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 23 GLN : amide:sc= -0.0037 K(o=1.4,f=0.61) USER MOD Set 1.2: D 27 ASN : amide:sc= 0.542 K(o=1.4,f=-3!) USER MOD Set 1.3: D 32 HIS : no HD1:sc= -0.375 K(o=1.4,f=0.042) USER MOD Set 1.4: D 34 TYR OH : rot 55:sc= 1.23 USER MOD Set 2.1: C 27 ASN : amide:sc= 0.75 K(o=1.6,f=-0.61) USER MOD Set 2.2: C 34 TYR OH : rot 55:sc= 0.899 USER MOD Single : C 19 TYR OH : rot 11:sc= -0.142 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : C 23 GLN : amide:sc= 0 X(o=0,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 -55:sc= 0.137 USER MOD Single : C 32 HIS : no HD1:sc=-0.00286 X(o=-0.0029,f=-0.29) USER MOD Single : D 19 TYR OH : rot -39:sc= 0.241 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 24 GLN : amide:sc= -0.0998 K(o=-0.1,f=-0.93) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot 180:sc= 0.0038 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -6.505 -7.060 7.449 1.00 0.00 N ATOM 122 CA PRO C 11 -7.612 -6.867 6.522 1.00 0.00 C ATOM 123 C PRO C 11 -7.697 -5.387 6.138 1.00 0.00 C ATOM 124 O PRO C 11 -7.145 -4.538 6.838 1.00 0.00 O ATOM 125 CB PRO C 11 -8.850 -7.357 7.278 1.00 0.00 C ATOM 126 CG PRO C 11 -8.515 -7.034 8.733 1.00 0.00 C ATOM 127 CD PRO C 11 -7.007 -7.261 8.799 1.00 0.00 C ATOM 0 HA PRO C 11 -7.501 -7.414 5.586 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.753 -6.844 6.948 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.017 -8.424 7.130 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -8.780 -6.008 8.990 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -9.051 -7.684 9.424 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -6.539 -6.565 9.496 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.780 -8.267 9.153 1.00 0.00 H new ATOM 135 N VAL C 12 -8.525 -5.055 5.145 1.00 0.00 N ATOM 136 CA VAL C 12 -8.721 -3.701 4.628 1.00 0.00 C ATOM 137 C VAL C 12 -8.922 -2.630 5.706 1.00 0.00 C ATOM 138 O VAL C 12 -8.372 -1.541 5.564 1.00 0.00 O ATOM 139 CB VAL C 12 -9.827 -3.701 3.549 1.00 0.00 C ATOM 140 CG1 VAL C 12 -11.198 -4.162 4.064 1.00 0.00 C ATOM 141 CG2 VAL C 12 -9.964 -2.331 2.870 1.00 0.00 C ATOM 0 H VAL C 12 -9.098 -5.747 4.662 1.00 0.00 H new ATOM 0 HA VAL C 12 -7.784 -3.403 4.157 1.00 0.00 H new ATOM 0 HB VAL C 12 -9.496 -4.436 2.815 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.921 -4.135 3.249 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -11.120 -5.180 4.446 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -11.528 -3.499 4.864 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -10.752 -2.375 2.118 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.216 -1.578 3.617 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -9.021 -2.066 2.392 1.00 0.00 H new ATOM 151 N GLU C 13 -9.684 -2.900 6.769 1.00 0.00 N ATOM 152 CA GLU C 13 -9.918 -1.923 7.828 1.00 0.00 C ATOM 153 C GLU C 13 -8.604 -1.522 8.495 1.00 0.00 C ATOM 154 O GLU C 13 -8.379 -0.335 8.730 1.00 0.00 O ATOM 155 CB GLU C 13 -10.932 -2.496 8.823 1.00 0.00 C ATOM 156 CG GLU C 13 -11.181 -1.550 10.002 1.00 0.00 C ATOM 157 CD GLU C 13 -12.364 -2.021 10.839 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.195 -2.980 11.624 1.00 0.00 O ATOM 159 OE2 GLU C 13 -13.477 -1.455 10.678 1.00 0.00 O ATOM 0 H GLU C 13 -10.151 -3.795 6.917 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.338 -1.010 7.406 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.874 -2.690 8.309 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.570 -3.454 9.197 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -10.288 -1.497 10.625 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -11.371 -0.543 9.631 1.00 0.00 H new ATOM 166 N ASP C 14 -7.758 -2.490 8.843 1.00 0.00 N ATOM 167 CA ASP C 14 -6.475 -2.193 9.473 1.00 0.00 C ATOM 168 C ASP C 14 -5.509 -1.638 8.434 1.00 0.00 C ATOM 169 O ASP C 14 -4.761 -0.700 8.708 1.00 0.00 O ATOM 170 CB ASP C 14 -5.886 -3.443 10.129 1.00 0.00 C ATOM 171 CG ASP C 14 -4.862 -3.032 11.184 1.00 0.00 C ATOM 172 OD1 ASP C 14 -5.292 -2.449 12.208 1.00 0.00 O ATOM 173 OD2 ASP C 14 -3.742 -3.582 11.189 1.00 0.00 O ATOM 0 H ASP C 14 -7.938 -3.484 8.699 1.00 0.00 H new ATOM 0 HA ASP C 14 -6.635 -1.447 10.251 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -6.679 -4.034 10.588 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.414 -4.074 9.376 1.00 0.00 H new ATOM 178 N LEU C 15 -5.629 -2.138 7.198 1.00 0.00 N ATOM 179 CA LEU C 15 -4.817 -1.748 6.062 1.00 0.00 C ATOM 180 C LEU C 15 -4.948 -0.258 5.772 1.00 0.00 C ATOM 181 O LEU C 15 -3.985 0.316 5.290 1.00 0.00 O ATOM 182 CB LEU C 15 -5.168 -2.574 4.818 1.00 0.00 C ATOM 183 CG LEU C 15 -3.957 -2.750 3.882 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.026 -3.860 4.397 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.460 -3.176 2.510 1.00 0.00 C ATOM 0 H LEU C 15 -6.321 -2.850 6.964 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.778 -1.951 6.321 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.535 -3.554 5.125 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -5.978 -2.086 4.275 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.414 -1.806 3.838 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.178 -3.967 3.720 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.666 -3.600 5.392 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.573 -4.801 4.444 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -3.613 -3.305 1.836 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.001 -4.118 2.597 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.127 -2.410 2.113 1.00 0.00 H new ATOM 197 N ILE C 16 -6.083 0.383 6.063 1.00 0.00 N ATOM 198 CA ILE C 16 -6.288 1.817 5.839 1.00 0.00 C ATOM 199 C ILE C 16 -5.278 2.603 6.679 1.00 0.00 C ATOM 200 O ILE C 16 -4.682 3.571 6.200 1.00 0.00 O ATOM 201 CB ILE C 16 -7.742 2.184 6.221 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.724 1.671 5.153 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.994 3.687 6.414 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.129 1.471 5.724 1.00 0.00 C ATOM 0 H ILE C 16 -6.895 -0.085 6.466 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.133 2.069 4.790 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.904 1.702 7.185 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.765 2.380 4.326 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.359 0.728 4.746 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.039 3.850 6.680 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.354 4.064 7.212 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.769 4.216 5.488 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.793 1.108 4.939 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.092 0.742 6.534 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.505 2.420 6.107 1.00 0.00 H new ATOM 216 N ARG C 17 -5.196 2.270 7.968 1.00 0.00 N ATOM 217 CA ARG C 17 -4.312 2.901 8.937 1.00 0.00 C ATOM 218 C ARG C 17 -2.870 2.591 8.573 1.00 0.00 C ATOM 219 O ARG C 17 -2.113 3.514 8.269 1.00 0.00 O ATOM 220 CB ARG C 17 -4.702 2.367 10.326 1.00 0.00 C ATOM 221 CG ARG C 17 -4.333 3.312 11.467 1.00 0.00 C ATOM 222 CD ARG C 17 -5.402 4.377 11.687 1.00 0.00 C ATOM 223 NE ARG C 17 -5.047 5.215 12.835 1.00 0.00 N ATOM 224 CZ ARG C 17 -5.853 6.058 13.477 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.140 6.143 13.164 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.356 6.844 14.422 1.00 0.00 N ATOM 0 H ARG C 17 -5.765 1.528 8.375 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.409 3.987 8.940 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.777 2.185 10.348 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -4.213 1.406 10.488 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -4.196 2.739 12.384 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.380 3.793 11.247 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.502 4.993 10.794 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.369 3.903 11.857 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.088 5.146 13.176 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.524 5.558 12.422 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.745 6.794 13.665 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.363 6.800 14.652 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -5.966 7.493 14.919 1.00 0.00 H new ATOM 240 N PHE C 18 -2.569 1.298 8.447 1.00 0.00 N ATOM 241 CA PHE C 18 -1.265 0.768 8.096 1.00 0.00 C ATOM 242 C PHE C 18 -0.749 1.434 6.827 1.00 0.00 C ATOM 243 O PHE C 18 0.367 1.929 6.837 1.00 0.00 O ATOM 244 CB PHE C 18 -1.397 -0.749 7.937 1.00 0.00 C ATOM 245 CG PHE C 18 -0.277 -1.469 7.210 1.00 0.00 C ATOM 246 CD1 PHE C 18 0.945 -1.727 7.854 1.00 0.00 C ATOM 247 CD2 PHE C 18 -0.510 -2.001 5.930 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.915 -2.540 7.240 1.00 0.00 C ATOM 249 CE2 PHE C 18 0.439 -2.849 5.334 1.00 0.00 C ATOM 250 CZ PHE C 18 1.653 -3.118 5.985 1.00 0.00 C ATOM 0 H PHE C 18 -3.263 0.565 8.595 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.537 0.980 8.879 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.491 -1.186 8.931 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.329 -0.954 7.410 1.00 0.00 H new ATOM 0 HD1 PHE C 18 1.141 -1.299 8.826 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -1.421 -1.757 5.403 1.00 0.00 H new ATOM 0 HE1 PHE C 18 2.860 -2.720 7.732 1.00 0.00 H new ATOM 0 HE2 PHE C 18 0.234 -3.295 4.372 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.383 -3.766 5.524 1.00 0.00 H new ATOM 260 N TYR C 19 -1.569 1.545 5.777 1.00 0.00 N ATOM 261 CA TYR C 19 -1.224 2.151 4.497 1.00 0.00 C ATOM 262 C TYR C 19 -0.643 3.553 4.657 1.00 0.00 C ATOM 263 O TYR C 19 0.226 3.941 3.882 1.00 0.00 O ATOM 264 CB TYR C 19 -2.463 2.194 3.583 1.00 0.00 C ATOM 265 CG TYR C 19 -2.268 2.998 2.315 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.689 2.388 1.189 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.610 4.366 2.281 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.366 3.163 0.064 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.290 5.142 1.154 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.603 4.554 0.075 1.00 0.00 C ATOM 271 OH TYR C 19 -1.126 5.340 -0.921 1.00 0.00 O ATOM 0 H TYR C 19 -2.528 1.200 5.802 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.452 1.530 4.042 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.739 1.174 3.315 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.299 2.614 4.142 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.493 1.326 1.189 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.118 4.817 3.121 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -0.936 2.695 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -2.570 6.184 1.116 1.00 0.00 H new ATOM 0 HH TYR C 19 -0.795 4.777 -1.652 1.00 0.00 H new ATOM 281 N ASN C 20 -1.160 4.366 5.575 1.00 0.00 N ATOM 282 CA ASN C 20 -0.640 5.715 5.751 1.00 0.00 C ATOM 283 C ASN C 20 0.789 5.656 6.269 1.00 0.00 C ATOM 284 O ASN C 20 1.687 6.241 5.659 1.00 0.00 O ATOM 285 CB ASN C 20 -1.572 6.530 6.662 1.00 0.00 C ATOM 286 CG ASN C 20 -1.778 7.933 6.108 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.837 8.615 5.704 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.023 8.342 5.931 1.00 0.00 N ATOM 0 H ASN C 20 -1.927 4.117 6.199 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.612 6.229 4.790 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.534 6.025 6.752 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.148 6.589 7.665 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.207 9.227 5.458 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.800 7.773 6.268 1.00 0.00 H new ATOM 295 N ASP C 21 1.018 4.897 7.339 1.00 0.00 N ATOM 296 CA ASP C 21 2.345 4.743 7.945 1.00 0.00 C ATOM 297 C ASP C 21 3.322 3.986 7.038 1.00 0.00 C ATOM 298 O ASP C 21 4.502 4.339 6.966 1.00 0.00 O ATOM 299 CB ASP C 21 2.220 4.049 9.312 1.00 0.00 C ATOM 300 CG ASP C 21 2.465 5.036 10.452 1.00 0.00 C ATOM 301 OD1 ASP C 21 1.952 6.176 10.374 1.00 0.00 O ATOM 302 OD2 ASP C 21 3.208 4.688 11.396 1.00 0.00 O ATOM 0 H ASP C 21 0.287 4.368 7.814 1.00 0.00 H new ATOM 0 HA ASP C 21 2.759 5.742 8.083 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.227 3.612 9.412 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.937 3.230 9.375 1.00 0.00 H new ATOM 307 N LEU C 22 2.801 3.062 6.225 1.00 0.00 N ATOM 308 CA LEU C 22 3.513 2.214 5.283 1.00 0.00 C ATOM 309 C LEU C 22 4.225 3.028 4.210 1.00 0.00 C ATOM 310 O LEU C 22 5.123 2.493 3.569 1.00 0.00 O ATOM 311 CB LEU C 22 2.507 1.234 4.646 1.00 0.00 C ATOM 312 CG LEU C 22 3.107 0.162 3.725 1.00 0.00 C ATOM 313 CD1 LEU C 22 3.983 -0.819 4.510 1.00 0.00 C ATOM 314 CD2 LEU C 22 1.986 -0.599 3.013 1.00 0.00 C ATOM 0 H LEU C 22 1.798 2.879 6.212 1.00 0.00 H new ATOM 0 HA LEU C 22 4.285 1.662 5.820 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.960 0.734 5.446 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.780 1.811 4.075 1.00 0.00 H new ATOM 0 HG LEU C 22 3.735 0.663 2.988 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.393 -1.565 3.830 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.799 -0.276 4.988 1.00 0.00 H new ATOM 0 HD13 LEU C 22 3.381 -1.314 5.272 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.419 -1.358 2.361 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.345 -1.078 3.753 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.395 0.097 2.417 1.00 0.00 H new ATOM 326 N GLN C 23 3.896 4.309 4.013 1.00 0.00 N ATOM 327 CA GLN C 23 4.556 5.139 3.008 1.00 0.00 C ATOM 328 C GLN C 23 6.076 5.123 3.246 1.00 0.00 C ATOM 329 O GLN C 23 6.849 5.050 2.287 1.00 0.00 O ATOM 330 CB GLN C 23 3.972 6.561 3.060 1.00 0.00 C ATOM 331 CG GLN C 23 4.116 7.346 1.747 1.00 0.00 C ATOM 332 CD GLN C 23 4.504 8.803 2.005 1.00 0.00 C ATOM 333 OE1 GLN C 23 5.688 9.135 2.018 1.00 0.00 O ATOM 334 NE2 GLN C 23 3.563 9.677 2.328 1.00 0.00 N ATOM 0 H GLN C 23 3.171 4.793 4.542 1.00 0.00 H new ATOM 0 HA GLN C 23 4.377 4.744 2.008 1.00 0.00 H new ATOM 0 HB2 GLN C 23 2.915 6.499 3.320 1.00 0.00 H new ATOM 0 HB3 GLN C 23 4.465 7.116 3.859 1.00 0.00 H new ATOM 0 HG2 GLN C 23 4.871 6.873 1.120 1.00 0.00 H new ATOM 0 HG3 GLN C 23 3.176 7.311 1.196 1.00 0.00 H new ATOM 0 HE21 GLN C 23 2.582 9.398 2.316 1.00 0.00 H new ATOM 0 HE22 GLN C 23 3.819 10.629 2.589 1.00 0.00 H new ATOM 343 N GLN C 24 6.499 5.017 4.514 1.00 0.00 N ATOM 344 CA GLN C 24 7.905 4.978 4.860 1.00 0.00 C ATOM 345 C GLN C 24 8.594 3.713 4.340 1.00 0.00 C ATOM 346 O GLN C 24 9.758 3.794 3.969 1.00 0.00 O ATOM 347 CB GLN C 24 8.122 5.108 6.380 1.00 0.00 C ATOM 348 CG GLN C 24 9.245 6.124 6.624 1.00 0.00 C ATOM 349 CD GLN C 24 9.782 6.137 8.053 1.00 0.00 C ATOM 350 OE1 GLN C 24 9.050 6.288 9.033 1.00 0.00 O ATOM 351 NE2 GLN C 24 11.092 6.026 8.205 1.00 0.00 N ATOM 0 H GLN C 24 5.871 4.957 5.316 1.00 0.00 H new ATOM 0 HA GLN C 24 8.362 5.837 4.369 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.203 5.434 6.868 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.385 4.141 6.809 1.00 0.00 H new ATOM 0 HG2 GLN C 24 10.067 5.910 5.941 1.00 0.00 H new ATOM 0 HG3 GLN C 24 8.877 7.120 6.377 1.00 0.00 H new ATOM 0 HE21 GLN C 24 11.691 5.901 7.389 1.00 0.00 H new ATOM 0 HE22 GLN C 24 11.502 6.065 9.138 1.00 0.00 H new ATOM 360 N TYR C 25 7.918 2.560 4.289 1.00 0.00 N ATOM 361 CA TYR C 25 8.495 1.297 3.831 1.00 0.00 C ATOM 362 C TYR C 25 9.169 1.443 2.467 1.00 0.00 C ATOM 363 O TYR C 25 10.398 1.345 2.382 1.00 0.00 O ATOM 364 CB TYR C 25 7.448 0.170 3.847 1.00 0.00 C ATOM 365 CG TYR C 25 7.861 -1.124 3.164 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.181 -1.607 3.261 1.00 0.00 C ATOM 367 CD2 TYR C 25 6.929 -1.812 2.361 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.579 -2.716 2.499 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.317 -2.932 1.609 1.00 0.00 C ATOM 370 CZ TYR C 25 8.656 -3.371 1.656 1.00 0.00 C ATOM 371 OH TYR C 25 9.086 -4.410 0.893 1.00 0.00 O ATOM 0 H TYR C 25 6.941 2.480 4.569 1.00 0.00 H new ATOM 0 HA TYR C 25 9.279 1.017 4.534 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.196 -0.052 4.884 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.539 0.537 3.370 1.00 0.00 H new ATOM 0 HD1 TYR C 25 9.886 -1.124 3.921 1.00 0.00 H new ATOM 0 HD2 TYR C 25 5.904 -1.473 2.324 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.598 -3.070 2.558 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.595 -3.454 0.999 1.00 0.00 H new ATOM 0 HH TYR C 25 8.338 -4.761 0.366 1.00 0.00 H new ATOM 381 N LEU C 26 8.403 1.716 1.405 1.00 0.00 N ATOM 382 CA LEU C 26 8.980 1.864 0.070 1.00 0.00 C ATOM 383 C LEU C 26 9.958 3.041 0.029 1.00 0.00 C ATOM 384 O LEU C 26 10.958 2.985 -0.700 1.00 0.00 O ATOM 385 CB LEU C 26 7.873 1.955 -0.993 1.00 0.00 C ATOM 386 CG LEU C 26 7.185 0.588 -1.218 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.914 0.756 -2.051 1.00 0.00 C ATOM 388 CD2 LEU C 26 8.109 -0.416 -1.922 1.00 0.00 C ATOM 0 H LEU C 26 7.391 1.838 1.446 1.00 0.00 H new ATOM 0 HA LEU C 26 9.563 0.974 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU C 26 7.130 2.690 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU C 26 8.298 2.308 -1.933 1.00 0.00 H new ATOM 0 HG LEU C 26 6.937 0.197 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.444 -0.217 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU C 26 5.222 1.418 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU C 26 6.168 1.187 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.583 -1.361 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU C 26 8.403 -0.020 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.998 -0.580 -1.314 1.00 0.00 H new ATOM 400 N ASN C 27 9.725 4.076 0.848 1.00 0.00 N ATOM 401 CA ASN C 27 10.606 5.238 0.925 1.00 0.00 C ATOM 402 C ASN C 27 11.981 4.790 1.429 1.00 0.00 C ATOM 403 O ASN C 27 12.982 5.328 0.959 1.00 0.00 O ATOM 404 CB ASN C 27 10.007 6.357 1.799 1.00 0.00 C ATOM 405 CG ASN C 27 9.219 7.387 0.994 1.00 0.00 C ATOM 406 OD1 ASN C 27 8.635 7.057 -0.033 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.286 8.658 1.344 1.00 0.00 N ATOM 0 H ASN C 27 8.920 4.126 1.473 1.00 0.00 H new ATOM 0 HA ASN C 27 10.717 5.666 -0.071 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.353 5.913 2.549 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.811 6.861 2.335 1.00 0.00 H new ATOM 0 HD21 ASN C 27 8.851 9.372 0.759 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.773 8.927 2.199 1.00 0.00 H new ATOM 414 N VAL C 28 12.079 3.796 2.317 1.00 0.00 N ATOM 415 CA VAL C 28 13.350 3.282 2.821 1.00 0.00 C ATOM 416 C VAL C 28 13.969 2.401 1.721 1.00 0.00 C ATOM 417 O VAL C 28 15.132 2.620 1.375 1.00 0.00 O ATOM 418 CB VAL C 28 13.157 2.504 4.148 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.463 1.861 4.644 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.669 3.395 5.299 1.00 0.00 C ATOM 0 H VAL C 28 11.266 3.322 2.709 1.00 0.00 H new ATOM 0 HA VAL C 28 14.025 4.105 3.053 1.00 0.00 H new ATOM 0 HB VAL C 28 12.411 1.748 3.902 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.275 1.328 5.576 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.832 1.161 3.894 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.209 2.637 4.814 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.553 2.794 6.201 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.397 4.185 5.481 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.710 3.840 5.033 1.00 0.00 H new ATOM 430 N VAL C 29 13.189 1.500 1.098 1.00 0.00 N ATOM 431 CA VAL C 29 13.608 0.563 0.036 1.00 0.00 C ATOM 432 C VAL C 29 14.290 1.251 -1.151 1.00 0.00 C ATOM 433 O VAL C 29 15.179 0.652 -1.768 1.00 0.00 O ATOM 434 CB VAL C 29 12.393 -0.279 -0.434 1.00 0.00 C ATOM 435 CG1 VAL C 29 12.689 -1.223 -1.611 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.852 -1.171 0.688 1.00 0.00 C ATOM 0 H VAL C 29 12.201 1.399 1.331 1.00 0.00 H new ATOM 0 HA VAL C 29 14.362 -0.093 0.471 1.00 0.00 H new ATOM 0 HB VAL C 29 11.673 0.477 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL C 29 11.785 -1.772 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL C 29 13.022 -0.640 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL C 29 13.471 -1.927 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL C 29 11.002 -1.745 0.319 1.00 0.00 H new ATOM 0 HG22 VAL C 29 12.634 -1.854 1.019 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.534 -0.550 1.526 1.00 0.00 H new ATOM 446 N THR C 30 13.980 2.518 -1.415 1.00 0.00 N ATOM 447 CA THR C 30 14.559 3.282 -2.521 1.00 0.00 C ATOM 448 C THR C 30 15.077 4.644 -2.074 1.00 0.00 C ATOM 449 O THR C 30 15.334 5.510 -2.910 1.00 0.00 O ATOM 450 CB THR C 30 13.526 3.378 -3.647 1.00 0.00 C ATOM 451 OG1 THR C 30 12.301 3.863 -3.136 1.00 0.00 O ATOM 452 CG2 THR C 30 13.307 2.022 -4.319 1.00 0.00 C ATOM 0 H THR C 30 13.311 3.052 -0.860 1.00 0.00 H new ATOM 0 HA THR C 30 15.438 2.759 -2.898 1.00 0.00 H new ATOM 0 HB THR C 30 13.909 4.070 -4.397 1.00 0.00 H new ATOM 0 HG1 THR C 30 12.011 3.298 -2.390 1.00 0.00 H new ATOM 0 HG21 THR C 30 12.568 2.125 -5.114 1.00 0.00 H new ATOM 0 HG22 THR C 30 14.248 1.669 -4.742 1.00 0.00 H new ATOM 0 HG23 THR C 30 12.949 1.304 -3.581 1.00 0.00 H new ATOM 460 N ARG C 31 15.259 4.853 -0.767 1.00 0.00 N ATOM 461 CA ARG C 31 15.732 6.104 -0.180 1.00 0.00 C ATOM 462 C ARG C 31 15.063 7.324 -0.841 1.00 0.00 C ATOM 463 O ARG C 31 15.733 8.271 -1.259 1.00 0.00 O ATOM 464 CB ARG C 31 17.269 6.097 -0.101 1.00 0.00 C ATOM 465 CG ARG C 31 17.798 7.169 0.865 1.00 0.00 C ATOM 466 CD ARG C 31 19.254 6.909 1.264 1.00 0.00 C ATOM 467 NE ARG C 31 19.742 7.964 2.167 1.00 0.00 N ATOM 468 CZ ARG C 31 20.970 8.050 2.686 1.00 0.00 C ATOM 469 NH1 ARG C 31 21.811 7.026 2.654 1.00 0.00 N ATOM 470 NH2 ARG C 31 21.343 9.167 3.289 1.00 0.00 N ATOM 0 H ARG C 31 15.075 4.132 -0.069 1.00 0.00 H new ATOM 0 HA ARG C 31 15.412 6.196 0.858 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.611 5.115 0.224 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.684 6.267 -1.094 1.00 0.00 H new ATOM 0 HG2 ARG C 31 17.719 8.150 0.397 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.175 7.192 1.759 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.334 5.938 1.754 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.879 6.869 0.372 1.00 0.00 H new ATOM 0 HE ARG C 31 19.081 8.698 2.420 1.00 0.00 H new ATOM 0 HH11 ARG C 31 21.526 6.145 2.226 1.00 0.00 H new ATOM 0 HH12 ARG C 31 22.743 7.119 3.058 1.00 0.00 H new ATOM 0 HH21 ARG C 31 20.695 9.952 3.354 1.00 0.00 H new ATOM 0 HH22 ARG C 31 22.278 9.243 3.689 1.00 0.00 H new ATOM 484 N HIS C 32 13.728 7.254 -0.931 1.00 0.00 N ATOM 485 CA HIS C 32 12.775 8.234 -1.466 1.00 0.00 C ATOM 486 C HIS C 32 12.976 8.611 -2.949 1.00 0.00 C ATOM 487 O HIS C 32 12.355 9.559 -3.427 1.00 0.00 O ATOM 488 CB HIS C 32 12.760 9.423 -0.480 1.00 0.00 C ATOM 489 CG HIS C 32 11.597 10.390 -0.474 1.00 0.00 C ATOM 490 ND1 HIS C 32 10.509 10.425 -1.312 1.00 0.00 N ATOM 491 CD2 HIS C 32 11.416 11.379 0.455 1.00 0.00 C ATOM 492 CE1 HIS C 32 9.686 11.400 -0.902 1.00 0.00 C ATOM 493 NE2 HIS C 32 10.213 12.032 0.162 1.00 0.00 N ATOM 0 H HIS C 32 13.239 6.424 -0.596 1.00 0.00 H new ATOM 0 HA HIS C 32 11.782 7.787 -1.520 1.00 0.00 H new ATOM 0 HB2 HIS C 32 12.843 9.010 0.526 1.00 0.00 H new ATOM 0 HB3 HIS C 32 13.664 10.005 -0.661 1.00 0.00 H new ATOM 0 HD2 HIS C 32 12.084 11.614 1.271 1.00 0.00 H new ATOM 0 HE1 HIS C 32 8.738 11.643 -1.359 1.00 0.00 H new ATOM 0 HE2 HIS C 32 9.815 12.830 0.658 1.00 0.00 H new ATOM 501 N ARG C 33 13.734 7.834 -3.739 1.00 0.00 N ATOM 502 CA ARG C 33 13.969 8.139 -5.159 1.00 0.00 C ATOM 503 C ARG C 33 12.710 8.120 -6.044 1.00 0.00 C ATOM 504 O ARG C 33 12.801 8.533 -7.210 1.00 0.00 O ATOM 505 CB ARG C 33 15.012 7.170 -5.748 1.00 0.00 C ATOM 506 CG ARG C 33 16.464 7.444 -5.322 1.00 0.00 C ATOM 507 CD ARG C 33 17.476 6.752 -6.252 1.00 0.00 C ATOM 508 NE ARG C 33 17.171 5.322 -6.489 1.00 0.00 N ATOM 509 CZ ARG C 33 17.959 4.263 -6.268 1.00 0.00 C ATOM 510 NH1 ARG C 33 19.191 4.409 -5.800 1.00 0.00 N ATOM 511 NH2 ARG C 33 17.523 3.040 -6.545 1.00 0.00 N ATOM 0 H ARG C 33 14.197 6.985 -3.415 1.00 0.00 H new ATOM 0 HA ARG C 33 14.333 9.166 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG C 33 14.748 6.154 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.953 7.214 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG C 33 16.646 8.519 -5.323 1.00 0.00 H new ATOM 0 HG3 ARG C 33 16.614 7.097 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG C 33 17.497 7.275 -7.208 1.00 0.00 H new ATOM 0 HD3 ARG C 33 18.473 6.837 -5.820 1.00 0.00 H new ATOM 0 HE ARG C 33 16.246 5.119 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG C 33 19.554 5.341 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG C 33 19.776 3.589 -5.638 1.00 0.00 H new ATOM 0 HH21 ARG C 33 16.587 2.907 -6.927 1.00 0.00 H new ATOM 0 HH22 ARG C 33 18.124 2.234 -6.376 1.00 0.00 H new ATOM 525 N TYR C 34 11.581 7.561 -5.597 1.00 0.00 N ATOM 526 CA TYR C 34 10.369 7.519 -6.415 1.00 0.00 C ATOM 527 C TYR C 34 9.483 8.745 -6.206 1.00 0.00 C ATOM 528 O TYR C 34 8.541 8.942 -6.967 1.00 0.00 O ATOM 529 CB TYR C 34 9.602 6.211 -6.199 1.00 0.00 C ATOM 530 CG TYR C 34 8.837 6.062 -4.899 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.468 5.477 -3.792 1.00 0.00 C ATOM 532 CD2 TYR C 34 7.480 6.424 -4.812 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.765 5.278 -2.594 1.00 0.00 C ATOM 534 CE2 TYR C 34 6.752 6.185 -3.633 1.00 0.00 C ATOM 535 CZ TYR C 34 7.397 5.625 -2.509 1.00 0.00 C ATOM 536 OH TYR C 34 6.731 5.501 -1.330 1.00 0.00 O ATOM 0 H TYR C 34 11.483 7.133 -4.676 1.00 0.00 H new ATOM 0 HA TYR C 34 10.684 7.547 -7.458 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.896 6.094 -7.021 1.00 0.00 H new ATOM 0 HB3 TYR C 34 10.313 5.387 -6.269 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.503 5.177 -3.862 1.00 0.00 H new ATOM 0 HD2 TYR C 34 6.994 6.889 -5.657 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.270 4.859 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR C 34 5.701 6.429 -3.587 1.00 0.00 H new ATOM 0 HH TYR C 34 7.204 6.002 -0.633 1.00 0.00 H new ATOM 670 N PRO D 11 6.917 -7.513 -8.657 1.00 0.00 N ATOM 671 CA PRO D 11 8.215 -7.188 -8.079 1.00 0.00 C ATOM 672 C PRO D 11 8.092 -5.907 -7.238 1.00 0.00 C ATOM 673 O PRO D 11 7.251 -5.060 -7.550 1.00 0.00 O ATOM 674 CB PRO D 11 9.141 -7.028 -9.289 1.00 0.00 C ATOM 675 CG PRO D 11 8.227 -6.568 -10.411 1.00 0.00 C ATOM 676 CD PRO D 11 6.922 -7.294 -10.101 1.00 0.00 C ATOM 0 HA PRO D 11 8.604 -7.947 -7.400 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.927 -6.298 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.633 -7.968 -9.539 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.098 -5.486 -10.410 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.619 -6.841 -11.390 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.062 -6.699 -10.408 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.864 -8.240 -10.639 1.00 0.00 H new ATOM 684 N VAL D 12 8.960 -5.702 -6.237 1.00 0.00 N ATOM 685 CA VAL D 12 8.892 -4.497 -5.399 1.00 0.00 C ATOM 686 C VAL D 12 9.099 -3.236 -6.248 1.00 0.00 C ATOM 687 O VAL D 12 8.536 -2.186 -5.958 1.00 0.00 O ATOM 688 CB VAL D 12 9.828 -4.603 -4.175 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.321 -4.675 -4.533 1.00 0.00 C ATOM 690 CG2 VAL D 12 9.596 -3.470 -3.168 1.00 0.00 C ATOM 0 H VAL D 12 9.710 -6.348 -5.990 1.00 0.00 H new ATOM 0 HA VAL D 12 7.890 -4.412 -4.978 1.00 0.00 H new ATOM 0 HB VAL D 12 9.560 -5.554 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.911 -4.748 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL D 12 11.504 -5.552 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL D 12 11.608 -3.777 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL D 12 10.277 -3.587 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL D 12 9.779 -2.510 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL D 12 8.567 -3.506 -2.811 1.00 0.00 H new ATOM 700 N GLU D 13 9.810 -3.351 -7.369 1.00 0.00 N ATOM 701 CA GLU D 13 10.039 -2.238 -8.266 1.00 0.00 C ATOM 702 C GLU D 13 8.710 -1.775 -8.880 1.00 0.00 C ATOM 703 O GLU D 13 8.537 -0.587 -9.143 1.00 0.00 O ATOM 704 CB GLU D 13 11.032 -2.692 -9.329 1.00 0.00 C ATOM 705 CG GLU D 13 11.464 -1.541 -10.243 1.00 0.00 C ATOM 706 CD GLU D 13 12.526 -1.986 -11.247 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.628 -3.210 -11.526 1.00 0.00 O ATOM 708 OE2 GLU D 13 13.206 -1.094 -11.797 1.00 0.00 O ATOM 0 H GLU D 13 10.241 -4.224 -7.674 1.00 0.00 H new ATOM 0 HA GLU D 13 10.455 -1.383 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.910 -3.119 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.583 -3.483 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU D 13 10.596 -1.155 -10.778 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.855 -0.723 -9.638 1.00 0.00 H new ATOM 715 N ASP D 14 7.826 -2.712 -9.232 1.00 0.00 N ATOM 716 CA ASP D 14 6.508 -2.417 -9.801 1.00 0.00 C ATOM 717 C ASP D 14 5.595 -1.941 -8.676 1.00 0.00 C ATOM 718 O ASP D 14 4.821 -1.001 -8.856 1.00 0.00 O ATOM 719 CB ASP D 14 5.928 -3.676 -10.453 1.00 0.00 C ATOM 720 CG ASP D 14 4.583 -3.422 -11.132 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.520 -3.588 -10.485 1.00 0.00 O ATOM 722 OD2 ASP D 14 4.587 -3.389 -12.383 1.00 0.00 O ATOM 0 H ASP D 14 8.008 -3.710 -9.129 1.00 0.00 H new ATOM 0 HA ASP D 14 6.593 -1.643 -10.564 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.636 -4.058 -11.189 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.807 -4.450 -9.695 1.00 0.00 H new ATOM 727 N LEU D 15 5.798 -2.493 -7.472 1.00 0.00 N ATOM 728 CA LEU D 15 5.034 -2.152 -6.286 1.00 0.00 C ATOM 729 C LEU D 15 5.127 -0.654 -5.995 1.00 0.00 C ATOM 730 O LEU D 15 4.130 -0.068 -5.599 1.00 0.00 O ATOM 731 CB LEU D 15 5.472 -2.991 -5.073 1.00 0.00 C ATOM 732 CG LEU D 15 4.452 -2.918 -3.925 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.189 -3.709 -4.245 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.042 -3.472 -2.628 1.00 0.00 C ATOM 0 H LEU D 15 6.513 -3.201 -7.302 1.00 0.00 H new ATOM 0 HA LEU D 15 3.988 -2.391 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.601 -4.029 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.441 -2.639 -4.720 1.00 0.00 H new ATOM 0 HG LEU D 15 4.202 -1.864 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.492 -3.634 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.724 -3.304 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.447 -4.755 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.299 -3.408 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU D 15 5.328 -4.514 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.921 -2.890 -2.350 1.00 0.00 H new ATOM 746 N ILE D 16 6.261 -0.013 -6.288 1.00 0.00 N ATOM 747 CA ILE D 16 6.484 1.420 -6.087 1.00 0.00 C ATOM 748 C ILE D 16 5.439 2.259 -6.835 1.00 0.00 C ATOM 749 O ILE D 16 5.030 3.322 -6.361 1.00 0.00 O ATOM 750 CB ILE D 16 7.921 1.757 -6.542 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.938 1.207 -5.520 1.00 0.00 C ATOM 752 CG2 ILE D 16 8.149 3.261 -6.740 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.361 1.139 -6.079 1.00 0.00 C ATOM 0 H ILE D 16 7.072 -0.490 -6.683 1.00 0.00 H new ATOM 0 HA ILE D 16 6.372 1.666 -5.031 1.00 0.00 H new ATOM 0 HB ILE D 16 8.065 1.281 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.931 1.838 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.628 0.211 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE D 16 9.177 3.434 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.464 3.636 -7.501 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.968 3.783 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE D 16 11.033 0.745 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE D 16 10.378 0.485 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.687 2.138 -6.368 1.00 0.00 H new ATOM 765 N ARG D 17 5.118 1.872 -8.067 1.00 0.00 N ATOM 766 CA ARG D 17 4.152 2.578 -8.899 1.00 0.00 C ATOM 767 C ARG D 17 2.747 2.172 -8.486 1.00 0.00 C ATOM 768 O ARG D 17 1.911 3.048 -8.259 1.00 0.00 O ATOM 769 CB ARG D 17 4.478 2.241 -10.361 1.00 0.00 C ATOM 770 CG ARG D 17 4.087 3.363 -11.326 1.00 0.00 C ATOM 771 CD ARG D 17 5.038 4.563 -11.186 1.00 0.00 C ATOM 772 NE ARG D 17 4.851 5.485 -12.305 1.00 0.00 N ATOM 773 CZ ARG D 17 5.740 6.333 -12.823 1.00 0.00 C ATOM 774 NH1 ARG D 17 6.918 6.574 -12.245 1.00 0.00 N ATOM 775 NH2 ARG D 17 5.432 6.910 -13.975 1.00 0.00 N ATOM 0 H ARG D 17 5.525 1.053 -8.518 1.00 0.00 H new ATOM 0 HA ARG D 17 4.207 3.660 -8.777 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.546 2.042 -10.455 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.957 1.326 -10.644 1.00 0.00 H new ATOM 0 HG2 ARG D 17 4.112 2.992 -12.351 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.063 3.680 -11.126 1.00 0.00 H new ATOM 0 HD2 ARG D 17 4.849 5.079 -10.244 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.071 4.217 -11.158 1.00 0.00 H new ATOM 0 HE ARG D 17 3.929 5.479 -12.742 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.165 6.102 -11.375 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.571 7.230 -12.673 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.544 6.699 -14.430 1.00 0.00 H new ATOM 0 HH22 ARG D 17 6.083 7.566 -14.407 1.00 0.00 H new ATOM 789 N PHE D 18 2.524 0.875 -8.277 1.00 0.00 N ATOM 790 CA PHE D 18 1.244 0.329 -7.851 1.00 0.00 C ATOM 791 C PHE D 18 0.789 1.020 -6.563 1.00 0.00 C ATOM 792 O PHE D 18 -0.362 1.432 -6.487 1.00 0.00 O ATOM 793 CB PHE D 18 1.408 -1.186 -7.653 1.00 0.00 C ATOM 794 CG PHE D 18 0.394 -1.890 -6.764 1.00 0.00 C ATOM 795 CD1 PHE D 18 0.584 -1.929 -5.369 1.00 0.00 C ATOM 796 CD2 PHE D 18 -0.678 -2.603 -7.328 1.00 0.00 C ATOM 797 CE1 PHE D 18 -0.272 -2.689 -4.554 1.00 0.00 C ATOM 798 CE2 PHE D 18 -1.571 -3.317 -6.510 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.363 -3.365 -5.121 1.00 0.00 C ATOM 0 H PHE D 18 3.244 0.164 -8.403 1.00 0.00 H new ATOM 0 HA PHE D 18 0.477 0.506 -8.605 1.00 0.00 H new ATOM 0 HB2 PHE D 18 1.381 -1.659 -8.635 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.400 -1.366 -7.240 1.00 0.00 H new ATOM 0 HD1 PHE D 18 1.394 -1.371 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -0.817 -2.602 -8.399 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -0.090 -2.753 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -2.416 -3.828 -6.948 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.042 -3.921 -4.491 1.00 0.00 H new ATOM 809 N TYR D 19 1.701 1.241 -5.610 1.00 0.00 N ATOM 810 CA TYR D 19 1.485 1.864 -4.309 1.00 0.00 C ATOM 811 C TYR D 19 0.831 3.240 -4.393 1.00 0.00 C ATOM 812 O TYR D 19 0.059 3.608 -3.508 1.00 0.00 O ATOM 813 CB TYR D 19 2.833 1.972 -3.569 1.00 0.00 C ATOM 814 CG TYR D 19 2.706 2.462 -2.144 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.021 1.650 -1.223 1.00 0.00 C ATOM 816 CD2 TYR D 19 3.223 3.712 -1.733 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.791 2.104 0.080 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.982 4.177 -0.434 1.00 0.00 C ATOM 819 CZ TYR D 19 2.242 3.380 0.462 1.00 0.00 C ATOM 820 OH TYR D 19 1.985 3.819 1.709 1.00 0.00 O ATOM 0 H TYR D 19 2.675 0.969 -5.741 1.00 0.00 H new ATOM 0 HA TYR D 19 0.790 1.227 -3.763 1.00 0.00 H new ATOM 0 HB2 TYR D 19 3.315 0.995 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.487 2.648 -4.120 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.671 0.673 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.804 4.308 -2.421 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.270 1.478 0.789 1.00 0.00 H new ATOM 0 HE2 TYR D 19 3.360 5.139 -0.121 1.00 0.00 H new ATOM 0 HH TYR D 19 1.085 3.538 1.976 1.00 0.00 H new ATOM 830 N ASN D 20 1.143 4.004 -5.439 1.00 0.00 N ATOM 831 CA ASN D 20 0.587 5.336 -5.609 1.00 0.00 C ATOM 832 C ASN D 20 -0.831 5.266 -6.152 1.00 0.00 C ATOM 833 O ASN D 20 -1.729 5.923 -5.624 1.00 0.00 O ATOM 834 CB ASN D 20 1.509 6.179 -6.499 1.00 0.00 C ATOM 835 CG ASN D 20 1.832 7.509 -5.831 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.966 8.367 -5.643 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.064 7.648 -5.372 1.00 0.00 N ATOM 0 H ASN D 20 1.781 3.717 -6.182 1.00 0.00 H new ATOM 0 HA ASN D 20 0.527 5.825 -4.637 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.431 5.632 -6.697 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.030 6.357 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.321 8.483 -4.846 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.758 6.920 -5.544 1.00 0.00 H new ATOM 844 N ASP D 21 -1.036 4.453 -7.192 1.00 0.00 N ATOM 845 CA ASP D 21 -2.343 4.270 -7.825 1.00 0.00 C ATOM 846 C ASP D 21 -3.334 3.608 -6.860 1.00 0.00 C ATOM 847 O ASP D 21 -4.502 4.006 -6.807 1.00 0.00 O ATOM 848 CB ASP D 21 -2.208 3.421 -9.097 1.00 0.00 C ATOM 849 CG ASP D 21 -1.903 4.270 -10.332 1.00 0.00 C ATOM 850 OD1 ASP D 21 -2.852 4.809 -10.951 1.00 0.00 O ATOM 851 OD2 ASP D 21 -0.745 4.224 -10.813 1.00 0.00 O ATOM 0 H ASP D 21 -0.294 3.900 -7.621 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.726 5.255 -8.092 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.414 2.687 -8.959 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -3.131 2.865 -9.260 1.00 0.00 H new ATOM 856 N LEU D 22 -2.828 2.685 -6.035 1.00 0.00 N ATOM 857 CA LEU D 22 -3.490 1.872 -5.016 1.00 0.00 C ATOM 858 C LEU D 22 -4.330 2.682 -4.037 1.00 0.00 C ATOM 859 O LEU D 22 -5.339 2.173 -3.552 1.00 0.00 O ATOM 860 CB LEU D 22 -2.391 1.102 -4.264 1.00 0.00 C ATOM 861 CG LEU D 22 -2.792 0.440 -2.939 1.00 0.00 C ATOM 862 CD1 LEU D 22 -3.773 -0.705 -3.177 1.00 0.00 C ATOM 863 CD2 LEU D 22 -1.531 -0.090 -2.251 1.00 0.00 C ATOM 0 H LEU D 22 -1.832 2.468 -6.072 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.192 1.202 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.004 0.328 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.570 1.790 -4.065 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.283 1.179 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.042 -1.158 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.670 -0.320 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.308 -1.455 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -1.803 -0.563 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.044 -0.821 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -0.847 0.736 -2.059 1.00 0.00 H new ATOM 875 N GLN D 23 -3.922 3.913 -3.726 1.00 0.00 N ATOM 876 CA GLN D 23 -4.636 4.796 -2.809 1.00 0.00 C ATOM 877 C GLN D 23 -6.115 4.907 -3.236 1.00 0.00 C ATOM 878 O GLN D 23 -7.021 4.929 -2.400 1.00 0.00 O ATOM 879 CB GLN D 23 -3.855 6.124 -2.780 1.00 0.00 C ATOM 880 CG GLN D 23 -4.292 7.175 -1.757 1.00 0.00 C ATOM 881 CD GLN D 23 -5.386 8.079 -2.310 1.00 0.00 C ATOM 882 OE1 GLN D 23 -6.567 7.884 -2.043 1.00 0.00 O ATOM 883 NE2 GLN D 23 -5.046 9.087 -3.087 1.00 0.00 N ATOM 0 H GLN D 23 -3.074 4.329 -4.111 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.680 4.417 -1.788 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -2.805 5.894 -2.599 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -3.916 6.573 -3.771 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -4.651 6.678 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -3.433 7.779 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -4.064 9.250 -3.310 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -5.765 9.704 -3.466 1.00 0.00 H new ATOM 892 N GLN D 24 -6.370 4.855 -4.550 1.00 0.00 N ATOM 893 CA GLN D 24 -7.697 4.923 -5.141 1.00 0.00 C ATOM 894 C GLN D 24 -8.533 3.708 -4.722 1.00 0.00 C ATOM 895 O GLN D 24 -9.680 3.889 -4.326 1.00 0.00 O ATOM 896 CB GLN D 24 -7.547 5.043 -6.666 1.00 0.00 C ATOM 897 CG GLN D 24 -8.774 5.619 -7.381 1.00 0.00 C ATOM 898 CD GLN D 24 -9.925 4.634 -7.569 1.00 0.00 C ATOM 899 OE1 GLN D 24 -9.758 3.412 -7.587 1.00 0.00 O ATOM 900 NE2 GLN D 24 -11.124 5.157 -7.735 1.00 0.00 N ATOM 0 H GLN D 24 -5.630 4.762 -5.246 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.233 5.801 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -6.685 5.673 -6.885 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -7.333 4.056 -7.076 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -9.137 6.477 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -8.467 5.989 -8.359 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -11.246 6.170 -7.717 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -11.930 4.549 -7.881 1.00 0.00 H new ATOM 909 N TYR D 25 -7.992 2.482 -4.792 1.00 0.00 N ATOM 910 CA TYR D 25 -8.717 1.268 -4.404 1.00 0.00 C ATOM 911 C TYR D 25 -9.169 1.388 -2.951 1.00 0.00 C ATOM 912 O TYR D 25 -10.355 1.200 -2.668 1.00 0.00 O ATOM 913 CB TYR D 25 -7.871 0.001 -4.628 1.00 0.00 C ATOM 914 CG TYR D 25 -8.377 -1.266 -3.947 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.753 -1.569 -3.863 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.450 -2.129 -3.332 1.00 0.00 C ATOM 917 CE1 TYR D 25 -10.194 -2.659 -3.093 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.888 -3.223 -2.568 1.00 0.00 C ATOM 919 CZ TYR D 25 -9.265 -3.464 -2.404 1.00 0.00 C ATOM 920 OH TYR D 25 -9.688 -4.437 -1.555 1.00 0.00 O ATOM 0 H TYR D 25 -7.042 2.307 -5.119 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.596 1.170 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.808 -0.186 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.857 0.198 -4.279 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.471 -0.960 -4.393 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.392 -1.948 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -11.249 -2.880 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.167 -3.881 -2.105 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.912 -4.894 -1.168 1.00 0.00 H new ATOM 930 N LEU D 26 -8.259 1.744 -2.035 1.00 0.00 N ATOM 931 CA LEU D 26 -8.626 1.895 -0.630 1.00 0.00 C ATOM 932 C LEU D 26 -9.739 2.929 -0.515 1.00 0.00 C ATOM 933 O LEU D 26 -10.671 2.728 0.264 1.00 0.00 O ATOM 934 CB LEU D 26 -7.421 2.298 0.239 1.00 0.00 C ATOM 935 CG LEU D 26 -6.622 1.112 0.811 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.415 1.613 1.610 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.469 0.244 1.752 1.00 0.00 C ATOM 0 H LEU D 26 -7.278 1.930 -2.242 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.975 0.932 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.751 2.918 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.775 2.914 1.066 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.305 0.516 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -4.862 0.761 2.007 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.764 2.196 0.959 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.758 2.238 2.434 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -6.864 -0.580 2.131 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.821 0.850 2.587 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.325 -0.155 1.207 1.00 0.00 H new ATOM 949 N ASN D 27 -9.674 4.012 -1.288 1.00 0.00 N ATOM 950 CA ASN D 27 -10.706 5.034 -1.254 1.00 0.00 C ATOM 951 C ASN D 27 -12.044 4.505 -1.757 1.00 0.00 C ATOM 952 O ASN D 27 -13.055 4.860 -1.161 1.00 0.00 O ATOM 953 CB ASN D 27 -10.260 6.303 -2.003 1.00 0.00 C ATOM 954 CG ASN D 27 -9.694 7.350 -1.051 1.00 0.00 C ATOM 955 OD1 ASN D 27 -9.557 7.118 0.145 1.00 0.00 O ATOM 956 ND2 ASN D 27 -9.451 8.559 -1.512 1.00 0.00 N ATOM 0 H ASN D 27 -8.916 4.200 -1.944 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.858 5.315 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.506 6.041 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.108 6.723 -2.544 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -9.150 9.297 -0.875 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -9.563 8.758 -2.506 1.00 0.00 H new ATOM 963 N VAL D 28 -12.087 3.625 -2.758 1.00 0.00 N ATOM 964 CA VAL D 28 -13.336 3.070 -3.276 1.00 0.00 C ATOM 965 C VAL D 28 -14.039 2.246 -2.196 1.00 0.00 C ATOM 966 O VAL D 28 -15.236 2.451 -1.980 1.00 0.00 O ATOM 967 CB VAL D 28 -13.074 2.231 -4.548 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.290 1.412 -5.013 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.679 3.129 -5.721 1.00 0.00 C ATOM 0 H VAL D 28 -11.254 3.277 -3.233 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.997 3.891 -3.554 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.272 1.548 -4.266 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.029 0.850 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.586 0.720 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.119 2.085 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.500 2.516 -6.604 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.484 3.835 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.771 3.677 -5.470 1.00 0.00 H new ATOM 979 N VAL D 29 -13.327 1.364 -1.482 1.00 0.00 N ATOM 980 CA VAL D 29 -13.917 0.507 -0.451 1.00 0.00 C ATOM 981 C VAL D 29 -14.684 1.327 0.592 1.00 0.00 C ATOM 982 O VAL D 29 -15.920 1.335 0.588 1.00 0.00 O ATOM 983 CB VAL D 29 -12.863 -0.435 0.173 1.00 0.00 C ATOM 984 CG1 VAL D 29 -13.513 -1.408 1.165 1.00 0.00 C ATOM 985 CG2 VAL D 29 -12.157 -1.285 -0.885 1.00 0.00 C ATOM 0 H VAL D 29 -12.324 1.226 -1.605 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.654 -0.137 -0.931 1.00 0.00 H new ATOM 0 HB VAL D 29 -12.144 0.213 0.674 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -12.749 -2.059 1.589 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -13.995 -0.845 1.964 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -14.258 -2.012 0.647 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.425 -1.932 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.891 -1.896 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.651 -0.633 -1.597 1.00 0.00 H new ATOM 995 N THR D 30 -13.994 2.077 1.449 1.00 0.00 N ATOM 996 CA THR D 30 -14.621 2.888 2.491 1.00 0.00 C ATOM 997 C THR D 30 -15.151 4.225 1.976 1.00 0.00 C ATOM 998 O THR D 30 -15.488 5.085 2.787 1.00 0.00 O ATOM 999 CB THR D 30 -13.648 3.038 3.670 1.00 0.00 C ATOM 1000 OG1 THR D 30 -12.400 3.555 3.250 1.00 0.00 O ATOM 1001 CG2 THR D 30 -13.444 1.684 4.354 1.00 0.00 C ATOM 0 H THR D 30 -12.976 2.140 1.440 1.00 0.00 H new ATOM 0 HA THR D 30 -15.512 2.368 2.843 1.00 0.00 H new ATOM 0 HB THR D 30 -14.085 3.744 4.377 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.804 3.640 4.023 1.00 0.00 H new ATOM 0 HG21 THR D 30 -12.753 1.799 5.189 1.00 0.00 H new ATOM 0 HG22 THR D 30 -14.401 1.315 4.723 1.00 0.00 H new ATOM 0 HG23 THR D 30 -13.033 0.973 3.638 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.281 4.416 0.656 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.748 5.654 0.029 1.00 0.00 C ATOM 1011 C ARG D 31 -15.060 6.850 0.697 1.00 0.00 C ATOM 1012 O ARG D 31 -15.707 7.796 1.150 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.284 5.700 -0.013 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.766 6.744 -1.030 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.293 6.800 -1.132 1.00 0.00 C ATOM 1016 NE ARG D 31 -19.703 7.143 -2.506 1.00 0.00 N ATOM 1017 CZ ARG D 31 -20.178 6.296 -3.424 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.339 5.011 -3.144 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -20.514 6.716 -4.635 1.00 0.00 N ATOM 0 H ARG D 31 -15.056 3.689 -0.023 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.458 5.698 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.675 4.718 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.673 5.941 0.976 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -17.388 7.726 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.348 6.513 -2.010 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.719 5.837 -0.848 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.684 7.540 -0.433 1.00 0.00 H new ATOM 0 HE ARG D 31 -19.616 8.121 -2.783 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.099 4.657 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -20.703 4.376 -3.855 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -20.412 7.701 -4.880 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -20.875 6.054 -5.322 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.737 6.742 0.831 1.00 0.00 N ATOM 1034 CA HIS D 32 -12.822 7.705 1.427 1.00 0.00 C ATOM 1035 C HIS D 32 -13.302 8.220 2.795 1.00 0.00 C ATOM 1036 O HIS D 32 -13.054 9.377 3.137 1.00 0.00 O ATOM 1037 CB HIS D 32 -12.508 8.819 0.407 1.00 0.00 C ATOM 1038 CG HIS D 32 -11.366 9.746 0.770 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -10.272 9.457 1.563 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -11.189 11.012 0.282 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -9.461 10.526 1.559 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -9.976 11.497 0.786 1.00 0.00 N ATOM 0 H HIS D 32 -13.244 5.913 0.499 1.00 0.00 H new ATOM 0 HA HIS D 32 -11.883 7.201 1.658 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -12.282 8.353 -0.552 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -13.407 9.419 0.266 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -11.864 11.542 -0.374 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -8.528 10.596 2.099 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -9.563 12.411 0.602 1.00 0.00 H new ATOM 1050 N ARG D 33 -13.939 7.383 3.630 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.410 7.811 4.954 1.00 0.00 C ATOM 1052 C ARG D 33 -13.271 8.431 5.758 1.00 0.00 C ATOM 1053 O ARG D 33 -13.404 9.555 6.245 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.048 6.648 5.738 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.567 6.554 5.519 1.00 0.00 C ATOM 1056 CD ARG D 33 -17.235 5.549 6.463 1.00 0.00 C ATOM 1057 NE ARG D 33 -16.561 4.238 6.452 1.00 0.00 N ATOM 1058 CZ ARG D 33 -17.080 3.055 6.118 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -18.237 2.947 5.477 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -16.400 1.963 6.430 1.00 0.00 N ATOM 0 H ARG D 33 -14.139 6.407 3.410 1.00 0.00 H new ATOM 0 HA ARG D 33 -15.180 8.566 4.795 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -14.582 5.711 5.435 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -14.845 6.776 6.801 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -17.013 7.537 5.666 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.765 6.265 4.487 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -17.231 5.949 7.477 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -18.278 5.421 6.175 1.00 0.00 H new ATOM 0 HE ARG D 33 -15.581 4.235 6.733 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -18.760 3.785 5.224 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -18.603 2.026 5.238 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -15.505 2.040 6.913 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -16.771 1.044 6.188 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.122 7.767 5.751 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.904 8.173 6.439 1.00 0.00 C ATOM 1076 C TYR D 34 -10.249 9.412 5.798 1.00 0.00 C ATOM 1077 O TYR D 34 -9.212 9.872 6.258 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.939 6.976 6.489 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.270 6.650 5.165 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -9.921 5.864 4.193 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -7.988 7.163 4.901 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -9.310 5.634 2.947 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -7.370 6.941 3.663 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.035 6.184 2.678 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.454 6.036 1.462 1.00 0.00 O ATOM 0 H TYR D 34 -12.009 6.890 5.242 1.00 0.00 H new ATOM 0 HA TYR D 34 -11.161 8.473 7.455 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.167 7.179 7.231 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -10.487 6.098 6.831 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -10.890 5.438 4.405 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.474 7.734 5.660 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -9.813 5.040 2.198 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -6.389 7.348 3.465 1.00 0.00 H new ATOM 0 HH TYR D 34 -8.063 6.361 0.767 1.00 0.00 H new