41 6.159 6.779 -6.616 1.00 0.00 C ATOM 708 CG1 VAL A 41 7.583 6.753 -7.181 1.00 0.00 C ATOM 709 CG2 VAL A 41 5.154 6.596 -7.763 1.00 0.00 C ATOM 0 H VAL A 41 6.477 4.406 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 41 6.777 5.777 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 41 5.967 7.738 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.693 7.540 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.298 6.915 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.773 5.785 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.287 7.394 -8.494 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.322 5.632 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.139 6.632 -7.367 1.00 0.00 H new ATOM 719 N MET A 42 3.575 5.260 -5.420 1.00 0.00 N ATOM 720 CA MET A 42 2.254 5.358 -4.812 1.00 0.00 C ATOM 721 C MET A 42 2.214 4.567 -3.504 1.00 0.00 C ATOM 722 O MET A 42 1.730 5.070 -2.489 1.00 0.00 O ATOM 723 CB MET A 42 1.195 4.848 -5.794 1.00 0.00 C ATOM 724 CG MET A 42 1.144 5.766 -7.019 1.00 0.00 C ATOM 725 SD MET A 42 -0.369 5.597 -7.999 1.00 0.00 S ATOM 726 CE MET A 42 -0.009 6.806 -9.295 1.00 0.00 C ATOM 0 H MET A 42 3.594 4.763 -6.311 1.00 0.00 H new ATOM 0 HA MET A 42 2.039 6.401 -4.581 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.430 3.829 -6.101 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.219 4.818 -5.309 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.238 6.801 -6.690 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.003 5.554 -7.656 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.839 6.841 -10.000 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.128 7.790 -8.847 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.901 6.516 -9.820 1.00 0.00 H new ATOM 736 N LEU A 43 2.723 3.330 -3.527 1.00 0.00 N ATOM 737 CA LEU A 43 2.738 2.479 -2.346 1.00 0.00 C ATOM 738 C LEU A 43 3.615 3.112 -1.267 1.00 0.00 C ATOM 739 O LEU A 43 3.231 3.158 -0.104 1.00 0.00 O ATOM 740 CB LEU A 43 3.264 1.081 -2.714 1.00 0.00 C ATOM 741 CG LEU A 43 2.148 0.232 -3.354 1.00 0.00 C ATOM 742 CD1 LEU A 43 1.963 0.614 -4.824 1.00 0.00 C ATOM 743 CD2 LEU A 43 2.524 -1.250 -3.265 1.00 0.00 C ATOM 0 H LEU A 43 3.130 2.900 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 43 1.723 2.378 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.101 1.172 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.641 0.582 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 43 1.216 0.416 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.171 0.005 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.692 1.667 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.894 0.442 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.736 -1.853 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.461 -1.420 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.643 -1.533 -2.219 1.00 0.00 H new ATOM 755 N LYS A 44 4.794 3.596 -1.665 1.00 0.00 N ATOM 756 CA LYS A 44 5.742 4.212 -0.748 1.00 0.00 C ATOM 757 C LYS A 44 5.128 5.443 -0.080 1.00 0.00 C ATOM 758 O LYS A 44 5.163 5.571 1.146 1.00 0.00 O ATOM 759 CB LYS A 44 6.998 4.599 -1.542 1.00 0.00 C ATOM 760 CG LYS A 44 8.065 5.191 -0.606 1.00 0.00 C ATOM 761 CD LYS A 44 8.151 6.716 -0.792 1.00 0.00 C ATOM 762 CE LYS A 44 8.871 7.059 -2.107 1.00 0.00 C ATOM 763 NZ LYS A 44 10.315 6.771 -2.022 1.00 0.00 N ATOM 0 H LYS A 44 5.114 3.569 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 44 6.003 3.507 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.398 3.722 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.739 5.325 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.820 4.957 0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.034 4.737 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.149 7.145 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.684 7.161 0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.432 6.486 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.722 8.113 -2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.809 7.238 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.687 7.127 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.468 5.744 -2.078 1.00 0.00 H new ATOM 777 N ASP A 45 4.583 6.352 -0.891 1.00 0.00 N ATOM 778 CA ASP A 45 4.021 7.602 -0.404 1.00 0.00 C ATOM 779 C ASP A 45 2.872 7.356 0.576 1.00 0.00 C ATOM 780 O ASP A 45 2.738 8.083 1.559 1.00 0.00 O ATOM 781 CB ASP A 45 3.541 8.429 -1.600 1.00 0.00 C ATOM 782 CG ASP A 45 2.989 9.775 -1.148 1.00 0.00 C ATOM 783 OD1 ASP A 45 3.737 10.491 -0.451 1.00 0.00 O ATOM 784 OD2 ASP A 45 1.827 10.062 -1.510 1.00 0.00 O ATOM 0 H ASP A 45 4.521 6.237 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 45 4.793 8.149 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.367 8.585 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.771 7.879 -2.141 1.00 0.00 H new ATOM 789 N ARG A 46 2.036 6.344 0.316 1.00 0.00 N ATOM 790 CA ARG A 46 0.893 6.073 1.170 1.00 0.00 C ATOM 791 C ARG A 46 1.331 5.318 2.419 1.00 0.00 C ATOM 792 O ARG A 46 0.853 5.609 3.513 1.00 0.00 O ATOM 793 CB ARG A 46 -0.163 5.283 0.389 1.00 0.00 C ATOM 794 CG ARG A 46 -1.564 5.621 0.921 1.00 0.00 C ATOM 795 CD ARG A 46 -2.174 6.795 0.136 1.00 0.00 C ATOM 796 NE ARG A 46 -1.594 8.085 0.547 1.00 0.00 N ATOM 797 CZ ARG A 46 -0.616 8.726 -0.131 1.00 0.00 C ATOM 798 NH1 ARG A 46 -0.096 8.205 -1.250 1.00 0.00 N ATOM 799 NH2 ARG A 46 -0.154 9.896 0.317 1.00 0.00 N ATOM 0 H ARG A 46 2.135 5.708 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 46 0.451 7.017 1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.099 5.523 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.024 4.214 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.210 4.747 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.505 5.876 1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.008 6.645 -0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.253 6.815 0.291 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.953 8.522 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.438 7.311 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.642 8.702 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.539 10.304 1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.584 10.382 -0.193 1.00 0.00 H new ATOM 813 N TRP A 47 2.237 4.350 2.257 1.00 0.00 N ATOM 814 CA TRP A 47 2.723 3.557 3.373 1.00 0.00 C ATOM 815 C TRP A 47 3.304 4.464 4.455 1.00 0.00 C ATOM 816 O TRP A 47 3.095 4.224 5.644 1.00 0.00 O ATOM 817 CB TRP A 47 3.774 2.568 2.880 1.00 0.00 C ATOM 818 CG TRP A 47 4.394 1.739 3.959 1.00 0.00 C ATOM 819 CD1 TRP A 47 5.709 1.553 4.134 1.00 0.00 C ATOM 820 CD2 TRP A 47 3.752 0.988 5.039 1.00 0.00 C ATOM 821 NE1 TRP A 47 5.956 0.754 5.220 1.00 0.00 N ATOM 822 CE2 TRP A 47 4.776 0.370 5.825 1.00 0.00 C ATOM 823 CE3 TRP A 47 2.414 0.763 5.447 1.00 0.00 C ATOM 824 CZ2 TRP A 47 4.492 -0.420 6.941 1.00 0.00 C ATOM 825 CZ3 TRP A 47 2.124 -0.030 6.574 1.00 0.00 C ATOM 826 CH2 TRP A 47 3.161 -0.621 7.320 1.00 0.00 C ATOM 0 H TRP A 47 2.646 4.101 1.356 1.00 0.00 H new ATOM 0 HA TRP A 47 1.891 3.001 3.806 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.316 1.905 2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.560 3.119 2.364 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.475 1.977 3.502 1.00 0.00 H new ATOM 0 HE1 TRP A 47 6.886 0.480 5.538 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.605 1.206 4.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.293 -0.872 7.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.097 -0.186 6.869 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.929 -1.228 8.183 1.00 0.00 H new ATOM 837 N ARG A 48 4.030 5.510 4.039 1.00 0.00 N ATOM 838 CA ARG A 48 4.630 6.459 4.965 1.00 0.00 C ATOM 839 C ARG A 48 3.571 6.988 5.939 1.00 0.00 C ATOM 840 O ARG A 48 3.835 7.112 7.135 1.00 0.00 O ATOM 841 CB ARG A 48 5.261 7.603 4.165 1.00 0.00 C ATOM 842 CG ARG A 48 5.942 8.593 5.115 1.00 0.00 C ATOM 843 CD ARG A 48 6.765 9.602 4.308 1.00 0.00 C ATOM 844 NE ARG A 48 7.936 8.962 3.689 1.00 0.00 N ATOM 845 CZ ARG A 48 9.063 8.668 4.366 1.00 0.00 C ATOM 846 NH1 ARG A 48 9.169 8.966 5.669 1.00 0.00 N ATOM 847 NH2 ARG A 48 10.085 8.075 3.734 1.00 0.00 N ATOM 0 H ARG A 48 4.213 5.715 3.057 1.00 0.00 H new ATOM 0 HA ARG A 48 5.405 5.966 5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.989 7.205 3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.496 8.114 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.193 9.114 5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.587 8.058 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.140 10.048 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.092 10.412 4.960 1.00 0.00 H new ATOM 0 HE ARG A 48 7.892 8.729 2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.394 9.418 6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.025 8.741 6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.009 7.847 2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.939 7.851 4.244 1.00 0.00 H new ATOM 861 N THR A 49 2.376 7.296 5.422 1.00 0.00 N ATOM 862 CA THR A 49 1.288 7.814 6.237 1.00 0.00 C ATOM 863 C THR A 49 0.628 6.680 7.025 1.00 0.00 C ATOM 864 O THR A 49 0.383 6.823 8.217 1.00 0.00 O ATOM 865 CB THR A 49 0.268 8.513 5.329 1.00 0.00 C ATOM 866 OG1 THR A 49 0.938 9.438 4.499 1.00 0.00 O ATOM 867 CG2 THR A 49 -0.764 9.255 6.183 1.00 0.00 C ATOM 0 H THR A 49 2.144 7.192 4.434 1.00 0.00 H new ATOM 0 HA THR A 49 1.680 8.536 6.954 1.00 0.00 H new ATOM 0 HB THR A 49 -0.239 7.767 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.289 9.885 3.917 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.486 9.750 5.533 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.282 8.544 6.827 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.259 10.000 6.798 1.00 0.00 H new ATOM 875 N MET A 50 0.342 5.555 6.350 1.00 0.00 N ATOM 876 CA MET A 50 -0.315 4.407 6.975 1.00 0.00 C ATOM 877 C MET A 50 0.434 3.961 8.236 1.00 0.00 C ATOM 878 O MET A 50 -0.195 3.529 9.205 1.00 0.00 O ATOM 879 CB MET A 50 -0.397 3.256 5.964 1.00 0.00 C ATOM 880 CG MET A 50 -1.789 3.215 5.327 1.00 0.00 C ATOM 881 SD MET A 50 -2.216 4.698 4.384 1.00 0.00 S ATOM 882 CE MET A 50 -3.845 4.193 3.778 1.00 0.00 C ATOM 0 H MET A 50 0.560 5.421 5.363 1.00 0.00 H new ATOM 0 HA MET A 50 -1.321 4.699 7.275 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.361 3.385 5.192 1.00 0.00 H new ATOM 0 HB3 MET A 50 -0.188 2.309 6.461 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.849 2.349 4.668 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.531 3.071 6.112 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.270 4.991 3.169 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.745 3.290 3.175 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.502 3.994 4.624 1.00 0.00 H new ATOM 892 N LYS A 51 1.772 4.060 8.229 1.00 0.00 N ATOM 893 CA LYS A 51 2.572 3.684 9.390 1.00 0.00 C ATOM 894 C LYS A 51 2.179 4.544 10.592 1.00 0.00 C ATOM 895 O LYS A 51 2.170 4.056 11.722 1.00 0.00 O ATOM 896 CB LYS A 51 4.062 3.849 9.068 1.00 0.00 C ATOM 897 CG LYS A 51 4.563 2.609 8.323 1.00 0.00 C ATOM 898 CD LYS A 51 6.086 2.667 8.156 1.00 0.00 C ATOM 899 CE LYS A 51 6.460 3.661 7.053 1.00 0.00 C ATOM 900 NZ LYS A 51 7.879 3.517 6.675 1.00 0.00 N ATOM 0 H LYS A 51 2.315 4.396 7.433 1.00 0.00 H new ATOM 0 HA LYS A 51 2.384 2.639 9.637 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.217 4.740 8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.631 3.989 9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.285 1.709 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.085 2.546 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.551 2.964 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.470 1.677 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.828 3.497 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.272 4.679 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.035 3.946 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.476 3.995 7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.128 2.508 6.638 1.00 0.00 H new