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= 0 X(o=0,f=-0.17) USER MOD Set 1.2: D 34 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: C 27 ASN : amide:sc= 0.0224 K(o=-0.096,f=1.3) USER MOD Set 2.2: C 32 HIS : no HD1:sc= -0.698 K(o=-0.096,f=1.3) USER MOD Set 2.3: C 34 TYR OH : rot 150:sc= 0.579 USER MOD Set 3.1: C 20 ASN : amide:sc= 0 X(o=0.43,f=0.2) USER MOD Set 3.2: C 23 GLN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : C 19 TYR OH : rot 180:sc= 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 -71:sc= 1.22 USER MOD Single : D 19 TYR OH : rot 14:sc= 1.27 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 23 GLN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot -70:sc= 1.06 USER MOD Single : D 32 HIS : no HD1:sc= -0.082 X(o=-0.082,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -6.248 -8.195 5.714 1.00 0.00 N ATOM 122 CA PRO C 11 -7.548 -7.632 6.044 1.00 0.00 C ATOM 123 C PRO C 11 -7.484 -6.111 5.910 1.00 0.00 C ATOM 124 O PRO C 11 -6.583 -5.477 6.469 1.00 0.00 O ATOM 125 CB PRO C 11 -7.856 -8.097 7.469 1.00 0.00 C ATOM 126 CG PRO C 11 -6.474 -8.356 8.071 1.00 0.00 C ATOM 127 CD PRO C 11 -5.668 -8.856 6.876 1.00 0.00 C ATOM 0 HA PRO C 11 -8.344 -7.962 5.376 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -8.401 -7.337 8.029 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -8.470 -8.998 7.473 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -6.043 -7.450 8.498 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -6.514 -9.097 8.870 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -4.612 -8.608 6.983 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -5.733 -9.940 6.784 1.00 0.00 H new ATOM 135 N VAL C 12 -8.475 -5.523 5.235 1.00 0.00 N ATOM 136 CA VAL C 12 -8.545 -4.082 5.010 1.00 0.00 C ATOM 137 C VAL C 12 -8.458 -3.302 6.323 1.00 0.00 C ATOM 138 O VAL C 12 -7.756 -2.302 6.383 1.00 0.00 O ATOM 139 CB VAL C 12 -9.781 -3.703 4.163 1.00 0.00 C ATOM 140 CG1 VAL C 12 -9.758 -4.436 2.813 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.130 -3.992 4.843 1.00 0.00 C ATOM 0 H VAL C 12 -9.255 -6.039 4.828 1.00 0.00 H new ATOM 0 HA VAL C 12 -7.672 -3.791 4.426 1.00 0.00 H new ATOM 0 HB VAL C 12 -9.707 -2.624 4.031 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -10.636 -4.156 2.232 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -8.857 -4.161 2.265 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -9.764 -5.513 2.983 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.943 -3.696 4.180 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -11.208 -5.058 5.059 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -11.197 -3.427 5.773 1.00 0.00 H new ATOM 151 N GLU C 13 -9.033 -3.816 7.414 1.00 0.00 N ATOM 152 CA GLU C 13 -9.015 -3.150 8.712 1.00 0.00 C ATOM 153 C GLU C 13 -7.594 -2.872 9.229 1.00 0.00 C ATOM 154 O GLU C 13 -7.407 -1.960 10.038 1.00 0.00 O ATOM 155 CB GLU C 13 -9.875 -3.977 9.670 1.00 0.00 C ATOM 156 CG GLU C 13 -10.022 -3.340 11.055 1.00 0.00 C ATOM 157 CD GLU C 13 -11.385 -3.626 11.675 1.00 0.00 C ATOM 158 OE1 GLU C 13 -11.885 -4.775 11.616 1.00 0.00 O ATOM 159 OE2 GLU C 13 -12.042 -2.651 12.118 1.00 0.00 O ATOM 0 H GLU C 13 -9.525 -4.709 7.418 1.00 0.00 H new ATOM 0 HA GLU C 13 -9.443 -2.152 8.623 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -10.864 -4.113 9.233 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.435 -4.968 9.778 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.239 -3.717 11.712 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -9.879 -2.262 10.975 1.00 0.00 H new ATOM 166 N ASP C 14 -6.601 -3.655 8.802 1.00 0.00 N ATOM 167 CA ASP C 14 -5.205 -3.472 9.190 1.00 0.00 C ATOM 168 C ASP C 14 -4.472 -2.762 8.055 1.00 0.00 C ATOM 169 O ASP C 14 -3.762 -1.785 8.293 1.00 0.00 O ATOM 170 CB ASP C 14 -4.535 -4.818 9.486 1.00 0.00 C ATOM 171 CG ASP C 14 -3.256 -4.610 10.299 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.379 -4.639 11.550 1.00 0.00 O ATOM 173 OD2 ASP C 14 -2.143 -4.609 9.726 1.00 0.00 O ATOM 0 H ASP C 14 -6.748 -4.442 8.170 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.162 -2.872 10.099 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.223 -5.460 10.036 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.301 -5.328 8.552 1.00 0.00 H new ATOM 178 N LEU C 15 -4.741 -3.189 6.812 1.00 0.00 N ATOM 179 CA LEU C 15 -4.145 -2.653 5.593 1.00 0.00 C ATOM 180 C LEU C 15 -4.401 -1.153 5.448 1.00 0.00 C ATOM 181 O LEU C 15 -3.510 -0.455 4.988 1.00 0.00 O ATOM 182 CB LEU C 15 -4.649 -3.425 4.359 1.00 0.00 C ATOM 183 CG LEU C 15 -3.706 -3.334 3.140 1.00 0.00 C ATOM 184 CD1 LEU C 15 -2.409 -4.139 3.309 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.413 -3.902 1.906 1.00 0.00 C ATOM 0 H LEU C 15 -5.403 -3.943 6.629 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.066 -2.788 5.665 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -4.781 -4.473 4.627 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -5.630 -3.042 4.078 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.454 -2.279 3.036 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -1.794 -4.030 2.416 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -1.860 -3.768 4.175 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -2.651 -5.192 3.457 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -3.748 -3.838 1.044 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -4.676 -4.944 2.085 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.318 -3.328 1.709 1.00 0.00 H new ATOM 197 N ILE C 16 -5.552 -0.634 5.883 1.00 0.00 N ATOM 198 CA ILE C 16 -5.907 0.785 5.816 1.00 0.00 C ATOM 199 C ILE C 16 -4.896 1.588 6.640 1.00 0.00 C ATOM 200 O ILE C 16 -4.395 2.618 6.186 1.00 0.00 O ATOM 201 CB ILE C 16 -7.360 0.981 6.331 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.378 0.460 5.294 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.707 2.450 6.659 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.739 0.113 5.917 1.00 0.00 C ATOM 0 H ILE C 16 -6.284 -1.207 6.304 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.870 1.143 4.787 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.420 0.410 7.258 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.520 1.214 4.520 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -7.971 -0.425 4.805 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.736 2.511 7.013 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.035 2.818 7.434 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.595 3.059 5.762 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.413 -0.248 5.140 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.607 -0.662 6.672 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.164 1.003 6.382 1.00 0.00 H new ATOM 216 N ARG C 17 -4.680 1.191 7.895 1.00 0.00 N ATOM 217 CA ARG C 17 -3.758 1.867 8.800 1.00 0.00 C ATOM 218 C ARG C 17 -2.343 1.749 8.263 1.00 0.00 C ATOM 219 O ARG C 17 -1.699 2.759 7.984 1.00 0.00 O ATOM 220 CB ARG C 17 -3.898 1.239 10.199 1.00 0.00 C ATOM 221 CG ARG C 17 -3.476 2.166 11.340 1.00 0.00 C ATOM 222 CD ARG C 17 -4.446 3.344 11.461 1.00 0.00 C ATOM 223 NE ARG C 17 -4.326 4.001 12.769 1.00 0.00 N ATOM 224 CZ ARG C 17 -5.330 4.359 13.575 1.00 0.00 C ATOM 225 NH1 ARG C 17 -6.593 4.060 13.277 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.080 4.994 14.711 1.00 0.00 N ATOM 0 H ARG C 17 -5.145 0.385 8.312 1.00 0.00 H new ATOM 0 HA ARG C 17 -3.992 2.929 8.874 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -4.936 0.941 10.351 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.297 0.331 10.241 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -3.451 1.610 12.277 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -2.466 2.536 11.161 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -4.246 4.066 10.669 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -5.468 2.992 11.321 1.00 0.00 H new ATOM 0 HE ARG C 17 -3.381 4.205 13.095 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -6.808 3.549 12.421 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.346 4.342 13.905 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.118 5.211 14.973 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -5.849 5.266 15.323 1.00 0.00 H new ATOM 240 N PHE C 18 -1.931 0.507 8.023 1.00 0.00 N ATOM 241 CA PHE C 18 -0.630 0.146 7.509 1.00 0.00 C ATOM 242 C PHE C 18 -0.287 0.930 6.248 1.00 0.00 C ATOM 243 O PHE C 18 0.791 1.502 6.193 1.00 0.00 O ATOM 244 CB PHE C 18 -0.617 -1.366 7.269 1.00 0.00 C ATOM 245 CG PHE C 18 0.422 -1.831 6.275 1.00 0.00 C ATOM 246 CD1 PHE C 18 1.763 -2.000 6.663 1.00 0.00 C ATOM 247 CD2 PHE C 18 0.041 -2.038 4.936 1.00 0.00 C ATOM 248 CE1 PHE C 18 2.720 -2.381 5.709 1.00 0.00 C ATOM 249 CE2 PHE C 18 0.991 -2.441 3.988 1.00 0.00 C ATOM 250 CZ PHE C 18 2.329 -2.602 4.379 1.00 0.00 C ATOM 0 H PHE C 18 -2.527 -0.304 8.191 1.00 0.00 H new ATOM 0 HA PHE C 18 0.141 0.404 8.235 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -0.445 -1.871 8.219 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -1.602 -1.674 6.918 1.00 0.00 H new ATOM 0 HD1 PHE C 18 2.055 -1.837 7.690 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -0.986 -1.886 4.638 1.00 0.00 H new ATOM 0 HE1 PHE C 18 3.754 -2.504 5.997 1.00 0.00 H new ATOM 0 HE2 PHE C 18 0.696 -2.626 2.966 1.00 0.00 H new ATOM 0 HZ PHE C 18 3.067 -2.899 3.648 1.00 0.00 H new ATOM 260 N TYR C 19 -1.203 1.039 5.283 1.00 0.00 N ATOM 261 CA TYR C 19 -1.016 1.744 4.021 1.00 0.00 C ATOM 262 C TYR C 19 -0.481 3.164 4.217 1.00 0.00 C ATOM 263 O TYR C 19 0.298 3.644 3.389 1.00 0.00 O ATOM 264 CB TYR C 19 -2.356 1.761 3.260 1.00 0.00 C ATOM 265 CG TYR C 19 -2.397 2.697 2.071 1.00 0.00 C ATOM 266 CD1 TYR C 19 -2.739 4.050 2.261 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.058 2.226 0.791 1.00 0.00 C ATOM 268 CE1 TYR C 19 -2.681 4.950 1.187 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.009 3.125 -0.293 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.300 4.492 -0.093 1.00 0.00 C ATOM 271 OH TYR C 19 -2.184 5.368 -1.126 1.00 0.00 O ATOM 0 H TYR C 19 -2.130 0.621 5.366 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.262 1.214 3.439 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.576 0.750 2.917 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.149 2.042 3.954 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -3.047 4.396 3.237 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -1.836 1.180 0.639 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -2.927 5.991 1.339 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -1.748 2.768 -1.278 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.912 4.886 -1.935 1.00 0.00 H new ATOM 281 N ASN C 20 -0.967 3.859 5.244 1.00 0.00 N ATOM 282 CA ASN C 20 -0.568 5.222 5.552 1.00 0.00 C ATOM 283 C ASN C 20 0.846 5.248 6.120 1.00 0.00 C ATOM 284 O ASN C 20 1.707 5.898 5.532 1.00 0.00 O ATOM 285 CB ASN C 20 -1.592 5.847 6.520 1.00 0.00 C ATOM 286 CG ASN C 20 -2.030 7.229 6.056 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.214 8.107 5.769 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.320 7.422 5.851 1.00 0.00 N ATOM 0 H ASN C 20 -1.659 3.481 5.892 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.555 5.818 4.640 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.463 5.196 6.599 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.155 5.918 7.516 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.647 8.302 5.453 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.990 6.691 6.091 1.00 0.00 H new ATOM 295 N ASP C 21 1.099 4.492 7.195 1.00 0.00 N ATOM 296 CA ASP C 21 2.402 4.404 7.872 1.00 0.00 C ATOM 297 C ASP C 21 3.494 3.904 6.933 1.00 0.00 C ATOM 298 O ASP C 21 4.654 4.324 7.003 1.00 0.00 O ATOM 299 CB ASP C 21 2.317 3.429 9.051 1.00 0.00 C ATOM 300 CG ASP C 21 1.648 4.068 10.253 1.00 0.00 C ATOM 301 OD1 ASP C 21 2.360 4.684 11.077 1.00 0.00 O ATOM 302 OD2 ASP C 21 0.442 3.810 10.465 1.00 0.00 O ATOM 0 H ASP C 21 0.385 3.908 7.631 1.00 0.00 H new ATOM 0 HA ASP C 21 2.652 5.409 8.213 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.759 2.542 8.751 1.00 0.00 H new ATOM 0 HB3 ASP C 21 3.319 3.098 9.324 1.00 0.00 H new ATOM 307 N LEU C 22 3.106 2.999 6.039 1.00 0.00 N ATOM 308 CA LEU C 22 3.921 2.362 5.027 1.00 0.00 C ATOM 309 C LEU C 22 4.602 3.406 4.155 1.00 0.00 C ATOM 310 O LEU C 22 5.688 3.115 3.668 1.00 0.00 O ATOM 311 CB LEU C 22 3.022 1.428 4.193 1.00 0.00 C ATOM 312 CG LEU C 22 3.551 1.012 2.813 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.804 0.138 2.898 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.470 0.244 2.048 1.00 0.00 C ATOM 0 H LEU C 22 2.140 2.672 6.007 1.00 0.00 H new ATOM 0 HA LEU C 22 4.710 1.774 5.496 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.839 0.524 4.774 1.00 0.00 H new ATOM 0 HB3 LEU C 22 2.058 1.918 4.054 1.00 0.00 H new ATOM 0 HG LEU C 22 3.817 1.932 2.292 1.00 0.00 H new ATOM 0 HD11 LEU C 22 5.133 -0.125 1.893 1.00 0.00 H new ATOM 0 HD12 LEU C 22 5.597 0.687 3.407 1.00 0.00 H new ATOM 0 HD13 LEU C 22 4.577 -0.771 3.455 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.854 -0.047 1.070 1.00 0.00 H new ATOM 0 HD22 LEU C 22 2.192 -0.648 2.609 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.594 0.880 1.919 1.00 0.00 H new ATOM 326 N GLN C 23 4.056 4.615 3.994 1.00 0.00 N ATOM 327 CA GLN C 23 4.682 5.631 3.160 1.00 0.00 C ATOM 328 C GLN C 23 6.144 5.872 3.568 1.00 0.00 C ATOM 329 O GLN C 23 7.028 5.895 2.711 1.00 0.00 O ATOM 330 CB GLN C 23 3.826 6.907 3.149 1.00 0.00 C ATOM 331 CG GLN C 23 3.978 7.818 4.376 1.00 0.00 C ATOM 332 CD GLN C 23 2.993 8.969 4.281 1.00 0.00 C ATOM 333 OE1 GLN C 23 3.295 9.988 3.659 1.00 0.00 O ATOM 334 NE2 GLN C 23 1.749 8.746 4.653 1.00 0.00 N ATOM 0 H GLN C 23 3.183 4.909 4.432 1.00 0.00 H new ATOM 0 HA GLN C 23 4.726 5.273 2.131 1.00 0.00 H new ATOM 0 HB2 GLN C 23 4.076 7.483 2.258 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.778 6.620 3.060 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.801 7.249 5.288 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.997 8.202 4.433 1.00 0.00 H new ATOM 0 HE21 GLN C 23 1.515 7.897 5.168 1.00 0.00 H new ATOM 0 HE22 GLN C 23 1.020 9.422 4.426 1.00 0.00 H new ATOM 343 N GLN C 24 6.430 5.959 4.874 1.00 0.00 N ATOM 344 CA GLN C 24 7.790 6.186 5.346 1.00 0.00 C ATOM 345 C GLN C 24 8.635 4.909 5.304 1.00 0.00 C ATOM 346 O GLN C 24 9.859 5.005 5.385 1.00 0.00 O ATOM 347 CB GLN C 24 7.784 6.848 6.730 1.00 0.00 C ATOM 348 CG GLN C 24 7.202 8.273 6.660 1.00 0.00 C ATOM 349 CD GLN C 24 7.967 9.240 7.556 1.00 0.00 C ATOM 350 OE1 GLN C 24 7.581 9.493 8.695 1.00 0.00 O ATOM 351 NE2 GLN C 24 9.075 9.786 7.081 1.00 0.00 N ATOM 0 H GLN C 24 5.735 5.875 5.616 1.00 0.00 H new ATOM 0 HA GLN C 24 8.271 6.882 4.659 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.196 6.245 7.422 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.800 6.886 7.123 1.00 0.00 H new ATOM 0 HG2 GLN C 24 7.234 8.629 5.630 1.00 0.00 H new ATOM 0 HG3 GLN C 24 6.154 8.253 6.958 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.385 9.568 6.134 1.00 0.00 H new ATOM 0 HE22 GLN C 24 9.619 10.424 7.662 1.00 0.00 H new ATOM 360 N TYR C 25 8.028 3.722 5.234 1.00 0.00 N ATOM 361 CA TYR C 25 8.750 2.453 5.151 1.00 0.00 C ATOM 362 C TYR C 25 9.168 2.256 3.694 1.00 0.00 C ATOM 363 O TYR C 25 10.333 1.968 3.417 1.00 0.00 O ATOM 364 CB TYR C 25 7.870 1.298 5.643 1.00 0.00 C ATOM 365 CG TYR C 25 8.418 -0.108 5.439 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.795 -0.391 5.559 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.514 -1.161 5.202 1.00 0.00 C ATOM 368 CE1 TYR C 25 10.253 -1.719 5.536 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.964 -2.490 5.161 1.00 0.00 C ATOM 370 CZ TYR C 25 9.329 -2.774 5.388 1.00 0.00 C ATOM 371 OH TYR C 25 9.733 -4.060 5.563 1.00 0.00 O ATOM 0 H TYR C 25 7.014 3.615 5.233 1.00 0.00 H new ATOM 0 HA TYR C 25 9.633 2.469 5.791 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.684 1.440 6.707 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.906 1.365 5.139 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.501 0.418 5.669 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.467 -0.945 5.051 1.00 0.00 H new ATOM 0 HE1 TYR C 25 11.308 -1.931 5.631 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.270 -3.292 4.957 1.00 0.00 H new ATOM 0 HH TYR C 25 8.973 -4.663 5.426 1.00 0.00 H new ATOM 381 N LEU C 26 8.244 2.495 2.755 1.00 0.00 N ATOM 382 CA LEU C 26 8.451 2.393 1.312 1.00 0.00 C ATOM 383 C LEU C 26 9.608 3.315 0.933 1.00 0.00 C ATOM 384 O LEU C 26 10.461 2.964 0.111 1.00 0.00 O ATOM 385 CB LEU C 26 7.160 2.796 0.564 1.00 0.00 C ATOM 386 CG LEU C 26 6.724 1.747 -0.466 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.332 2.071 -1.014 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.713 1.620 -1.626 1.00 0.00 C ATOM 0 H LEU C 26 7.293 2.776 2.994 1.00 0.00 H new ATOM 0 HA LEU C 26 8.692 1.368 1.032 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.358 2.946 1.286 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.319 3.750 0.061 1.00 0.00 H new ATOM 0 HG LEU C 26 6.699 0.791 0.057 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.043 1.314 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.612 2.081 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.349 3.049 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.357 0.864 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.798 2.578 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.690 1.327 -1.241 1.00 0.00 H new ATOM 400 N ASN C 27 9.701 4.446 1.640 1.00 0.00 N ATOM 401 CA ASN C 27 10.728 5.453 1.479 1.00 0.00 C ATOM 402 C ASN C 27 12.111 4.847 1.694 1.00 0.00 C ATOM 403 O ASN C 27 13.018 5.178 0.945 1.00 0.00 O ATOM 404 CB ASN C 27 10.509 6.593 2.473 1.00 0.00 C ATOM 405 CG ASN C 27 11.215 7.842 1.992 1.00 0.00 C ATOM 406 OD1 ASN C 27 12.349 8.121 2.366 1.00 0.00 O ATOM 407 ND2 ASN C 27 10.519 8.647 1.213 1.00 0.00 N ATOM 0 H ASN C 27 9.028 4.685 2.369 1.00 0.00 H new ATOM 0 HA ASN C 27 10.667 5.844 0.463 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.443 6.789 2.585 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.886 6.308 3.455 1.00 0.00 H new ATOM 0 HD21 ASN C 27 10.922 9.532 0.904 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.578 8.385 0.920 1.00 0.00 H new ATOM 414 N VAL C 28 12.282 3.959 2.680 1.00 0.00 N ATOM 415 CA VAL C 28 13.550 3.294 2.978 1.00 0.00 C ATOM 416 C VAL C 28 13.862 2.310 1.856 1.00 0.00 C ATOM 417 O VAL C 28 14.927 2.373 1.245 1.00 0.00 O ATOM 418 CB VAL C 28 13.476 2.517 4.318 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.832 1.901 4.686 1.00 0.00 C ATOM 420 CG2 VAL C 28 13.009 3.373 5.495 1.00 0.00 C ATOM 0 H VAL C 28 11.526 3.679 3.304 1.00 0.00 H new ATOM 0 HA VAL C 28 14.329 4.052 3.061 1.00 0.00 H new ATOM 0 HB VAL C 28 12.735 1.736 4.145 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.743 1.364 5.630 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.142 1.209 3.903 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.576 2.692 4.787 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.981 2.765 6.399 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.700 4.203 5.638 1.00 0.00 H new ATOM 0 HG23 VAL C 28 12.012 3.762 5.289 1.00 0.00 H new ATOM 430 N VAL C 29 12.906 1.425 1.564 1.00 0.00 N ATOM 431 CA VAL C 29 12.989 0.377 0.555 1.00 0.00 C ATOM 432 C VAL C 29 13.361 0.922 -0.831 1.00 0.00 C ATOM 433 O VAL C 29 14.052 0.230 -1.585 1.00 0.00 O ATOM 434 CB VAL C 29 11.662 -0.417 0.577 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.635 -1.557 -0.446 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.424 -1.039 1.966 1.00 0.00 C ATOM 0 H VAL C 29 12.010 1.423 2.052 1.00 0.00 H new ATOM 0 HA VAL C 29 13.806 -0.304 0.793 1.00 0.00 H new ATOM 0 HB VAL C 29 10.883 0.304 0.328 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.680 -2.078 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL C 29 11.762 -1.149 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL C 29 12.444 -2.256 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.485 -1.593 1.960 1.00 0.00 H new ATOM 0 HG22 VAL C 29 12.244 -1.716 2.207 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.374 -0.249 2.715 1.00 0.00 H new ATOM 446 N THR C 30 13.100 2.200 -1.107 1.00 0.00 N ATOM 447 CA THR C 30 13.394 2.841 -2.387 1.00 0.00 C ATOM 448 C THR C 30 14.284 4.071 -2.261 1.00 0.00 C ATOM 449 O THR C 30 14.552 4.747 -3.252 1.00 0.00 O ATOM 450 CB THR C 30 12.060 3.248 -3.024 1.00 0.00 C ATOM 451 OG1 THR C 30 11.365 4.131 -2.165 1.00 0.00 O ATOM 452 CG2 THR C 30 11.164 2.048 -3.302 1.00 0.00 C ATOM 0 H THR C 30 12.669 2.831 -0.432 1.00 0.00 H new ATOM 0 HA THR C 30 13.943 2.126 -2.999 1.00 0.00 H new ATOM 0 HB THR C 30 12.296 3.732 -3.972 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.040 3.638 -1.383 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.231 2.387 -3.753 1.00 0.00 H new ATOM 0 HG22 THR C 30 11.671 1.366 -3.985 1.00 0.00 H new ATOM 0 HG23 THR C 30 10.948 1.531 -2.367 1.00 0.00 H new ATOM 460 N ARG C 31 14.741 4.395 -1.057 1.00 0.00 N ATOM 461 CA ARG C 31 15.556 5.547 -0.726 1.00 0.00 C ATOM 462 C ARG C 31 14.952 6.840 -1.311 1.00 0.00 C ATOM 463 O ARG C 31 15.687 7.672 -1.840 1.00 0.00 O ATOM 464 CB ARG C 31 16.987 5.266 -1.155 1.00 0.00 C ATOM 465 CG ARG C 31 17.542 3.893 -0.763 1.00 0.00 C ATOM 466 CD ARG C 31 19.012 3.864 -1.174 1.00 0.00 C ATOM 467 NE ARG C 31 19.591 2.522 -1.081 1.00 0.00 N ATOM 468 CZ ARG C 31 20.032 1.915 0.018 1.00 0.00 C ATOM 469 NH1 ARG C 31 19.749 2.389 1.226 1.00 0.00 N ATOM 470 NH2 ARG C 31 20.782 0.831 -0.118 1.00 0.00 N ATOM 0 H ARG C 31 14.537 3.822 -0.239 1.00 0.00 H new ATOM 0 HA ARG C 31 15.571 5.718 0.350 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.048 5.366 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.632 6.034 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG C 31 17.440 3.729 0.310 1.00 0.00 H new ATOM 0 HG3 ARG C 31 16.988 3.098 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.108 4.228 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.578 4.546 -0.539 1.00 0.00 H new ATOM 0 HE ARG C 31 19.664 1.996 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG C 31 19.184 3.233 1.323 1.00 0.00 H new ATOM 0 HH12 ARG C 31 20.096 1.909 2.056 1.00 0.00 H new ATOM 0 HH21 ARG C 31 21.008 0.481 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG C 31 21.133 0.347 0.708 1.00 0.00 H new ATOM 484 N HIS C 32 13.615 6.953 -1.288 1.00 0.00 N ATOM 485 CA HIS C 32 12.791 8.064 -1.778 1.00 0.00 C ATOM 486 C HIS C 32 12.766 8.207 -3.315 1.00 0.00 C ATOM 487 O HIS C 32 12.246 9.207 -3.815 1.00 0.00 O ATOM 488 CB HIS C 32 13.189 9.374 -1.057 1.00 0.00 C ATOM 489 CG HIS C 32 12.207 10.525 -1.134 1.00 0.00 C ATOM 490 ND1 HIS C 32 12.526 11.850 -0.925 1.00 0.00 N ATOM 491 CD2 HIS C 32 10.858 10.463 -1.369 1.00 0.00 C ATOM 492 CE1 HIS C 32 11.397 12.569 -1.005 1.00 0.00 C ATOM 493 NE2 HIS C 32 10.353 11.765 -1.283 1.00 0.00 N ATOM 0 H HIS C 32 13.038 6.209 -0.894 1.00 0.00 H new ATOM 0 HA HIS C 32 11.757 7.829 -1.526 1.00 0.00 H new ATOM 0 HB2 HIS C 32 13.360 9.144 -0.005 1.00 0.00 H new ATOM 0 HB3 HIS C 32 14.140 9.712 -1.468 1.00 0.00 H new ATOM 0 HD2 HIS C 32 10.288 9.571 -1.582 1.00 0.00 H new ATOM 0 HE1 HIS C 32 11.334 13.638 -0.867 1.00 0.00 H new ATOM 0 HE2 HIS C 32 9.382 12.050 -1.407 1.00 0.00 H new ATOM 501 N ARG C 33 13.155 7.184 -4.090 1.00 0.00 N ATOM 502 CA ARG C 33 13.191 7.226 -5.563 1.00 0.00 C ATOM 503 C ARG C 33 11.911 7.689 -6.252 1.00 0.00 C ATOM 504 O ARG C 33 11.999 8.311 -7.311 1.00 0.00 O ATOM 505 CB ARG C 33 13.646 5.864 -6.129 1.00 0.00 C ATOM 506 CG ARG C 33 14.237 5.927 -7.547 1.00 0.00 C ATOM 507 CD ARG C 33 13.238 5.702 -8.682 1.00 0.00 C ATOM 508 NE ARG C 33 12.964 4.278 -8.932 1.00 0.00 N ATOM 509 CZ ARG C 33 13.054 3.678 -10.123 1.00 0.00 C ATOM 510 NH1 ARG C 33 13.830 4.178 -11.080 1.00 0.00 N ATOM 511 NH2 ARG C 33 12.332 2.599 -10.375 1.00 0.00 N ATOM 0 H ARG C 33 13.459 6.289 -3.707 1.00 0.00 H new ATOM 0 HA ARG C 33 13.919 8.004 -5.795 1.00 0.00 H new ATOM 0 HB2 ARG C 33 14.391 5.437 -5.458 1.00 0.00 H new ATOM 0 HB3 ARG C 33 12.794 5.184 -6.134 1.00 0.00 H new ATOM 0 HG2 ARG C 33 14.705 6.902 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.027 5.180 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG C 33 12.304 6.210 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG C 33 13.624 6.158 -9.594 1.00 0.00 H new ATOM 0 HE ARG C 33 12.684 3.705 -8.136 1.00 0.00 H new ATOM 0 HH11 ARG C 33 14.366 5.029 -10.910 1.00 0.00 H new ATOM 0 HH12 ARG C 33 13.890 3.710 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG C 33 11.707 2.225 -9.661 1.00 0.00 H new ATOM 0 HH22 ARG C 33 12.400 2.141 -11.284 1.00 0.00 H new ATOM 525 N TYR C 34 10.750 7.324 -5.712 1.00 0.00 N ATOM 526 CA TYR C 34 9.457 7.692 -6.282 1.00 0.00 C ATOM 527 C TYR C 34 9.218 9.202 -6.235 1.00 0.00 C ATOM 528 O TYR C 34 8.438 9.730 -7.017 1.00 0.00 O ATOM 529 CB TYR C 34 8.322 6.929 -5.577 1.00 0.00 C ATOM 530 CG TYR C 34 8.314 7.013 -4.058 1.00 0.00 C ATOM 531 CD1 TYR C 34 7.761 8.134 -3.407 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.832 5.952 -3.291 1.00 0.00 C ATOM 533 CE1 TYR C 34 7.745 8.203 -2.003 1.00 0.00 C ATOM 534 CE2 TYR C 34 8.812 6.018 -1.888 1.00 0.00 C ATOM 535 CZ TYR C 34 8.275 7.145 -1.236 1.00 0.00 C ATOM 536 OH TYR C 34 8.255 7.182 0.121 1.00 0.00 O ATOM 0 H TYR C 34 10.680 6.762 -4.863 1.00 0.00 H new ATOM 0 HA TYR C 34 9.467 7.406 -7.334 1.00 0.00 H new ATOM 0 HB2 TYR C 34 7.370 7.307 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR C 34 8.382 5.879 -5.864 1.00 0.00 H new ATOM 0 HD1 TYR C 34 7.348 8.944 -3.990 1.00 0.00 H new ATOM 0 HD2 TYR C 34 9.246 5.084 -3.783 1.00 0.00 H new ATOM 0 HE1 TYR C 34 7.326 9.068 -1.511 1.00 0.00 H new ATOM 0 HE2 TYR C 34 9.211 5.200 -1.306 1.00 0.00 H new ATOM 0 HH TYR C 34 8.195 6.269 0.472 1.00 0.00 H new ATOM 670 N PRO D 11 6.298 -8.204 -6.185 1.00 0.00 N ATOM 671 CA PRO D 11 7.646 -7.737 -5.896 1.00 0.00 C ATOM 672 C PRO D 11 7.607 -6.246 -5.568 1.00 0.00 C ATOM 673 O PRO D 11 6.778 -5.514 -6.114 1.00 0.00 O ATOM 674 CB PRO D 11 8.439 -8.003 -7.178 1.00 0.00 C ATOM 675 CG PRO D 11 7.391 -7.843 -8.277 1.00 0.00 C ATOM 676 CD PRO D 11 6.105 -8.344 -7.621 1.00 0.00 C ATOM 0 HA PRO D 11 8.098 -8.239 -5.040 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.259 -7.295 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO D 11 8.876 -9.001 -7.181 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.300 -6.805 -8.597 1.00 0.00 H new ATOM 0 HG3 PRO D 11 7.644 -8.428 -9.161 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.246 -7.763 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO D 11 5.911 -9.383 -7.888 1.00 0.00 H new ATOM 684 N VAL D 12 8.599 -5.765 -4.813 1.00 0.00 N ATOM 685 CA VAL D 12 8.677 -4.361 -4.421 1.00 0.00 C ATOM 686 C VAL D 12 8.685 -3.420 -5.630 1.00 0.00 C ATOM 687 O VAL D 12 8.045 -2.377 -5.571 1.00 0.00 O ATOM 688 CB VAL D 12 9.868 -4.094 -3.475 1.00 0.00 C ATOM 689 CG1 VAL D 12 9.714 -4.843 -2.146 1.00 0.00 C ATOM 690 CG2 VAL D 12 11.230 -4.469 -4.065 1.00 0.00 C ATOM 0 H VAL D 12 9.366 -6.337 -4.459 1.00 0.00 H new ATOM 0 HA VAL D 12 7.768 -4.141 -3.861 1.00 0.00 H new ATOM 0 HB VAL D 12 9.847 -3.015 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL D 12 10.571 -4.630 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL D 12 8.801 -4.517 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL D 12 9.661 -5.915 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL D 12 12.013 -4.251 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL D 12 11.243 -5.532 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL D 12 11.405 -3.891 -4.972 1.00 0.00 H new ATOM 700 N GLU D 13 9.359 -3.777 -6.729 1.00 0.00 N ATOM 701 CA GLU D 13 9.435 -2.940 -7.922 1.00 0.00 C ATOM 702 C GLU D 13 8.048 -2.612 -8.480 1.00 0.00 C ATOM 703 O GLU D 13 7.799 -1.457 -8.827 1.00 0.00 O ATOM 704 CB GLU D 13 10.346 -3.616 -8.952 1.00 0.00 C ATOM 705 CG GLU D 13 10.448 -2.804 -10.251 1.00 0.00 C ATOM 706 CD GLU D 13 11.528 -3.323 -11.201 1.00 0.00 C ATOM 707 OE1 GLU D 13 11.393 -4.454 -11.715 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.622 -2.708 -11.243 1.00 0.00 O ATOM 0 H GLU D 13 9.867 -4.658 -6.812 1.00 0.00 H new ATOM 0 HA GLU D 13 9.873 -1.977 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.341 -3.745 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.963 -4.612 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU D 13 9.485 -2.823 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.658 -1.763 -10.006 1.00 0.00 H new ATOM 715 N ASP D 14 7.181 -3.612 -8.641 1.00 0.00 N ATOM 716 CA ASP D 14 5.835 -3.376 -9.157 1.00 0.00 C ATOM 717 C ASP D 14 4.966 -2.734 -8.080 1.00 0.00 C ATOM 718 O ASP D 14 4.248 -1.777 -8.358 1.00 0.00 O ATOM 719 CB ASP D 14 5.181 -4.670 -9.641 1.00 0.00 C ATOM 720 CG ASP D 14 3.831 -4.348 -10.288 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.806 -3.512 -11.225 1.00 0.00 O ATOM 722 OD2 ASP D 14 2.837 -4.994 -9.899 1.00 0.00 O ATOM 0 H ASP D 14 7.386 -4.587 -8.423 1.00 0.00 H new ATOM 0 HA ASP D 14 5.922 -2.702 -10.009 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.830 -5.172 -10.359 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.041 -5.355 -8.804 1.00 0.00 H new ATOM 727 N LEU D 15 5.126 -3.181 -6.828 1.00 0.00 N ATOM 728 CA LEU D 15 4.396 -2.707 -5.656 1.00 0.00 C ATOM 729 C LEU D 15 4.532 -1.193 -5.470 1.00 0.00 C ATOM 730 O LEU D 15 3.590 -0.563 -5.003 1.00 0.00 O ATOM 731 CB LEU D 15 4.855 -3.496 -4.425 1.00 0.00 C ATOM 732 CG LEU D 15 3.890 -3.377 -3.239 1.00 0.00 C ATOM 733 CD1 LEU D 15 2.603 -4.191 -3.412 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.598 -3.898 -1.991 1.00 0.00 C ATOM 0 H LEU D 15 5.797 -3.914 -6.599 1.00 0.00 H new ATOM 0 HA LEU D 15 3.331 -2.886 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU D 15 4.963 -4.547 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.840 -3.142 -4.121 1.00 0.00 H new ATOM 0 HG LEU D 15 3.610 -2.326 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU D 15 1.969 -4.059 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.072 -3.847 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU D 15 2.852 -5.246 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU D 15 3.928 -3.822 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.879 -4.940 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.493 -3.304 -1.806 1.00 0.00 H new ATOM 746 N ILE D 16 5.658 -0.585 -5.849 1.00 0.00 N ATOM 747 CA ILE D 16 5.869 0.861 -5.735 1.00 0.00 C ATOM 748 C ILE D 16 4.862 1.574 -6.643 1.00 0.00 C ATOM 749 O ILE D 16 4.175 2.499 -6.200 1.00 0.00 O ATOM 750 CB ILE D 16 7.326 1.196 -6.126 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.293 0.668 -5.050 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.628 2.694 -6.327 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.659 0.323 -5.641 1.00 0.00 C ATOM 0 H ILE D 16 6.454 -1.084 -6.246 1.00 0.00 H new ATOM 0 HA ILE D 16 5.712 1.199 -4.711 1.00 0.00 H new ATOM 0 HB ILE D 16 7.466 0.711 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.413 1.418 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE D 16 7.866 -0.217 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.676 2.821 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE D 16 6.997 3.089 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.425 3.233 -5.402 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.314 -0.046 -4.852 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.541 -0.446 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.097 1.215 -6.089 1.00 0.00 H new ATOM 765 N ARG D 17 4.824 1.184 -7.921 1.00 0.00 N ATOM 766 CA ARG D 17 3.937 1.754 -8.928 1.00 0.00 C ATOM 767 C ARG D 17 2.487 1.489 -8.529 1.00 0.00 C ATOM 768 O ARG D 17 1.679 2.414 -8.454 1.00 0.00 O ATOM 769 CB ARG D 17 4.291 1.131 -10.292 1.00 0.00 C ATOM 770 CG ARG D 17 3.876 1.988 -11.490 1.00 0.00 C ATOM 771 CD ARG D 17 4.926 3.057 -11.791 1.00 0.00 C ATOM 772 NE ARG D 17 4.654 3.715 -13.075 1.00 0.00 N ATOM 773 CZ ARG D 17 5.457 3.807 -14.145 1.00 0.00 C ATOM 774 NH1 ARG D 17 6.663 3.247 -14.142 1.00 0.00 N ATOM 775 NH2 ARG D 17 5.041 4.478 -15.212 1.00 0.00 N ATOM 0 H ARG D 17 5.425 0.446 -8.288 1.00 0.00 H new ATOM 0 HA ARG D 17 4.061 2.834 -9.002 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.367 0.961 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.810 0.156 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.738 1.353 -12.365 1.00 0.00 H new ATOM 0 HG3 ARG D 17 2.916 2.463 -11.286 1.00 0.00 H new ATOM 0 HD2 ARG D 17 4.934 3.799 -10.993 1.00 0.00 H new ATOM 0 HD3 ARG D 17 5.917 2.603 -11.814 1.00 0.00 H new ATOM 0 HE ARG D 17 3.739 4.158 -13.164 1.00 0.00 H new ATOM 0 HH11 ARG D 17 6.988 2.740 -13.319 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.263 3.325 -14.963 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.120 4.916 -15.212 1.00 0.00 H new ATOM 0 HH22 ARG D 17 5.642 4.555 -16.032 1.00 0.00 H new ATOM 789 N PHE D 18 2.206 0.245 -8.141 1.00 0.00 N ATOM 790 CA PHE D 18 0.906 -0.238 -7.707 1.00 0.00 C ATOM 791 C PHE D 18 0.384 0.584 -6.526 1.00 0.00 C ATOM 792 O PHE D 18 -0.792 0.943 -6.520 1.00 0.00 O ATOM 793 CB PHE D 18 1.042 -1.738 -7.384 1.00 0.00 C ATOM 794 CG PHE D 18 0.108 -2.290 -6.325 1.00 0.00 C ATOM 795 CD1 PHE D 18 0.367 -2.052 -4.960 1.00 0.00 C ATOM 796 CD2 PHE D 18 -1.004 -3.065 -6.694 1.00 0.00 C ATOM 797 CE1 PHE D 18 -0.528 -2.497 -3.979 1.00 0.00 C ATOM 798 CE2 PHE D 18 -1.887 -3.538 -5.711 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.673 -3.209 -4.363 1.00 0.00 C ATOM 0 H PHE D 18 2.918 -0.485 -8.122 1.00 0.00 H new ATOM 0 HA PHE D 18 0.164 -0.117 -8.496 1.00 0.00 H new ATOM 0 HB2 PHE D 18 0.885 -2.301 -8.304 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.067 -1.927 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE D 18 1.262 -1.523 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -1.179 -3.297 -7.734 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -0.338 -2.293 -2.936 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -2.729 -4.154 -5.991 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.395 -3.506 -3.617 1.00 0.00 H new ATOM 809 N TYR D 19 1.245 0.933 -5.565 1.00 0.00 N ATOM 810 CA TYR D 19 0.895 1.706 -4.376 1.00 0.00 C ATOM 811 C TYR D 19 0.407 3.110 -4.745 1.00 0.00 C ATOM 812 O TYR D 19 -0.356 3.724 -3.996 1.00 0.00 O ATOM 813 CB TYR D 19 2.118 1.754 -3.447 1.00 0.00 C ATOM 814 CG TYR D 19 1.934 2.567 -2.184 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.358 1.971 -1.050 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.353 3.910 -2.141 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.166 2.738 0.118 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.187 4.672 -0.970 1.00 0.00 C ATOM 819 CZ TYR D 19 1.575 4.092 0.163 1.00 0.00 C ATOM 820 OH TYR D 19 1.383 4.846 1.281 1.00 0.00 O ATOM 0 H TYR D 19 2.232 0.677 -5.597 1.00 0.00 H new ATOM 0 HA TYR D 19 0.068 1.223 -3.856 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.383 0.734 -3.168 1.00 0.00 H new ATOM 0 HB3 TYR D 19 2.962 2.162 -4.004 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.064 0.932 -1.072 1.00 0.00 H new ATOM 0 HD2 TYR D 19 2.805 4.359 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR D 19 0.703 2.289 0.984 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.526 5.697 -0.938 1.00 0.00 H new ATOM 0 HH TYR D 19 1.162 4.261 2.036 1.00 0.00 H new ATOM 830 N ASN D 20 0.870 3.648 -5.874 1.00 0.00 N ATOM 831 CA ASN D 20 0.462 4.966 -6.322 1.00 0.00 C ATOM 832 C ASN D 20 -0.977 4.903 -6.813 1.00 0.00 C ATOM 833 O ASN D 20 -1.806 5.686 -6.353 1.00 0.00 O ATOM 834 CB ASN D 20 1.408 5.483 -7.412 1.00 0.00 C ATOM 835 CG ASN D 20 1.517 6.989 -7.290 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.543 7.719 -7.469 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.657 7.458 -6.824 1.00 0.00 N ATOM 0 H ASN D 20 1.532 3.182 -6.494 1.00 0.00 H new ATOM 0 HA ASN D 20 0.516 5.669 -5.491 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.391 5.024 -7.307 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.032 5.210 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.748 8.449 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.448 6.830 -6.685 1.00 0.00 H new ATOM 844 N ASP D 21 -1.284 3.936 -7.683 1.00 0.00 N ATOM 845 CA ASP D 21 -2.622 3.723 -8.249 1.00 0.00 C ATOM 846 C ASP D 21 -3.609 3.261 -7.168 1.00 0.00 C ATOM 847 O ASP D 21 -4.796 3.605 -7.214 1.00 0.00 O ATOM 848 CB ASP D 21 -2.561 2.681 -9.387 1.00 0.00 C ATOM 849 CG ASP D 21 -2.588 3.329 -10.773 1.00 0.00 C ATOM 850 OD1 ASP D 21 -3.607 3.962 -11.146 1.00 0.00 O ATOM 851 OD2 ASP D 21 -1.550 3.325 -11.473 1.00 0.00 O ATOM 0 H ASP D 21 -0.595 3.264 -8.021 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.974 4.673 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.653 2.087 -9.284 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -3.403 1.995 -9.293 1.00 0.00 H new ATOM 856 N LEU D 22 -3.110 2.553 -6.147 1.00 0.00 N ATOM 857 CA LEU D 22 -3.870 2.018 -5.021 1.00 0.00 C ATOM 858 C LEU D 22 -4.573 3.127 -4.250 1.00 0.00 C ATOM 859 O LEU D 22 -5.656 2.884 -3.722 1.00 0.00 O ATOM 860 CB LEU D 22 -2.924 1.245 -4.075 1.00 0.00 C ATOM 861 CG LEU D 22 -3.552 0.739 -2.763 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.753 -0.180 -2.994 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.514 -0.044 -1.951 1.00 0.00 C ATOM 0 H LEU D 22 -2.117 2.329 -6.085 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.631 1.344 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.520 0.389 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -2.082 1.891 -3.827 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.891 1.625 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -5.153 -0.504 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -5.524 0.360 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -4.439 -1.051 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.968 -0.398 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -2.165 -0.897 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.670 0.605 -1.717 1.00 0.00 H new ATOM 875 N GLN D 23 -4.031 4.349 -4.247 1.00 0.00 N ATOM 876 CA GLN D 23 -4.622 5.459 -3.519 1.00 0.00 C ATOM 877 C GLN D 23 -6.109 5.658 -3.857 1.00 0.00 C ATOM 878 O GLN D 23 -6.927 5.834 -2.951 1.00 0.00 O ATOM 879 CB GLN D 23 -3.768 6.731 -3.688 1.00 0.00 C ATOM 880 CG GLN D 23 -4.037 7.536 -4.965 1.00 0.00 C ATOM 881 CD GLN D 23 -3.078 8.714 -5.078 1.00 0.00 C ATOM 882 OE1 GLN D 23 -3.463 9.847 -4.815 1.00 0.00 O ATOM 883 NE2 GLN D 23 -1.852 8.478 -5.511 1.00 0.00 N ATOM 0 H GLN D 23 -3.175 4.588 -4.748 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.614 5.215 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.936 7.379 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.716 6.447 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.930 6.890 -5.836 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.065 7.898 -4.961 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -1.560 7.524 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -1.197 9.250 -5.634 1.00 0.00 H new ATOM 892 N GLN D 24 -6.476 5.579 -5.141 1.00 0.00 N ATOM 893 CA GLN D 24 -7.858 5.761 -5.572 1.00 0.00 C ATOM 894 C GLN D 24 -8.702 4.532 -5.255 1.00 0.00 C ATOM 895 O GLN D 24 -9.852 4.673 -4.855 1.00 0.00 O ATOM 896 CB GLN D 24 -7.913 6.094 -7.065 1.00 0.00 C ATOM 897 CG GLN D 24 -7.257 7.453 -7.335 1.00 0.00 C ATOM 898 CD GLN D 24 -7.440 7.884 -8.780 1.00 0.00 C ATOM 899 OE1 GLN D 24 -6.516 7.780 -9.584 1.00 0.00 O ATOM 900 NE2 GLN D 24 -8.631 8.337 -9.140 1.00 0.00 N ATOM 0 H GLN D 24 -5.825 5.388 -5.903 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.278 6.600 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.404 5.318 -7.636 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.949 6.110 -7.402 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -7.688 8.204 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -6.193 7.397 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.378 8.412 -8.450 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -8.801 8.611 -10.108 1.00 0.00 H new ATOM 909 N TYR D 25 -8.159 3.328 -5.424 1.00 0.00 N ATOM 910 CA TYR D 25 -8.892 2.104 -5.127 1.00 0.00 C ATOM 911 C TYR D 25 -9.253 2.079 -3.639 1.00 0.00 C ATOM 912 O TYR D 25 -10.413 1.841 -3.297 1.00 0.00 O ATOM 913 CB TYR D 25 -8.047 0.908 -5.569 1.00 0.00 C ATOM 914 CG TYR D 25 -8.487 -0.476 -5.120 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.841 -0.861 -5.060 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.493 -1.419 -4.819 1.00 0.00 C ATOM 917 CE1 TYR D 25 -10.185 -2.170 -4.667 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.819 -2.732 -4.454 1.00 0.00 C ATOM 919 CZ TYR D 25 -9.173 -3.107 -4.351 1.00 0.00 C ATOM 920 OH TYR D 25 -9.484 -4.360 -3.927 1.00 0.00 O ATOM 0 H TYR D 25 -7.210 3.176 -5.766 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.832 2.056 -5.676 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -8.008 0.910 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -7.029 1.068 -5.213 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.615 -0.153 -5.315 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.455 -1.127 -4.870 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -11.224 -2.459 -4.607 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.038 -3.451 -4.253 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.660 -4.863 -3.759 1.00 0.00 H new ATOM 930 N LEU D 26 -8.322 2.456 -2.753 1.00 0.00 N ATOM 931 CA LEU D 26 -8.552 2.488 -1.308 1.00 0.00 C ATOM 932 C LEU D 26 -9.691 3.453 -0.957 1.00 0.00 C ATOM 933 O LEU D 26 -10.429 3.237 0.011 1.00 0.00 O ATOM 934 CB LEU D 26 -7.256 2.862 -0.562 1.00 0.00 C ATOM 935 CG LEU D 26 -6.914 1.827 0.522 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.489 2.054 1.024 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.882 1.856 1.706 1.00 0.00 C ATOM 0 H LEU D 26 -7.383 2.749 -3.023 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.851 1.491 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.433 2.932 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.368 3.846 -0.106 1.00 0.00 H new ATOM 0 HG LEU D 26 -7.004 0.845 0.058 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.252 1.318 1.792 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.790 1.950 0.194 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.407 3.056 1.445 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.586 1.103 2.436 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.858 2.841 2.171 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.892 1.645 1.355 1.00 0.00 H new ATOM 949 N ASN D 27 -9.855 4.505 -1.766 1.00 0.00 N ATOM 950 CA ASN D 27 -10.892 5.521 -1.623 1.00 0.00 C ATOM 951 C ASN D 27 -12.258 4.837 -1.690 1.00 0.00 C ATOM 952 O ASN D 27 -13.138 5.131 -0.886 1.00 0.00 O ATOM 953 CB ASN D 27 -10.734 6.577 -2.728 1.00 0.00 C ATOM 954 CG ASN D 27 -11.223 7.950 -2.306 1.00 0.00 C ATOM 955 OD1 ASN D 27 -12.343 8.106 -1.826 1.00 0.00 O ATOM 956 ND2 ASN D 27 -10.400 8.963 -2.514 1.00 0.00 N ATOM 0 H ASN D 27 -9.245 4.674 -2.566 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.803 6.030 -0.663 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.684 6.643 -3.014 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.285 6.256 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -10.688 9.912 -2.274 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -9.477 8.796 -2.915 1.00 0.00 H new ATOM 963 N VAL D 28 -12.421 3.884 -2.613 1.00 0.00 N ATOM 964 CA VAL D 28 -13.640 3.108 -2.808 1.00 0.00 C ATOM 965 C VAL D 28 -13.758 2.077 -1.677 1.00 0.00 C ATOM 966 O VAL D 28 -14.818 1.967 -1.055 1.00 0.00 O ATOM 967 CB VAL D 28 -13.611 2.386 -4.180 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.984 1.791 -4.518 1.00 0.00 C ATOM 969 CG2 VAL D 28 -13.191 3.279 -5.355 1.00 0.00 C ATOM 0 H VAL D 28 -11.680 3.626 -3.265 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.500 3.777 -2.792 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.857 1.608 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.936 1.291 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -15.267 1.071 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.726 2.588 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -13.197 2.696 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.889 4.111 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -12.188 3.666 -5.177 1.00 0.00 H new ATOM 979 N VAL D 29 -12.671 1.361 -1.355 1.00 0.00 N ATOM 980 CA VAL D 29 -12.646 0.330 -0.313 1.00 0.00 C ATOM 981 C VAL D 29 -13.143 0.858 1.037 1.00 0.00 C ATOM 982 O VAL D 29 -13.890 0.153 1.713 1.00 0.00 O ATOM 983 CB VAL D 29 -11.241 -0.306 -0.198 1.00 0.00 C ATOM 984 CG1 VAL D 29 -11.157 -1.377 0.901 1.00 0.00 C ATOM 985 CG2 VAL D 29 -10.825 -1.001 -1.502 1.00 0.00 C ATOM 0 H VAL D 29 -11.772 1.486 -1.820 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.343 -0.452 -0.614 1.00 0.00 H new ATOM 0 HB VAL D 29 -10.582 0.529 0.038 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -10.147 -1.787 0.933 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -11.398 -0.929 1.865 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -11.866 -2.176 0.685 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -9.833 -1.436 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -11.540 -1.789 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -10.807 -0.273 -2.313 1.00 0.00 H new ATOM 995 N THR D 30 -12.877 2.123 1.362 1.00 0.00 N ATOM 996 CA THR D 30 -13.279 2.740 2.627 1.00 0.00 C ATOM 997 C THR D 30 -14.315 3.846 2.467 1.00 0.00 C ATOM 998 O THR D 30 -14.604 4.567 3.421 1.00 0.00 O ATOM 999 CB THR D 30 -12.022 3.322 3.291 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.370 4.239 2.423 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.039 2.233 3.695 1.00 0.00 C ATOM 0 H THR D 30 -12.369 2.757 0.746 1.00 0.00 H new ATOM 0 HA THR D 30 -13.747 1.966 3.235 1.00 0.00 H new ATOM 0 HB THR D 30 -12.353 3.841 4.190 1.00 0.00 H new ATOM 0 HG1 THR D 30 -10.972 3.752 1.672 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.164 2.687 4.161 1.00 0.00 H new ATOM 0 HG22 THR D 30 -11.517 1.556 4.403 1.00 0.00 H new ATOM 0 HG23 THR D 30 -10.731 1.675 2.811 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.812 4.075 1.250 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.765 5.127 0.929 1.00 0.00 C ATOM 1011 C ARG D 31 -15.267 6.473 1.481 1.00 0.00 C ATOM 1012 O ARG D 31 -16.051 7.263 2.009 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.153 4.719 1.419 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.605 3.354 0.898 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.058 3.090 1.309 1.00 0.00 C ATOM 1016 NE ARG D 31 -19.444 1.689 1.084 1.00 0.00 N ATOM 1017 CZ ARG D 31 -19.489 1.070 -0.099 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -19.316 1.745 -1.228 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -19.668 -0.240 -0.140 1.00 0.00 N ATOM 0 H ARG D 31 -14.551 3.514 0.439 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.849 5.264 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.155 4.702 2.509 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.876 5.475 1.111 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -17.514 3.322 -0.188 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -16.958 2.572 1.295 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.188 3.338 2.362 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.720 3.745 0.743 1.00 0.00 H new ATOM 0 HE ARG D 31 -19.700 1.141 1.905 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -19.146 2.750 -1.200 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -19.353 1.259 -2.124 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -19.770 -0.768 0.727 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -19.704 -0.722 -1.038 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.951 6.697 1.393 1.00 0.00 N ATOM 1034 CA HIS D 32 -13.201 7.865 1.836 1.00 0.00 C ATOM 1035 C HIS D 32 -13.110 8.010 3.371 1.00 0.00 C ATOM 1036 O HIS D 32 -12.815 9.103 3.854 1.00 0.00 O ATOM 1037 CB HIS D 32 -13.724 9.124 1.119 1.00 0.00 C ATOM 1038 CG HIS D 32 -12.734 10.260 1.022 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -12.989 11.576 1.332 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -11.450 10.188 0.549 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -11.885 12.283 1.051 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -10.924 11.484 0.555 1.00 0.00 N ATOM 0 H HIS D 32 -13.335 6.001 0.972 1.00 0.00 H new ATOM 0 HA HIS D 32 -12.161 7.722 1.543 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -14.036 8.847 0.112 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -14.612 9.479 1.642 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -10.937 9.293 0.229 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -11.782 13.347 1.202 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -9.995 11.767 0.244 1.00 0.00 H new ATOM 1050 N ARG D 33 -13.234 6.933 4.167 1.00 0.00 N ATOM 1051 CA ARG D 33 -13.156 7.028 5.636 1.00 0.00 C ATOM 1052 C ARG D 33 -11.827 7.591 6.136 1.00 0.00 C ATOM 1053 O ARG D 33 -11.802 8.227 7.188 1.00 0.00 O ATOM 1054 CB ARG D 33 -13.464 5.684 6.329 1.00 0.00 C ATOM 1055 CG ARG D 33 -13.910 5.879 7.793 1.00 0.00 C ATOM 1056 CD ARG D 33 -12.997 5.298 8.886 1.00 0.00 C ATOM 1057 NE ARG D 33 -13.109 3.833 9.043 1.00 0.00 N ATOM 1058 CZ ARG D 33 -14.120 3.151 9.613 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -15.247 3.747 9.988 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -14.004 1.847 9.818 1.00 0.00 N ATOM 0 H ARG D 33 -13.389 5.987 3.818 1.00 0.00 H new ATOM 0 HA ARG D 33 -13.933 7.741 5.913 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -14.247 5.163 5.778 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -12.578 5.050 6.301 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -14.017 6.948 7.975 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -14.899 5.436 7.907 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -11.962 5.551 8.654 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -13.236 5.775 9.837 1.00 0.00 H new ATOM 0 HE ARG D 33 -12.335 3.277 8.679 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -15.365 4.750 9.847 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -15.994 3.201 10.417 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -13.150 1.362 9.544 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -14.769 1.329 10.250 1.00 0.00 H new ATOM 1074 N TYR D 34 -10.728 7.359 5.423 1.00 0.00 N ATOM 1075 CA TYR D 34 -9.429 7.887 5.835 1.00 0.00 C ATOM 1076 C TYR D 34 -9.381 9.399 5.588 1.00 0.00 C ATOM 1077 O TYR D 34 -8.663 10.123 6.257 1.00 0.00 O ATOM 1078 CB TYR D 34 -8.285 7.172 5.104 1.00 0.00 C ATOM 1079 CG TYR D 34 -8.320 7.291 3.593 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -7.806 8.436 2.955 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.852 6.245 2.820 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -7.855 8.556 1.556 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.900 6.357 1.421 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.415 7.518 0.780 1.00 0.00 C ATOM 1085 OH TYR D 34 -8.449 7.610 -0.574 1.00 0.00 O ATOM 0 H TYR D 34 -10.710 6.812 4.562 1.00 0.00 H new ATOM 0 HA TYR D 34 -9.299 7.702 6.901 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -7.337 7.572 5.464 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -8.307 6.116 5.371 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -7.371 9.228 3.546 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.225 5.354 3.303 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -7.465 9.441 1.075 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -9.310 5.550 0.832 1.00 0.00 H new ATOM 0 HH TYR D 34 -8.400 6.712 -0.964 1.00 0.00 H new