USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 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: D 27 ASN : amide:sc= -1.31 K(o=-1.9,f=-3.5!) USER MOD Set 1.2: D 32 HIS : no HD1:sc= -0.566 K(o=-1.9,f=-1) USER MOD Set 2.1: D 20 ASN : amide:sc= 0 K(o=0.59,f=-0.52) USER MOD Set 2.2: D 23 GLN : amide:sc= 0.591 K(o=0.59,f=-0.0033) USER MOD Set 3.1: C 27 ASN : amide:sc= -0.593 K(o=-0.85,f=-3.1!) USER MOD Set 3.2: C 32 HIS : no HD1:sc= -0.261 K(o=-0.85,f=-0.34) USER MOD Single : C 19 TYR OH : rot 124:sc= 0.114 USER MOD Single : C 20 ASN : amide:sc=-0.00509 K(o=-0.0051,f=-0.95) USER MOD Single : C 23 GLN : amide:sc= -0.0937 X(o=-0.094,f=0) USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 25 TYR OH : rot 180:sc= 0 USER MOD Single : C 30 THR OG1 : rot 180:sc= 0 USER MOD Single : C 34 TYR OH : rot 180:sc= 0 USER MOD Single : D 19 TYR OH : rot 180:sc= 0 USER MOD Single : D 24 GLN : amide:sc= -0.0053 K(o=-0.0053,f=-1.1) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot -72:sc= 0.736 USER MOD Single : D 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -7.352 -6.956 8.924 1.00 0.00 N ATOM 122 CA PRO C 11 -8.656 -6.311 8.832 1.00 0.00 C ATOM 123 C PRO C 11 -8.553 -5.020 8.013 1.00 0.00 C ATOM 124 O PRO C 11 -7.624 -4.239 8.219 1.00 0.00 O ATOM 125 CB PRO C 11 -9.100 -6.066 10.279 1.00 0.00 C ATOM 126 CG PRO C 11 -7.802 -6.053 11.080 1.00 0.00 C ATOM 127 CD PRO C 11 -6.888 -6.996 10.301 1.00 0.00 C ATOM 0 HA PRO C 11 -9.393 -6.925 8.314 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.635 -5.121 10.375 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.773 -6.850 10.626 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.381 -5.050 11.145 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.958 -6.399 12.102 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.848 -6.678 10.372 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.940 -8.009 10.701 1.00 0.00 H new ATOM 135 N VAL C 12 -9.557 -4.733 7.175 1.00 0.00 N ATOM 136 CA VAL C 12 -9.588 -3.541 6.316 1.00 0.00 C ATOM 137 C VAL C 12 -9.469 -2.246 7.133 1.00 0.00 C ATOM 138 O VAL C 12 -8.955 -1.257 6.626 1.00 0.00 O ATOM 139 CB VAL C 12 -10.837 -3.532 5.407 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.703 -2.517 4.259 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.096 -4.898 4.753 1.00 0.00 C ATOM 0 H VAL C 12 -10.379 -5.328 7.073 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.714 -3.588 5.666 1.00 0.00 H new ATOM 0 HB VAL C 12 -11.661 -3.266 6.069 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.602 -2.543 3.644 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.574 -1.516 4.671 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -9.838 -2.772 3.647 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.985 -4.838 4.125 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.238 -5.177 4.142 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -11.250 -5.649 5.528 1.00 0.00 H new ATOM 151 N GLU C 13 -9.955 -2.232 8.376 1.00 0.00 N ATOM 152 CA GLU C 13 -9.892 -1.068 9.250 1.00 0.00 C ATOM 153 C GLU C 13 -8.429 -0.694 9.517 1.00 0.00 C ATOM 154 O GLU C 13 -8.052 0.475 9.399 1.00 0.00 O ATOM 155 CB GLU C 13 -10.649 -1.431 10.538 1.00 0.00 C ATOM 156 CG GLU C 13 -10.754 -0.314 11.582 1.00 0.00 C ATOM 157 CD GLU C 13 -11.592 0.868 11.104 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.728 0.675 10.609 1.00 0.00 O ATOM 159 OE2 GLU C 13 -11.115 2.024 11.176 1.00 0.00 O ATOM 0 H GLU C 13 -10.407 -3.039 8.805 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.355 -0.193 8.794 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.657 -1.748 10.269 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.157 -2.288 10.998 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -11.191 -0.717 12.495 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -9.753 0.035 11.835 1.00 0.00 H new ATOM 166 N ASP C 14 -7.621 -1.695 9.871 1.00 0.00 N ATOM 167 CA ASP C 14 -6.200 -1.554 10.155 1.00 0.00 C ATOM 168 C ASP C 14 -5.448 -1.261 8.863 1.00 0.00 C ATOM 169 O ASP C 14 -4.639 -0.337 8.822 1.00 0.00 O ATOM 170 CB ASP C 14 -5.665 -2.843 10.777 1.00 0.00 C ATOM 171 CG ASP C 14 -4.236 -2.640 11.258 1.00 0.00 C ATOM 172 OD1 ASP C 14 -4.059 -2.310 12.451 1.00 0.00 O ATOM 173 OD2 ASP C 14 -3.295 -3.077 10.569 1.00 0.00 O ATOM 0 H ASP C 14 -7.952 -2.655 9.970 1.00 0.00 H new ATOM 0 HA ASP C 14 -6.055 -0.731 10.855 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -6.298 -3.143 11.612 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.699 -3.650 10.045 1.00 0.00 H new ATOM 178 N LEU C 15 -5.843 -1.943 7.778 1.00 0.00 N ATOM 179 CA LEU C 15 -5.317 -1.859 6.411 1.00 0.00 C ATOM 180 C LEU C 15 -5.534 -0.476 5.774 1.00 0.00 C ATOM 181 O LEU C 15 -5.248 -0.299 4.596 1.00 0.00 O ATOM 182 CB LEU C 15 -5.983 -2.962 5.569 1.00 0.00 C ATOM 183 CG LEU C 15 -5.313 -3.378 4.244 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.860 -3.817 4.418 1.00 0.00 C ATOM 185 CD2 LEU C 15 -6.127 -4.534 3.645 1.00 0.00 C ATOM 0 H LEU C 15 -6.601 -2.623 7.841 1.00 0.00 H new ATOM 0 HA LEU C 15 -4.237 -2.004 6.445 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -6.066 -3.852 6.193 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.998 -2.638 5.340 1.00 0.00 H new ATOM 0 HG LEU C 15 -5.298 -2.509 3.586 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -3.446 -4.097 3.449 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -3.279 -2.995 4.837 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.817 -4.673 5.092 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -5.674 -4.849 2.705 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -6.136 -5.372 4.342 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -7.149 -4.203 3.462 1.00 0.00 H new ATOM 197 N ILE C 16 -6.071 0.489 6.518 1.00 0.00 N ATOM 198 CA ILE C 16 -6.331 1.858 6.104 1.00 0.00 C ATOM 199 C ILE C 16 -5.452 2.757 6.977 1.00 0.00 C ATOM 200 O ILE C 16 -4.658 3.536 6.452 1.00 0.00 O ATOM 201 CB ILE C 16 -7.848 2.125 6.221 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.615 1.409 5.087 1.00 0.00 C ATOM 203 CG2 ILE C 16 -8.208 3.618 6.305 1.00 0.00 C ATOM 204 CD1 ILE C 16 -8.646 2.166 3.760 1.00 0.00 C ATOM 0 H ILE C 16 -6.352 0.321 7.484 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.075 2.061 5.064 1.00 0.00 H new ATOM 0 HB ILE C 16 -8.166 1.703 7.174 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.162 0.431 4.921 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -9.640 1.234 5.414 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.290 3.728 6.385 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.733 4.058 7.182 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.857 4.128 5.408 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -9.205 1.588 3.024 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.128 3.133 3.904 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -7.627 2.318 3.404 1.00 0.00 H new ATOM 216 N ARG C 17 -5.561 2.633 8.305 1.00 0.00 N ATOM 217 CA ARG C 17 -4.792 3.422 9.264 1.00 0.00 C ATOM 218 C ARG C 17 -3.301 3.152 9.110 1.00 0.00 C ATOM 219 O ARG C 17 -2.529 4.073 8.853 1.00 0.00 O ATOM 220 CB ARG C 17 -5.296 3.094 10.688 1.00 0.00 C ATOM 221 CG ARG C 17 -5.076 4.216 11.713 1.00 0.00 C ATOM 222 CD ARG C 17 -6.074 5.349 11.466 1.00 0.00 C ATOM 223 NE ARG C 17 -6.154 6.290 12.590 1.00 0.00 N ATOM 224 CZ ARG C 17 -7.091 7.236 12.725 1.00 0.00 C ATOM 225 NH1 ARG C 17 -8.033 7.393 11.798 1.00 0.00 N ATOM 226 NH2 ARG C 17 -7.070 8.026 13.787 1.00 0.00 N ATOM 0 H ARG C 17 -6.198 1.970 8.747 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.937 4.486 9.077 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -6.361 2.866 10.640 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -4.793 2.193 11.040 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -5.198 3.826 12.724 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -4.057 4.595 11.638 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.787 5.890 10.564 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -7.061 4.924 11.282 1.00 0.00 H new ATOM 0 HE ARG C 17 -5.445 6.218 13.320 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -8.045 6.789 10.976 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -8.743 8.117 11.910 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -6.344 7.911 14.494 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -7.780 8.750 13.898 1.00 0.00 H new ATOM 240 N PHE C 18 -2.896 1.893 9.264 1.00 0.00 N ATOM 241 CA PHE C 18 -1.501 1.510 9.151 1.00 0.00 C ATOM 242 C PHE C 18 -1.003 1.698 7.717 1.00 0.00 C ATOM 243 O PHE C 18 0.147 2.078 7.542 1.00 0.00 O ATOM 244 CB PHE C 18 -1.292 0.093 9.712 1.00 0.00 C ATOM 245 CG PHE C 18 -0.757 -0.938 8.741 1.00 0.00 C ATOM 246 CD1 PHE C 18 -1.587 -1.451 7.730 1.00 0.00 C ATOM 247 CD2 PHE C 18 0.579 -1.366 8.828 1.00 0.00 C ATOM 248 CE1 PHE C 18 -1.073 -2.354 6.790 1.00 0.00 C ATOM 249 CE2 PHE C 18 1.077 -2.315 7.921 1.00 0.00 C ATOM 250 CZ PHE C 18 0.253 -2.795 6.888 1.00 0.00 C ATOM 0 H PHE C 18 -3.526 1.118 9.469 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.884 2.169 9.762 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -0.606 0.157 10.557 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.245 -0.265 10.102 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -2.623 -1.149 7.677 1.00 0.00 H new ATOM 0 HD2 PHE C 18 1.224 -0.964 9.595 1.00 0.00 H new ATOM 0 HE1 PHE C 18 -1.701 -2.711 5.987 1.00 0.00 H new ATOM 0 HE2 PHE C 18 2.091 -2.675 8.017 1.00 0.00 H new ATOM 0 HZ PHE C 18 0.642 -3.503 6.171 1.00 0.00 H new ATOM 260 N TYR C 19 -1.860 1.525 6.701 1.00 0.00 N ATOM 261 CA TYR C 19 -1.481 1.694 5.297 1.00 0.00 C ATOM 262 C TYR C 19 -1.012 3.125 5.041 1.00 0.00 C ATOM 263 O TYR C 19 -0.112 3.347 4.224 1.00 0.00 O ATOM 264 CB TYR C 19 -2.672 1.342 4.396 1.00 0.00 C ATOM 265 CG TYR C 19 -2.522 1.716 2.930 1.00 0.00 C ATOM 266 CD1 TYR C 19 -2.818 3.025 2.492 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.102 0.750 2.000 1.00 0.00 C ATOM 268 CE1 TYR C 19 -2.641 3.385 1.144 1.00 0.00 C ATOM 269 CE2 TYR C 19 -1.941 1.094 0.649 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.183 2.417 0.218 1.00 0.00 C ATOM 271 OH TYR C 19 -1.973 2.733 -1.088 1.00 0.00 O ATOM 0 H TYR C 19 -2.837 1.263 6.833 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.655 1.022 5.065 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.849 0.269 4.462 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.560 1.836 4.789 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -3.183 3.756 3.198 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -1.903 -0.260 2.326 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -2.853 4.392 0.818 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -1.631 0.344 -0.064 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.048 2.518 -1.332 1.00 0.00 H new ATOM 281 N ASN C 20 -1.639 4.098 5.711 1.00 0.00 N ATOM 282 CA ASN C 20 -1.285 5.497 5.564 1.00 0.00 C ATOM 283 C ASN C 20 0.152 5.697 6.027 1.00 0.00 C ATOM 284 O ASN C 20 0.988 6.141 5.241 1.00 0.00 O ATOM 285 CB ASN C 20 -2.270 6.402 6.313 1.00 0.00 C ATOM 286 CG ASN C 20 -2.274 7.786 5.680 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.231 8.380 5.423 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.436 8.261 5.268 1.00 0.00 N ATOM 0 H ASN C 20 -2.402 3.929 6.366 1.00 0.00 H new ATOM 0 HA ASN C 20 -1.352 5.782 4.514 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -3.271 5.973 6.280 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.988 6.472 7.364 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.471 9.128 4.732 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -4.298 7.761 5.486 1.00 0.00 H new ATOM 295 N ASP C 21 0.460 5.298 7.265 1.00 0.00 N ATOM 296 CA ASP C 21 1.812 5.430 7.825 1.00 0.00 C ATOM 297 C ASP C 21 2.840 4.554 7.100 1.00 0.00 C ATOM 298 O ASP C 21 3.968 5.002 6.877 1.00 0.00 O ATOM 299 CB ASP C 21 1.830 5.133 9.335 1.00 0.00 C ATOM 300 CG ASP C 21 1.591 6.365 10.215 1.00 0.00 C ATOM 301 OD1 ASP C 21 1.890 7.511 9.792 1.00 0.00 O ATOM 302 OD2 ASP C 21 1.334 6.159 11.424 1.00 0.00 O ATOM 0 H ASP C 21 -0.214 4.877 7.904 1.00 0.00 H new ATOM 0 HA ASP C 21 2.101 6.469 7.670 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.067 4.387 9.557 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.792 4.693 9.597 1.00 0.00 H new ATOM 307 N LEU C 22 2.439 3.379 6.598 1.00 0.00 N ATOM 308 CA LEU C 22 3.299 2.447 5.880 1.00 0.00 C ATOM 309 C LEU C 22 3.810 3.059 4.567 1.00 0.00 C ATOM 310 O LEU C 22 4.649 2.460 3.896 1.00 0.00 O ATOM 311 CB LEU C 22 2.559 1.103 5.694 1.00 0.00 C ATOM 312 CG LEU C 22 3.407 -0.024 5.071 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.591 -0.430 5.950 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.591 -1.282 4.790 1.00 0.00 C ATOM 0 H LEU C 22 1.479 3.047 6.686 1.00 0.00 H new ATOM 0 HA LEU C 22 4.195 2.242 6.467 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.194 0.769 6.665 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.685 1.270 5.065 1.00 0.00 H new ATOM 0 HG LEU C 22 3.773 0.399 4.135 1.00 0.00 H new ATOM 0 HD11 LEU C 22 5.151 -1.227 5.461 1.00 0.00 H new ATOM 0 HD12 LEU C 22 5.242 0.430 6.103 1.00 0.00 H new ATOM 0 HD13 LEU C 22 4.224 -0.784 6.914 1.00 0.00 H new ATOM 0 HD21 LEU C 22 3.236 -2.044 4.352 1.00 0.00 H new ATOM 0 HD22 LEU C 22 2.168 -1.657 5.722 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.785 -1.045 4.095 1.00 0.00 H new ATOM 326 N GLN C 23 3.340 4.241 4.153 1.00 0.00 N ATOM 327 CA GLN C 23 3.812 4.896 2.938 1.00 0.00 C ATOM 328 C GLN C 23 5.341 5.060 2.989 1.00 0.00 C ATOM 329 O GLN C 23 6.028 4.929 1.976 1.00 0.00 O ATOM 330 CB GLN C 23 3.090 6.243 2.768 1.00 0.00 C ATOM 331 CG GLN C 23 3.491 7.350 3.767 1.00 0.00 C ATOM 332 CD GLN C 23 2.570 8.571 3.704 1.00 0.00 C ATOM 333 OE1 GLN C 23 2.223 9.181 4.714 1.00 0.00 O ATOM 334 NE2 GLN C 23 2.224 9.028 2.513 1.00 0.00 N ATOM 0 H GLN C 23 2.623 4.766 4.653 1.00 0.00 H new ATOM 0 HA GLN C 23 3.581 4.281 2.068 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.274 6.608 1.757 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.017 6.072 2.855 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.477 6.943 4.778 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.515 7.663 3.563 1.00 0.00 H new ATOM 0 HE21 GLN C 23 2.509 8.526 1.672 1.00 0.00 H new ATOM 0 HE22 GLN C 23 1.672 9.882 2.435 1.00 0.00 H new ATOM 343 N GLN C 24 5.894 5.219 4.195 1.00 0.00 N ATOM 344 CA GLN C 24 7.319 5.390 4.405 1.00 0.00 C ATOM 345 C GLN C 24 8.128 4.116 4.118 1.00 0.00 C ATOM 346 O GLN C 24 9.324 4.223 3.857 1.00 0.00 O ATOM 347 CB GLN C 24 7.549 5.921 5.827 1.00 0.00 C ATOM 348 CG GLN C 24 8.729 6.900 5.853 1.00 0.00 C ATOM 349 CD GLN C 24 8.735 7.710 7.142 1.00 0.00 C ATOM 350 OE1 GLN C 24 7.887 8.579 7.337 1.00 0.00 O ATOM 351 NE2 GLN C 24 9.647 7.427 8.053 1.00 0.00 N ATOM 0 H GLN C 24 5.351 5.231 5.058 1.00 0.00 H new ATOM 0 HA GLN C 24 7.690 6.119 3.684 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.648 6.419 6.185 1.00 0.00 H new ATOM 0 HB3 GLN C 24 7.744 5.090 6.504 1.00 0.00 H new ATOM 0 HG2 GLN C 24 9.665 6.350 5.760 1.00 0.00 H new ATOM 0 HG3 GLN C 24 8.668 7.572 4.997 1.00 0.00 H new ATOM 0 HE21 GLN C 24 10.342 6.702 7.871 1.00 0.00 H new ATOM 0 HE22 GLN C 24 9.657 7.933 8.939 1.00 0.00 H new ATOM 360 N TYR C 25 7.534 2.917 4.173 1.00 0.00 N ATOM 361 CA TYR C 25 8.261 1.677 3.883 1.00 0.00 C ATOM 362 C TYR C 25 8.725 1.704 2.423 1.00 0.00 C ATOM 363 O TYR C 25 9.873 1.352 2.135 1.00 0.00 O ATOM 364 CB TYR C 25 7.394 0.446 4.185 1.00 0.00 C ATOM 365 CG TYR C 25 7.706 -0.790 3.359 1.00 0.00 C ATOM 366 CD1 TYR C 25 8.980 -1.387 3.409 1.00 0.00 C ATOM 367 CD2 TYR C 25 6.718 -1.322 2.507 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.284 -2.472 2.566 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.008 -2.421 1.682 1.00 0.00 C ATOM 370 CZ TYR C 25 8.308 -2.978 1.678 1.00 0.00 C ATOM 371 OH TYR C 25 8.623 -3.992 0.829 1.00 0.00 O ATOM 0 H TYR C 25 6.553 2.781 4.416 1.00 0.00 H new ATOM 0 HA TYR C 25 9.136 1.606 4.528 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.505 0.195 5.240 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.349 0.712 4.029 1.00 0.00 H new ATOM 0 HD1 TYR C 25 9.725 -1.012 4.095 1.00 0.00 H new ATOM 0 HD2 TYR C 25 5.732 -0.882 2.488 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.266 -2.919 2.598 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.239 -2.841 1.051 1.00 0.00 H new ATOM 0 HH TYR C 25 7.839 -4.221 0.288 1.00 0.00 H new ATOM 381 N LEU C 26 7.858 2.171 1.517 1.00 0.00 N ATOM 382 CA LEU C 26 8.164 2.277 0.097 1.00 0.00 C ATOM 383 C LEU C 26 9.358 3.216 -0.064 1.00 0.00 C ATOM 384 O LEU C 26 10.290 2.932 -0.821 1.00 0.00 O ATOM 385 CB LEU C 26 6.943 2.786 -0.687 1.00 0.00 C ATOM 386 CG LEU C 26 5.798 1.775 -0.918 1.00 0.00 C ATOM 387 CD1 LEU C 26 6.255 0.372 -1.354 1.00 0.00 C ATOM 388 CD2 LEU C 26 4.905 1.642 0.321 1.00 0.00 C ATOM 0 H LEU C 26 6.918 2.487 1.757 1.00 0.00 H new ATOM 0 HA LEU C 26 8.414 1.296 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.535 3.648 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.286 3.140 -1.659 1.00 0.00 H new ATOM 0 HG LEU C 26 5.236 2.200 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.384 -0.268 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU C 26 6.805 0.444 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU C 26 6.901 -0.055 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU C 26 4.111 0.923 0.122 1.00 0.00 H new ATOM 0 HD22 LEU C 26 5.503 1.298 1.165 1.00 0.00 H new ATOM 0 HD23 LEU C 26 4.466 2.611 0.559 1.00 0.00 H new ATOM 400 N ASN C 27 9.391 4.293 0.726 1.00 0.00 N ATOM 401 CA ASN C 27 10.476 5.264 0.708 1.00 0.00 C ATOM 402 C ASN C 27 11.787 4.631 1.176 1.00 0.00 C ATOM 403 O ASN C 27 12.840 4.981 0.657 1.00 0.00 O ATOM 404 CB ASN C 27 10.134 6.493 1.566 1.00 0.00 C ATOM 405 CG ASN C 27 9.617 7.646 0.724 1.00 0.00 C ATOM 406 OD1 ASN C 27 10.073 7.884 -0.386 1.00 0.00 O ATOM 407 ND2 ASN C 27 8.711 8.444 1.247 1.00 0.00 N ATOM 0 H ASN C 27 8.657 4.512 1.400 1.00 0.00 H new ATOM 0 HA ASN C 27 10.606 5.595 -0.322 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.383 6.220 2.308 1.00 0.00 H new ATOM 0 HB3 ASN C 27 11.021 6.812 2.113 1.00 0.00 H new ATOM 0 HD21 ASN C 27 8.389 9.260 0.727 1.00 0.00 H new ATOM 0 HD22 ASN C 27 8.330 8.246 2.172 1.00 0.00 H new ATOM 414 N VAL C 28 11.762 3.656 2.082 1.00 0.00 N ATOM 415 CA VAL C 28 12.982 3.014 2.557 1.00 0.00 C ATOM 416 C VAL C 28 13.523 2.005 1.533 1.00 0.00 C ATOM 417 O VAL C 28 14.710 2.052 1.201 1.00 0.00 O ATOM 418 CB VAL C 28 12.723 2.353 3.928 1.00 0.00 C ATOM 419 CG1 VAL C 28 13.916 1.505 4.393 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.446 3.401 5.016 1.00 0.00 C ATOM 0 H VAL C 28 10.906 3.293 2.502 1.00 0.00 H new ATOM 0 HA VAL C 28 13.752 3.775 2.680 1.00 0.00 H new ATOM 0 HB VAL C 28 11.850 1.715 3.787 1.00 0.00 H new ATOM 0 HG11 VAL C 28 13.690 1.059 5.362 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.107 0.716 3.666 1.00 0.00 H new ATOM 0 HG13 VAL C 28 14.799 2.137 4.482 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.268 2.900 5.967 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.306 4.064 5.110 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.567 3.985 4.744 1.00 0.00 H new ATOM 430 N VAL C 29 12.688 1.113 0.987 1.00 0.00 N ATOM 431 CA VAL C 29 13.144 0.084 0.045 1.00 0.00 C ATOM 432 C VAL C 29 13.868 0.629 -1.196 1.00 0.00 C ATOM 433 O VAL C 29 14.923 0.093 -1.552 1.00 0.00 O ATOM 434 CB VAL C 29 12.029 -0.944 -0.194 1.00 0.00 C ATOM 435 CG1 VAL C 29 10.844 -0.430 -1.003 1.00 0.00 C ATOM 436 CG2 VAL C 29 12.579 -2.248 -0.784 1.00 0.00 C ATOM 0 H VAL C 29 11.687 1.083 1.183 1.00 0.00 H new ATOM 0 HA VAL C 29 13.959 -0.472 0.508 1.00 0.00 H new ATOM 0 HB VAL C 29 11.627 -1.148 0.799 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.110 -1.227 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL C 29 10.387 0.412 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL C 29 11.187 -0.107 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL C 29 11.760 -2.951 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL C 29 13.064 -2.040 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL C 29 13.304 -2.682 -0.095 1.00 0.00 H new ATOM 446 N THR C 30 13.383 1.720 -1.798 1.00 0.00 N ATOM 447 CA THR C 30 14.051 2.333 -2.963 1.00 0.00 C ATOM 448 C THR C 30 14.758 3.647 -2.603 1.00 0.00 C ATOM 449 O THR C 30 15.396 4.252 -3.465 1.00 0.00 O ATOM 450 CB THR C 30 13.283 2.254 -4.308 1.00 0.00 C ATOM 451 OG1 THR C 30 12.155 3.090 -4.424 1.00 0.00 O ATOM 452 CG2 THR C 30 12.825 0.829 -4.633 1.00 0.00 C ATOM 0 H THR C 30 12.533 2.200 -1.503 1.00 0.00 H new ATOM 0 HA THR C 30 14.876 1.672 -3.228 1.00 0.00 H new ATOM 0 HB THR C 30 14.031 2.608 -5.017 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.745 2.966 -5.306 1.00 0.00 H new ATOM 0 HG21 THR C 30 12.292 0.826 -5.584 1.00 0.00 H new ATOM 0 HG22 THR C 30 13.694 0.174 -4.702 1.00 0.00 H new ATOM 0 HG23 THR C 30 12.163 0.471 -3.845 1.00 0.00 H new ATOM 460 N ARG C 31 14.874 3.965 -1.307 1.00 0.00 N ATOM 461 CA ARG C 31 15.530 5.152 -0.758 1.00 0.00 C ATOM 462 C ARG C 31 15.006 6.452 -1.364 1.00 0.00 C ATOM 463 O ARG C 31 15.779 7.356 -1.669 1.00 0.00 O ATOM 464 CB ARG C 31 17.050 4.956 -0.827 1.00 0.00 C ATOM 465 CG ARG C 31 17.877 5.870 0.085 1.00 0.00 C ATOM 466 CD ARG C 31 19.217 5.166 0.307 1.00 0.00 C ATOM 467 NE ARG C 31 20.239 6.040 0.884 1.00 0.00 N ATOM 468 CZ ARG C 31 21.433 5.634 1.323 1.00 0.00 C ATOM 469 NH1 ARG C 31 21.763 4.345 1.301 1.00 0.00 N ATOM 470 NH2 ARG C 31 22.267 6.527 1.832 1.00 0.00 N ATOM 0 H ARG C 31 14.491 3.366 -0.576 1.00 0.00 H new ATOM 0 HA ARG C 31 15.273 5.265 0.295 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.277 3.920 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.372 5.112 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG C 31 18.024 6.847 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.365 6.038 1.033 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.066 4.311 0.965 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.577 4.776 -0.645 1.00 0.00 H new ATOM 0 HE ARG C 31 20.023 7.034 0.956 1.00 0.00 H new ATOM 0 HH11 ARG C 31 21.101 3.655 0.946 1.00 0.00 H new ATOM 0 HH12 ARG C 31 22.678 4.047 1.639 1.00 0.00 H new ATOM 0 HH21 ARG C 31 21.994 7.508 1.884 1.00 0.00 H new ATOM 0 HH22 ARG C 31 23.183 6.234 2.172 1.00 0.00 H new ATOM 484 N HIS C 32 13.686 6.577 -1.463 1.00 0.00 N ATOM 485 CA HIS C 32 12.949 7.726 -1.986 1.00 0.00 C ATOM 486 C HIS C 32 13.294 7.983 -3.459 1.00 0.00 C ATOM 487 O HIS C 32 13.068 9.088 -3.961 1.00 0.00 O ATOM 488 CB HIS C 32 13.178 8.941 -1.049 1.00 0.00 C ATOM 489 CG HIS C 32 12.182 10.086 -1.070 1.00 0.00 C ATOM 490 ND1 HIS C 32 12.223 11.167 -0.214 1.00 0.00 N ATOM 491 CD2 HIS C 32 11.069 10.238 -1.858 1.00 0.00 C ATOM 492 CE1 HIS C 32 11.158 11.941 -0.459 1.00 0.00 C ATOM 493 NE2 HIS C 32 10.431 11.428 -1.469 1.00 0.00 N ATOM 0 H HIS C 32 13.061 5.830 -1.161 1.00 0.00 H new ATOM 0 HA HIS C 32 11.878 7.525 -1.988 1.00 0.00 H new ATOM 0 HB2 HIS C 32 13.224 8.564 -0.027 1.00 0.00 H new ATOM 0 HB3 HIS C 32 14.159 9.355 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS C 32 10.742 9.565 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS C 32 10.917 12.847 0.077 1.00 0.00 H new ATOM 0 HE2 HIS C 32 9.583 11.825 -1.873 1.00 0.00 H new ATOM 501 N ARG C 33 13.781 6.970 -4.196 1.00 0.00 N ATOM 502 CA ARG C 33 14.145 7.146 -5.602 1.00 0.00 C ATOM 503 C ARG C 33 12.982 7.590 -6.496 1.00 0.00 C ATOM 504 O ARG C 33 13.216 8.240 -7.517 1.00 0.00 O ATOM 505 CB ARG C 33 14.842 5.873 -6.113 1.00 0.00 C ATOM 506 CG ARG C 33 15.278 6.048 -7.565 1.00 0.00 C ATOM 507 CD ARG C 33 16.208 4.965 -8.085 1.00 0.00 C ATOM 508 NE ARG C 33 16.584 5.292 -9.463 1.00 0.00 N ATOM 509 CZ ARG C 33 17.041 4.447 -10.387 1.00 0.00 C ATOM 510 NH1 ARG C 33 17.100 3.140 -10.155 1.00 0.00 N ATOM 511 NH2 ARG C 33 17.454 4.943 -11.541 1.00 0.00 N ATOM 0 H ARG C 33 13.929 6.026 -3.838 1.00 0.00 H new ATOM 0 HA ARG C 33 14.847 7.978 -5.660 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.709 5.652 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.165 5.023 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG C 33 14.389 6.078 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.774 7.013 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG C 33 17.096 4.896 -7.457 1.00 0.00 H new ATOM 0 HD3 ARG C 33 15.715 3.994 -8.048 1.00 0.00 H new ATOM 0 HE ARG C 33 16.486 6.268 -9.744 1.00 0.00 H new ATOM 0 HH11 ARG C 33 16.792 2.767 -9.257 1.00 0.00 H new ATOM 0 HH12 ARG C 33 17.453 2.510 -10.875 1.00 0.00 H new ATOM 0 HH21 ARG C 33 17.418 5.949 -11.706 1.00 0.00 H new ATOM 0 HH22 ARG C 33 17.809 4.320 -12.266 1.00 0.00 H new ATOM 525 N TYR C 34 11.746 7.258 -6.130 1.00 0.00 N ATOM 526 CA TYR C 34 10.565 7.629 -6.899 1.00 0.00 C ATOM 527 C TYR C 34 10.154 9.085 -6.653 1.00 0.00 C ATOM 528 O TYR C 34 9.312 9.622 -7.369 1.00 0.00 O ATOM 529 CB TYR C 34 9.429 6.641 -6.616 1.00 0.00 C ATOM 530 CG TYR C 34 8.903 6.601 -5.193 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.565 5.841 -4.209 1.00 0.00 C ATOM 532 CD2 TYR C 34 7.684 7.229 -4.876 1.00 0.00 C ATOM 533 CE1 TYR C 34 9.014 5.721 -2.921 1.00 0.00 C ATOM 534 CE2 TYR C 34 7.134 7.104 -3.593 1.00 0.00 C ATOM 535 CZ TYR C 34 7.790 6.340 -2.607 1.00 0.00 C ATOM 536 OH TYR C 34 7.236 6.160 -1.378 1.00 0.00 O ATOM 0 H TYR C 34 11.537 6.722 -5.288 1.00 0.00 H new ATOM 0 HA TYR C 34 10.807 7.568 -7.960 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.598 6.878 -7.280 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.773 5.641 -6.880 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.497 5.350 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR C 34 7.169 7.811 -5.626 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.534 5.149 -2.167 1.00 0.00 H new ATOM 0 HE2 TYR C 34 6.202 7.596 -3.358 1.00 0.00 H new ATOM 0 HH TYR C 34 6.393 6.656 -1.323 1.00 0.00 H new ATOM 670 N PRO D 11 7.292 -7.515 -8.383 1.00 0.00 N ATOM 671 CA PRO D 11 8.544 -6.811 -8.142 1.00 0.00 C ATOM 672 C PRO D 11 8.288 -5.456 -7.479 1.00 0.00 C ATOM 673 O PRO D 11 7.366 -4.731 -7.869 1.00 0.00 O ATOM 674 CB PRO D 11 9.205 -6.655 -9.518 1.00 0.00 C ATOM 675 CG PRO D 11 8.024 -6.704 -10.485 1.00 0.00 C ATOM 676 CD PRO D 11 7.082 -7.695 -9.810 1.00 0.00 C ATOM 0 HA PRO D 11 9.192 -7.359 -7.458 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.751 -5.715 -9.597 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.919 -7.455 -9.714 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.561 -5.725 -10.609 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.326 -7.042 -11.476 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.045 -7.499 -10.082 1.00 0.00 H new ATOM 0 HD3 PRO D 11 7.304 -8.718 -10.114 1.00 0.00 H new ATOM 684 N VAL D 12 9.158 -5.087 -6.537 1.00 0.00 N ATOM 685 CA VAL D 12 9.095 -3.833 -5.792 1.00 0.00 C ATOM 686 C VAL D 12 9.111 -2.637 -6.745 1.00 0.00 C ATOM 687 O VAL D 12 8.484 -1.631 -6.440 1.00 0.00 O ATOM 688 CB VAL D 12 10.257 -3.767 -4.777 1.00 0.00 C ATOM 689 CG1 VAL D 12 10.291 -2.452 -3.981 1.00 0.00 C ATOM 690 CG2 VAL D 12 10.177 -4.910 -3.754 1.00 0.00 C ATOM 0 H VAL D 12 9.948 -5.671 -6.265 1.00 0.00 H new ATOM 0 HA VAL D 12 8.157 -3.793 -5.238 1.00 0.00 H new ATOM 0 HB VAL D 12 11.159 -3.846 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.130 -2.469 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL D 12 10.406 -1.614 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL D 12 9.361 -2.340 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL D 12 11.010 -4.832 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL D 12 9.237 -4.843 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL D 12 10.227 -5.867 -4.273 1.00 0.00 H new ATOM 700 N GLU D 13 9.747 -2.733 -7.919 1.00 0.00 N ATOM 701 CA GLU D 13 9.785 -1.606 -8.845 1.00 0.00 C ATOM 702 C GLU D 13 8.378 -1.193 -9.273 1.00 0.00 C ATOM 703 O GLU D 13 8.134 -0.015 -9.545 1.00 0.00 O ATOM 704 CB GLU D 13 10.651 -1.936 -10.069 1.00 0.00 C ATOM 705 CG GLU D 13 11.249 -0.649 -10.650 1.00 0.00 C ATOM 706 CD GLU D 13 12.275 -0.046 -9.688 1.00 0.00 C ATOM 707 OE1 GLU D 13 13.292 -0.736 -9.419 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.025 1.040 -9.111 1.00 0.00 O ATOM 0 H GLU D 13 10.234 -3.569 -8.243 1.00 0.00 H new ATOM 0 HA GLU D 13 10.236 -0.762 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.449 -2.622 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.050 -2.441 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU D 13 11.723 -0.863 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.455 0.073 -10.841 1.00 0.00 H new ATOM 715 N ASP D 14 7.501 -2.175 -9.483 1.00 0.00 N ATOM 716 CA ASP D 14 6.124 -1.895 -9.858 1.00 0.00 C ATOM 717 C ASP D 14 5.356 -1.550 -8.591 1.00 0.00 C ATOM 718 O ASP D 14 4.587 -0.595 -8.579 1.00 0.00 O ATOM 719 CB ASP D 14 5.471 -3.080 -10.557 1.00 0.00 C ATOM 720 CG ASP D 14 4.163 -2.610 -11.190 1.00 0.00 C ATOM 721 OD1 ASP D 14 4.263 -1.798 -12.140 1.00 0.00 O ATOM 722 OD2 ASP D 14 3.119 -3.228 -10.909 1.00 0.00 O ATOM 0 H ASP D 14 7.723 -3.167 -9.399 1.00 0.00 H new ATOM 0 HA ASP D 14 6.109 -1.064 -10.564 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.137 -3.484 -11.320 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.280 -3.882 -9.844 1.00 0.00 H new ATOM 727 N LEU D 15 5.687 -2.214 -7.477 1.00 0.00 N ATOM 728 CA LEU D 15 5.078 -2.017 -6.165 1.00 0.00 C ATOM 729 C LEU D 15 5.390 -0.656 -5.515 1.00 0.00 C ATOM 730 O LEU D 15 5.137 -0.474 -4.328 1.00 0.00 O ATOM 731 CB LEU D 15 5.409 -3.194 -5.232 1.00 0.00 C ATOM 732 CG LEU D 15 4.139 -3.640 -4.488 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.260 -4.522 -5.380 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.514 -4.416 -3.230 1.00 0.00 C ATOM 0 H LEU D 15 6.414 -2.929 -7.469 1.00 0.00 H new ATOM 0 HA LEU D 15 4.001 -1.996 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.814 -4.025 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.176 -2.899 -4.516 1.00 0.00 H new ATOM 0 HG LEU D 15 3.579 -2.745 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.369 -4.823 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.966 -3.963 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.819 -5.409 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU D 15 3.608 -4.727 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU D 15 5.095 -5.296 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.108 -3.780 -2.574 1.00 0.00 H new ATOM 746 N ILE D 16 5.970 0.271 -6.273 1.00 0.00 N ATOM 747 CA ILE D 16 6.325 1.635 -5.913 1.00 0.00 C ATOM 748 C ILE D 16 5.407 2.508 -6.775 1.00 0.00 C ATOM 749 O ILE D 16 4.607 3.292 -6.259 1.00 0.00 O ATOM 750 CB ILE D 16 7.833 1.881 -6.186 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.739 1.220 -5.121 1.00 0.00 C ATOM 752 CG2 ILE D 16 8.167 3.377 -6.333 1.00 0.00 C ATOM 753 CD1 ILE D 16 8.847 1.982 -3.801 1.00 0.00 C ATOM 0 H ILE D 16 6.225 0.065 -7.239 1.00 0.00 H new ATOM 0 HA ILE D 16 6.187 1.860 -4.855 1.00 0.00 H new ATOM 0 HB ILE D 16 8.043 1.402 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.361 0.219 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE D 16 9.739 1.103 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE D 16 9.234 3.495 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.602 3.796 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.902 3.901 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE D 16 9.503 1.439 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.257 2.975 -3.986 1.00 0.00 H new ATOM 0 HD13 ILE D 16 7.858 2.076 -3.353 1.00 0.00 H new ATOM 765 N ARG D 17 5.492 2.325 -8.099 1.00 0.00 N ATOM 766 CA ARG D 17 4.723 3.043 -9.104 1.00 0.00 C ATOM 767 C ARG D 17 3.230 2.783 -8.952 1.00 0.00 C ATOM 768 O ARG D 17 2.475 3.731 -8.734 1.00 0.00 O ATOM 769 CB ARG D 17 5.222 2.614 -10.496 1.00 0.00 C ATOM 770 CG ARG D 17 4.773 3.564 -11.606 1.00 0.00 C ATOM 771 CD ARG D 17 5.722 4.751 -11.692 1.00 0.00 C ATOM 772 NE ARG D 17 5.475 5.499 -12.924 1.00 0.00 N ATOM 773 CZ ARG D 17 6.330 5.683 -13.934 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.614 5.343 -13.834 1.00 0.00 N ATOM 775 NH2 ARG D 17 5.870 6.197 -15.064 1.00 0.00 N ATOM 0 H ARG D 17 6.128 1.641 -8.509 1.00 0.00 H new ATOM 0 HA ARG D 17 4.868 4.116 -8.975 1.00 0.00 H new ATOM 0 HB2 ARG D 17 6.311 2.563 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG D 17 4.857 1.610 -10.714 1.00 0.00 H new ATOM 0 HG2 ARG D 17 4.750 3.037 -12.560 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.759 3.912 -11.410 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.584 5.401 -10.828 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.755 4.404 -11.668 1.00 0.00 H new ATOM 0 HE ARG D 17 4.553 5.925 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.967 4.931 -12.970 1.00 0.00 H new ATOM 0 HH12 ARG D 17 8.245 5.495 -14.621 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.884 6.442 -15.148 1.00 0.00 H new ATOM 0 HH22 ARG D 17 6.502 6.348 -15.850 1.00 0.00 H new ATOM 789 N PHE D 18 2.826 1.520 -9.081 1.00 0.00 N ATOM 790 CA PHE D 18 1.451 1.067 -8.979 1.00 0.00 C ATOM 791 C PHE D 18 0.923 1.334 -7.573 1.00 0.00 C ATOM 792 O PHE D 18 -0.225 1.742 -7.447 1.00 0.00 O ATOM 793 CB PHE D 18 1.347 -0.412 -9.425 1.00 0.00 C ATOM 794 CG PHE D 18 0.586 -1.377 -8.527 1.00 0.00 C ATOM 795 CD1 PHE D 18 1.112 -1.771 -7.281 1.00 0.00 C ATOM 796 CD2 PHE D 18 -0.620 -1.947 -8.970 1.00 0.00 C ATOM 797 CE1 PHE D 18 0.410 -2.670 -6.460 1.00 0.00 C ATOM 798 CE2 PHE D 18 -1.294 -2.890 -8.178 1.00 0.00 C ATOM 799 CZ PHE D 18 -0.791 -3.239 -6.913 1.00 0.00 C ATOM 0 H PHE D 18 3.479 0.758 -9.267 1.00 0.00 H new ATOM 0 HA PHE D 18 0.809 1.630 -9.656 1.00 0.00 H new ATOM 0 HB2 PHE D 18 0.879 -0.432 -10.409 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.360 -0.796 -9.546 1.00 0.00 H new ATOM 0 HD1 PHE D 18 2.063 -1.379 -6.954 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -1.031 -1.658 -9.926 1.00 0.00 H new ATOM 0 HE1 PHE D 18 0.794 -2.923 -5.483 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -2.202 -3.349 -8.542 1.00 0.00 H new ATOM 0 HZ PHE D 18 -1.326 -3.942 -6.292 1.00 0.00 H new ATOM 809 N TYR D 19 1.757 1.199 -6.531 1.00 0.00 N ATOM 810 CA TYR D 19 1.347 1.440 -5.148 1.00 0.00 C ATOM 811 C TYR D 19 0.909 2.893 -4.978 1.00 0.00 C ATOM 812 O TYR D 19 -0.089 3.174 -4.315 1.00 0.00 O ATOM 813 CB TYR D 19 2.488 1.112 -4.175 1.00 0.00 C ATOM 814 CG TYR D 19 2.272 1.692 -2.789 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.719 2.995 -2.503 1.00 0.00 C ATOM 816 CD2 TYR D 19 1.533 0.987 -1.827 1.00 0.00 C ATOM 817 CE1 TYR D 19 2.421 3.618 -1.282 1.00 0.00 C ATOM 818 CE2 TYR D 19 1.238 1.592 -0.595 1.00 0.00 C ATOM 819 CZ TYR D 19 1.659 2.914 -0.322 1.00 0.00 C ATOM 820 OH TYR D 19 1.343 3.477 0.878 1.00 0.00 O ATOM 0 H TYR D 19 2.733 0.920 -6.628 1.00 0.00 H new ATOM 0 HA TYR D 19 0.506 0.786 -4.919 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.592 0.030 -4.098 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.425 1.494 -4.581 1.00 0.00 H new ATOM 0 HD1 TYR D 19 3.304 3.527 -3.239 1.00 0.00 H new ATOM 0 HD2 TYR D 19 1.193 -0.017 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR D 19 2.768 4.620 -1.079 1.00 0.00 H new ATOM 0 HE2 TYR D 19 0.684 1.042 0.152 1.00 0.00 H new ATOM 0 HH TYR D 19 0.814 2.844 1.407 1.00 0.00 H new ATOM 830 N ASN D 20 1.657 3.819 -5.583 1.00 0.00 N ATOM 831 CA ASN D 20 1.352 5.236 -5.505 1.00 0.00 C ATOM 832 C ASN D 20 -0.063 5.474 -6.017 1.00 0.00 C ATOM 833 O ASN D 20 -0.862 6.089 -5.319 1.00 0.00 O ATOM 834 CB ASN D 20 2.399 6.027 -6.301 1.00 0.00 C ATOM 835 CG ASN D 20 2.437 7.506 -5.951 1.00 0.00 C ATOM 836 OD1 ASN D 20 1.582 8.017 -5.234 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.529 8.174 -6.279 1.00 0.00 N ATOM 0 H ASN D 20 2.486 3.602 -6.136 1.00 0.00 H new ATOM 0 HA ASN D 20 1.393 5.582 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN D 20 3.383 5.594 -6.122 1.00 0.00 H new ATOM 0 HB3 ASN D 20 2.192 5.919 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.668 9.124 -5.936 1.00 0.00 H new ATOM 0 HD22 ASN D 20 4.233 7.739 -6.876 1.00 0.00 H new ATOM 844 N ASP D 21 -0.427 4.895 -7.164 1.00 0.00 N ATOM 845 CA ASP D 21 -1.772 5.058 -7.721 1.00 0.00 C ATOM 846 C ASP D 21 -2.811 4.202 -6.975 1.00 0.00 C ATOM 847 O ASP D 21 -3.977 4.607 -6.889 1.00 0.00 O ATOM 848 CB ASP D 21 -1.779 4.763 -9.223 1.00 0.00 C ATOM 849 CG ASP D 21 -1.167 5.924 -10.004 1.00 0.00 C ATOM 850 OD1 ASP D 21 0.074 5.955 -10.158 1.00 0.00 O ATOM 851 OD2 ASP D 21 -1.888 6.878 -10.369 1.00 0.00 O ATOM 0 H ASP D 21 0.191 4.309 -7.725 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.061 6.100 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.219 3.849 -9.422 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.801 4.590 -9.560 1.00 0.00 H new ATOM 856 N LEU D 22 -2.396 3.101 -6.329 1.00 0.00 N ATOM 857 CA LEU D 22 -3.227 2.177 -5.555 1.00 0.00 C ATOM 858 C LEU D 22 -3.853 2.889 -4.353 1.00 0.00 C ATOM 859 O LEU D 22 -4.854 2.416 -3.820 1.00 0.00 O ATOM 860 CB LEU D 22 -2.384 0.963 -5.111 1.00 0.00 C ATOM 861 CG LEU D 22 -3.168 -0.178 -4.448 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.044 -0.937 -5.454 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.204 -1.167 -3.782 1.00 0.00 C ATOM 0 H LEU D 22 -1.416 2.820 -6.336 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.042 1.819 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -1.864 0.565 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.620 1.308 -4.415 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.819 0.276 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.580 -1.735 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.760 -0.250 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.414 -1.366 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.773 -1.971 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.534 -1.585 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.618 -0.649 -3.023 1.00 0.00 H new ATOM 875 N GLN D 23 -3.364 4.082 -3.999 1.00 0.00 N ATOM 876 CA GLN D 23 -3.871 4.902 -2.908 1.00 0.00 C ATOM 877 C GLN D 23 -5.390 5.111 -3.045 1.00 0.00 C ATOM 878 O GLN D 23 -6.101 5.293 -2.058 1.00 0.00 O ATOM 879 CB GLN D 23 -3.114 6.247 -2.925 1.00 0.00 C ATOM 880 CG GLN D 23 -3.495 7.156 -4.119 1.00 0.00 C ATOM 881 CD GLN D 23 -2.777 8.498 -4.102 1.00 0.00 C ATOM 882 OE1 GLN D 23 -3.439 9.532 -4.075 1.00 0.00 O ATOM 883 NE2 GLN D 23 -1.461 8.517 -4.108 1.00 0.00 N ATOM 0 H GLN D 23 -2.577 4.513 -4.485 1.00 0.00 H new ATOM 0 HA GLN D 23 -3.705 4.403 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.314 6.779 -1.995 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.042 6.051 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.263 6.639 -5.050 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -4.572 7.327 -4.109 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -0.938 7.641 -4.131 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -0.964 9.407 -4.090 1.00 0.00 H new ATOM 892 N GLN D 24 -5.885 5.125 -4.282 1.00 0.00 N ATOM 893 CA GLN D 24 -7.280 5.317 -4.623 1.00 0.00 C ATOM 894 C GLN D 24 -8.109 4.072 -4.300 1.00 0.00 C ATOM 895 O GLN D 24 -9.242 4.218 -3.855 1.00 0.00 O ATOM 896 CB GLN D 24 -7.308 5.716 -6.097 1.00 0.00 C ATOM 897 CG GLN D 24 -8.661 6.187 -6.635 1.00 0.00 C ATOM 898 CD GLN D 24 -8.535 6.691 -8.077 1.00 0.00 C ATOM 899 OE1 GLN D 24 -7.445 6.978 -8.573 1.00 0.00 O ATOM 900 NE2 GLN D 24 -9.640 6.964 -8.744 1.00 0.00 N ATOM 0 H GLN D 24 -5.294 4.997 -5.103 1.00 0.00 H new ATOM 0 HA GLN D 24 -7.743 6.104 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -6.580 6.512 -6.252 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -6.979 4.863 -6.691 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -9.378 5.367 -6.594 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -9.051 6.983 -6.001 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -10.548 6.731 -8.343 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -9.586 7.408 -9.661 1.00 0.00 H new ATOM 909 N TYR D 25 -7.569 2.857 -4.457 1.00 0.00 N ATOM 910 CA TYR D 25 -8.291 1.622 -4.152 1.00 0.00 C ATOM 911 C TYR D 25 -8.647 1.585 -2.658 1.00 0.00 C ATOM 912 O TYR D 25 -9.743 1.154 -2.295 1.00 0.00 O ATOM 913 CB TYR D 25 -7.481 0.387 -4.588 1.00 0.00 C ATOM 914 CG TYR D 25 -7.910 -0.897 -3.900 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.245 -1.334 -3.991 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.009 -1.569 -3.050 1.00 0.00 C ATOM 917 CE1 TYR D 25 -9.702 -2.382 -3.174 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.451 -2.638 -2.254 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.811 -3.027 -2.290 1.00 0.00 C ATOM 920 OH TYR D 25 -9.268 -4.000 -1.455 1.00 0.00 O ATOM 0 H TYR D 25 -6.620 2.706 -4.799 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.221 1.600 -4.720 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.579 0.261 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.425 0.564 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -9.920 -0.863 -4.690 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -5.975 -1.261 -3.011 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -10.735 -2.694 -3.223 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.755 -3.162 -1.616 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.526 -4.342 -0.914 1.00 0.00 H new ATOM 930 N LEU D 26 -7.760 2.064 -1.776 1.00 0.00 N ATOM 931 CA LEU D 26 -8.046 2.084 -0.341 1.00 0.00 C ATOM 932 C LEU D 26 -9.251 3.009 -0.091 1.00 0.00 C ATOM 933 O LEU D 26 -10.113 2.724 0.752 1.00 0.00 O ATOM 934 CB LEU D 26 -6.799 2.477 0.467 1.00 0.00 C ATOM 935 CG LEU D 26 -5.811 1.321 0.754 1.00 0.00 C ATOM 936 CD1 LEU D 26 -6.411 0.157 1.566 1.00 0.00 C ATOM 937 CD2 LEU D 26 -5.195 0.745 -0.527 1.00 0.00 C ATOM 0 H LEU D 26 -6.846 2.439 -2.031 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.311 1.085 0.006 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.269 3.262 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.120 2.904 1.417 1.00 0.00 H new ATOM 0 HG LEU D 26 -5.040 1.794 1.362 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.651 -0.608 1.721 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -6.756 0.527 2.532 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -7.252 -0.272 1.020 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -4.510 -0.063 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -5.986 0.359 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -4.651 1.529 -1.053 1.00 0.00 H new ATOM 949 N ASN D 27 -9.365 4.073 -0.890 1.00 0.00 N ATOM 950 CA ASN D 27 -10.465 5.022 -0.816 1.00 0.00 C ATOM 951 C ASN D 27 -11.733 4.305 -1.302 1.00 0.00 C ATOM 952 O ASN D 27 -12.741 4.353 -0.598 1.00 0.00 O ATOM 953 CB ASN D 27 -10.159 6.319 -1.607 1.00 0.00 C ATOM 954 CG ASN D 27 -9.973 7.537 -0.701 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.572 7.618 0.362 1.00 0.00 O ATOM 956 ND2 ASN D 27 -9.227 8.553 -1.119 1.00 0.00 N ATOM 0 H ASN D 27 -8.683 4.297 -1.615 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.615 5.353 0.212 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.257 6.173 -2.201 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -10.972 6.513 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -9.154 9.399 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -8.727 8.487 -2.005 1.00 0.00 H new ATOM 963 N VAL D 28 -11.665 3.513 -2.381 1.00 0.00 N ATOM 964 CA VAL D 28 -12.788 2.756 -2.945 1.00 0.00 C ATOM 965 C VAL D 28 -13.367 1.786 -1.906 1.00 0.00 C ATOM 966 O VAL D 28 -14.562 1.845 -1.602 1.00 0.00 O ATOM 967 CB VAL D 28 -12.351 1.977 -4.216 1.00 0.00 C ATOM 968 CG1 VAL D 28 -13.449 1.042 -4.746 1.00 0.00 C ATOM 969 CG2 VAL D 28 -11.932 2.874 -5.383 1.00 0.00 C ATOM 0 H VAL D 28 -10.798 3.378 -2.901 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.562 3.470 -3.226 1.00 0.00 H new ATOM 0 HB VAL D 28 -11.489 1.405 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -13.088 0.524 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -13.706 0.311 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -14.333 1.627 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -11.641 2.255 -6.232 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -12.768 3.513 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.088 3.494 -5.080 1.00 0.00 H new ATOM 979 N VAL D 29 -12.550 0.906 -1.313 1.00 0.00 N ATOM 980 CA VAL D 29 -13.045 -0.068 -0.338 1.00 0.00 C ATOM 981 C VAL D 29 -13.767 0.598 0.832 1.00 0.00 C ATOM 982 O VAL D 29 -14.825 0.118 1.252 1.00 0.00 O ATOM 983 CB VAL D 29 -11.939 -1.047 0.095 1.00 0.00 C ATOM 984 CG1 VAL D 29 -10.735 -0.406 0.782 1.00 0.00 C ATOM 985 CG2 VAL D 29 -12.502 -2.146 1.003 1.00 0.00 C ATOM 0 H VAL D 29 -11.547 0.850 -1.492 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.804 -0.673 -0.834 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.572 -1.464 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -10.014 -1.179 1.048 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -10.268 0.309 0.105 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -11.063 0.110 1.685 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.700 -2.824 1.294 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.937 -1.694 1.895 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -13.271 -2.703 0.467 1.00 0.00 H new ATOM 995 N THR D 30 -13.256 1.720 1.324 1.00 0.00 N ATOM 996 CA THR D 30 -13.888 2.426 2.434 1.00 0.00 C ATOM 997 C THR D 30 -14.891 3.485 1.986 1.00 0.00 C ATOM 998 O THR D 30 -15.525 4.094 2.848 1.00 0.00 O ATOM 999 CB THR D 30 -12.829 3.045 3.356 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.929 3.886 2.653 1.00 0.00 O ATOM 1001 CG2 THR D 30 -12.075 1.987 4.157 1.00 0.00 C ATOM 0 H THR D 30 -12.406 2.161 0.973 1.00 0.00 H new ATOM 0 HA THR D 30 -14.456 1.678 2.987 1.00 0.00 H new ATOM 0 HB THR D 30 -13.373 3.669 4.065 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.327 3.338 2.108 1.00 0.00 H new ATOM 0 HG21 THR D 30 -11.336 2.472 4.795 1.00 0.00 H new ATOM 0 HG22 THR D 30 -12.778 1.429 4.775 1.00 0.00 H new ATOM 0 HG23 THR D 30 -11.571 1.304 3.473 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.172 3.613 0.686 1.00 0.00 N ATOM 1010 CA ARG D 31 -16.064 4.635 0.126 1.00 0.00 C ATOM 1011 C ARG D 31 -15.662 5.972 0.779 1.00 0.00 C ATOM 1012 O ARG D 31 -16.491 6.719 1.302 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.550 4.233 0.240 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.445 5.093 -0.674 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.916 4.658 -0.701 1.00 0.00 C ATOM 1016 NE ARG D 31 -20.719 5.560 -1.547 1.00 0.00 N ATOM 1017 CZ ARG D 31 -21.919 5.301 -2.078 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -22.555 4.161 -1.823 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -22.495 6.187 -2.882 1.00 0.00 N ATOM 0 H ARG D 31 -14.777 2.995 -0.023 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.949 4.745 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.664 3.182 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.877 4.339 1.274 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -18.390 6.131 -0.345 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -18.049 5.059 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.990 3.638 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -20.316 4.653 0.313 1.00 0.00 H new ATOM 0 HE ARG D 31 -20.318 6.476 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -22.128 3.464 -1.212 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -23.470 3.983 -2.238 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -22.022 7.065 -3.095 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -23.410 5.989 -3.287 1.00 0.00 H new ATOM 1033 N HIS D 32 -14.351 6.225 0.767 1.00 0.00 N ATOM 1034 CA HIS D 32 -13.620 7.358 1.306 1.00 0.00 C ATOM 1035 C HIS D 32 -14.044 7.661 2.750 1.00 0.00 C ATOM 1036 O HIS D 32 -14.665 8.687 3.031 1.00 0.00 O ATOM 1037 CB HIS D 32 -13.662 8.541 0.317 1.00 0.00 C ATOM 1038 CG HIS D 32 -12.882 9.771 0.726 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -12.980 11.016 0.148 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -11.928 9.854 1.702 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -12.134 11.839 0.792 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -11.485 11.176 1.763 1.00 0.00 N ATOM 0 H HIS D 32 -13.711 5.562 0.329 1.00 0.00 H new ATOM 0 HA HIS D 32 -12.561 7.116 1.400 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -13.284 8.198 -0.646 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -14.703 8.828 0.167 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -11.578 9.039 2.318 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -11.996 12.885 0.561 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -10.803 11.562 2.416 1.00 0.00 H new ATOM 1050 N ARG D 33 -13.650 6.796 3.699 1.00 0.00 N ATOM 1051 CA ARG D 33 -13.991 6.966 5.123 1.00 0.00 C ATOM 1052 C ARG D 33 -12.868 7.584 5.962 1.00 0.00 C ATOM 1053 O ARG D 33 -13.155 8.090 7.045 1.00 0.00 O ATOM 1054 CB ARG D 33 -14.452 5.614 5.700 1.00 0.00 C ATOM 1055 CG ARG D 33 -15.152 5.720 7.061 1.00 0.00 C ATOM 1056 CD ARG D 33 -15.883 4.418 7.410 1.00 0.00 C ATOM 1057 NE ARG D 33 -16.606 4.565 8.677 1.00 0.00 N ATOM 1058 CZ ARG D 33 -17.392 3.669 9.279 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -17.637 2.473 8.747 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -17.960 3.997 10.431 1.00 0.00 N ATOM 0 H ARG D 33 -13.091 5.965 3.504 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.806 7.688 5.177 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -15.131 5.141 4.990 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -13.586 4.959 5.799 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -14.418 5.947 7.834 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -15.863 6.546 7.044 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.580 4.160 6.613 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -15.167 3.600 7.485 1.00 0.00 H new ATOM 0 HE ARG D 33 -16.495 5.459 9.156 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -17.219 2.217 7.852 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -18.243 1.812 9.234 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -17.793 4.917 10.839 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -18.565 3.329 10.910 1.00 0.00 H new ATOM 1074 N TYR D 34 -11.622 7.587 5.481 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.473 8.144 6.203 1.00 0.00 C ATOM 1076 C TYR D 34 -10.095 9.532 5.691 1.00 0.00 C ATOM 1077 O TYR D 34 -9.271 10.216 6.282 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.274 7.191 6.095 1.00 0.00 C ATOM 1079 CG TYR D 34 -8.810 6.901 4.680 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -9.412 5.856 3.957 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -7.773 7.653 4.089 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -8.978 5.558 2.658 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -7.341 7.364 2.781 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.942 6.306 2.063 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.529 5.982 0.811 1.00 0.00 O ATOM 0 H TYR D 34 -11.379 7.199 4.570 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.759 8.251 7.249 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -8.440 7.615 6.655 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -9.534 6.248 6.576 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -10.210 5.282 4.403 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.308 8.455 4.643 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -9.440 4.750 2.110 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -6.554 7.948 2.328 1.00 0.00 H new ATOM 0 HH TYR D 34 -6.810 6.588 0.537 1.00 0.00 H new