USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=11 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= 0.663 K(o=1.3,f=-0.0047) USER MOD Set 1.2: D 32 HIS : no HE2:sc= 0.597 K(o=1.3,f=-5.2!) USER MOD Set 2.1: C 27 ASN : amide:sc= 1.63 K(o=3.5,f=1.5) USER MOD Set 2.2: C 32 HIS : no HE2:sc= 0.631 K(o=3.5,f=-3.2!) USER MOD Set 2.3: C 34 TYR OH : rot 90:sc= 1.19 USER MOD Single : C 19 TYR OH : rot 180:sc= -0.0354 USER MOD Single : C 20 ASN : amide:sc=-0.00629 X(o=-0.0063,f=0) USER MOD Single : C 23 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.58) USER MOD Single : C 24 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : C 25 TYR OH : rot 180:sc= 0 USER MOD Single : C 30 THR OG1 : rot 98:sc= 0.00832 USER MOD Single : D 19 TYR OH : rot 180:sc= -0.019 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 23 GLN : amide:sc= -0.329 X(o=-0.33,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 150:sc= 0.743 USER MOD Single : D 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -7.833 -7.071 7.613 1.00 0.00 N ATOM 122 CA PRO C 11 -9.138 -6.437 7.495 1.00 0.00 C ATOM 123 C PRO C 11 -8.980 -4.974 7.083 1.00 0.00 C ATOM 124 O PRO C 11 -7.982 -4.330 7.412 1.00 0.00 O ATOM 125 CB PRO C 11 -9.781 -6.571 8.878 1.00 0.00 C ATOM 126 CG PRO C 11 -8.580 -6.583 9.816 1.00 0.00 C ATOM 127 CD PRO C 11 -7.526 -7.343 9.012 1.00 0.00 C ATOM 0 HA PRO C 11 -9.759 -6.902 6.730 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -10.452 -5.740 9.093 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -10.368 -7.485 8.963 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -8.250 -5.574 10.062 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -8.808 -7.083 10.758 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -6.521 -7.007 9.266 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -7.567 -8.412 9.222 1.00 0.00 H new ATOM 135 N VAL C 12 -10.020 -4.415 6.462 1.00 0.00 N ATOM 136 CA VAL C 12 -10.045 -3.032 5.994 1.00 0.00 C ATOM 137 C VAL C 12 -9.765 -2.066 7.143 1.00 0.00 C ATOM 138 O VAL C 12 -9.001 -1.122 6.945 1.00 0.00 O ATOM 139 CB VAL C 12 -11.411 -2.737 5.343 1.00 0.00 C ATOM 140 CG1 VAL C 12 -11.618 -1.262 4.964 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.594 -3.591 4.080 1.00 0.00 C ATOM 0 H VAL C 12 -10.884 -4.922 6.268 1.00 0.00 H new ATOM 0 HA VAL C 12 -9.261 -2.891 5.250 1.00 0.00 H new ATOM 0 HB VAL C 12 -12.153 -2.986 6.102 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -12.602 -1.137 4.512 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -11.548 -0.643 5.859 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -10.851 -0.958 4.252 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.563 -3.373 3.630 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.803 -3.360 3.367 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -11.547 -4.647 4.345 1.00 0.00 H new ATOM 151 N GLU C 13 -10.358 -2.304 8.315 1.00 0.00 N ATOM 152 CA GLU C 13 -10.205 -1.456 9.489 1.00 0.00 C ATOM 153 C GLU C 13 -8.734 -1.227 9.847 1.00 0.00 C ATOM 154 O GLU C 13 -8.346 -0.080 10.072 1.00 0.00 O ATOM 155 CB GLU C 13 -10.988 -2.074 10.658 1.00 0.00 C ATOM 156 CG GLU C 13 -11.021 -1.146 11.879 1.00 0.00 C ATOM 157 CD GLU C 13 -11.894 -1.718 12.993 1.00 0.00 C ATOM 158 OE1 GLU C 13 -11.353 -2.444 13.859 1.00 0.00 O ATOM 159 OE2 GLU C 13 -13.098 -1.372 13.048 1.00 0.00 O ATOM 0 H GLU C 13 -10.968 -3.106 8.473 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.614 -0.470 9.267 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -12.008 -2.290 10.338 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.534 -3.025 10.937 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -10.007 -0.996 12.251 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -11.401 -0.168 11.584 1.00 0.00 H new ATOM 166 N ASP C 14 -7.938 -2.301 9.882 1.00 0.00 N ATOM 167 CA ASP C 14 -6.510 -2.249 10.205 1.00 0.00 C ATOM 168 C ASP C 14 -5.708 -1.743 9.013 1.00 0.00 C ATOM 169 O ASP C 14 -4.857 -0.872 9.161 1.00 0.00 O ATOM 170 CB ASP C 14 -6.002 -3.639 10.598 1.00 0.00 C ATOM 171 CG ASP C 14 -4.733 -3.536 11.446 1.00 0.00 C ATOM 172 OD1 ASP C 14 -4.859 -3.421 12.688 1.00 0.00 O ATOM 173 OD2 ASP C 14 -3.627 -3.774 10.923 1.00 0.00 O ATOM 0 H ASP C 14 -8.273 -3.244 9.684 1.00 0.00 H new ATOM 0 HA ASP C 14 -6.379 -1.563 11.042 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -6.775 -4.169 11.155 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.798 -4.223 9.701 1.00 0.00 H new ATOM 178 N LEU C 15 -6.072 -2.204 7.810 1.00 0.00 N ATOM 179 CA LEU C 15 -5.449 -1.845 6.542 1.00 0.00 C ATOM 180 C LEU C 15 -5.477 -0.328 6.337 1.00 0.00 C ATOM 181 O LEU C 15 -4.587 0.186 5.675 1.00 0.00 O ATOM 182 CB LEU C 15 -6.093 -2.661 5.407 1.00 0.00 C ATOM 183 CG LEU C 15 -5.396 -2.541 4.034 1.00 0.00 C ATOM 184 CD1 LEU C 15 -4.120 -3.386 4.003 1.00 0.00 C ATOM 185 CD2 LEU C 15 -6.330 -3.077 2.942 1.00 0.00 C ATOM 0 H LEU C 15 -6.841 -2.864 7.695 1.00 0.00 H new ATOM 0 HA LEU C 15 -4.391 -2.107 6.544 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -6.107 -3.711 5.699 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -7.131 -2.346 5.298 1.00 0.00 H new ATOM 0 HG LEU C 15 -5.153 -1.492 3.866 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -3.643 -3.289 3.028 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -3.436 -3.040 4.778 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -4.372 -4.431 4.181 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -5.841 -2.994 1.972 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -6.562 -4.123 3.143 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -7.252 -2.496 2.935 1.00 0.00 H new ATOM 197 N ILE C 16 -6.475 0.394 6.864 1.00 0.00 N ATOM 198 CA ILE C 16 -6.566 1.851 6.748 1.00 0.00 C ATOM 199 C ILE C 16 -5.354 2.466 7.467 1.00 0.00 C ATOM 200 O ILE C 16 -4.714 3.378 6.939 1.00 0.00 O ATOM 201 CB ILE C 16 -7.911 2.351 7.352 1.00 0.00 C ATOM 202 CG1 ILE C 16 -9.119 2.181 6.404 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.871 3.805 7.842 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.139 3.118 5.191 1.00 0.00 C ATOM 0 H ILE C 16 -7.246 -0.022 7.386 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.551 2.157 5.702 1.00 0.00 H new ATOM 0 HB ILE C 16 -8.048 1.699 8.214 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -9.137 1.151 6.047 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -10.033 2.336 6.977 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.845 4.079 8.249 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.112 3.907 8.618 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.628 4.463 7.008 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.027 2.917 4.591 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.157 4.153 5.531 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -8.247 2.950 4.587 1.00 0.00 H new ATOM 216 N ARG C 17 -5.122 2.045 8.714 1.00 0.00 N ATOM 217 CA ARG C 17 -4.032 2.521 9.560 1.00 0.00 C ATOM 218 C ARG C 17 -2.695 2.076 8.986 1.00 0.00 C ATOM 219 O ARG C 17 -1.856 2.924 8.690 1.00 0.00 O ATOM 220 CB ARG C 17 -4.277 2.039 11.008 1.00 0.00 C ATOM 221 CG ARG C 17 -4.079 3.112 12.088 1.00 0.00 C ATOM 222 CD ARG C 17 -5.091 4.269 11.993 1.00 0.00 C ATOM 223 NE ARG C 17 -4.612 5.367 11.129 1.00 0.00 N ATOM 224 CZ ARG C 17 -5.352 6.256 10.455 1.00 0.00 C ATOM 225 NH1 ARG C 17 -6.682 6.250 10.525 1.00 0.00 N ATOM 226 NH2 ARG C 17 -4.745 7.177 9.715 1.00 0.00 N ATOM 0 H ARG C 17 -5.705 1.345 9.172 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.001 3.610 9.583 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.294 1.655 11.080 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.606 1.206 11.217 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -4.161 2.647 13.071 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.069 3.515 12.009 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -6.036 3.890 11.604 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -5.290 4.657 12.992 1.00 0.00 H new ATOM 0 HE ARG C 17 -3.600 5.458 11.035 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.159 5.557 11.102 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.223 6.938 10.002 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -3.727 7.201 9.665 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -5.297 7.860 9.197 1.00 0.00 H new ATOM 240 N PHE C 18 -2.589 0.789 8.664 1.00 0.00 N ATOM 241 CA PHE C 18 -1.409 0.171 8.086 1.00 0.00 C ATOM 242 C PHE C 18 -0.978 0.919 6.825 1.00 0.00 C ATOM 243 O PHE C 18 0.191 1.265 6.696 1.00 0.00 O ATOM 244 CB PHE C 18 -1.724 -1.303 7.791 1.00 0.00 C ATOM 245 CG PHE C 18 -0.933 -1.908 6.652 1.00 0.00 C ATOM 246 CD1 PHE C 18 -1.401 -1.755 5.333 1.00 0.00 C ATOM 247 CD2 PHE C 18 0.292 -2.554 6.897 1.00 0.00 C ATOM 248 CE1 PHE C 18 -0.637 -2.215 4.255 1.00 0.00 C ATOM 249 CE2 PHE C 18 1.067 -3.011 5.818 1.00 0.00 C ATOM 250 CZ PHE C 18 0.601 -2.826 4.501 1.00 0.00 C ATOM 0 H PHE C 18 -3.353 0.128 8.805 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.576 0.222 8.787 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.539 -1.886 8.693 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.786 -1.394 7.565 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -2.354 -1.280 5.153 1.00 0.00 H new ATOM 0 HD2 PHE C 18 0.636 -2.698 7.911 1.00 0.00 H new ATOM 0 HE1 PHE C 18 -0.997 -2.101 3.243 1.00 0.00 H new ATOM 0 HE2 PHE C 18 2.013 -3.501 5.997 1.00 0.00 H new ATOM 0 HZ PHE C 18 1.205 -3.159 3.670 1.00 0.00 H new ATOM 260 N TYR C 19 -1.915 1.240 5.929 1.00 0.00 N ATOM 261 CA TYR C 19 -1.638 1.938 4.682 1.00 0.00 C ATOM 262 C TYR C 19 -0.985 3.301 4.934 1.00 0.00 C ATOM 263 O TYR C 19 -0.133 3.736 4.159 1.00 0.00 O ATOM 264 CB TYR C 19 -2.945 2.045 3.891 1.00 0.00 C ATOM 265 CG TYR C 19 -2.836 2.875 2.638 1.00 0.00 C ATOM 266 CD1 TYR C 19 -2.299 2.318 1.465 1.00 0.00 C ATOM 267 CD2 TYR C 19 -3.241 4.218 2.670 1.00 0.00 C ATOM 268 CE1 TYR C 19 -2.125 3.126 0.325 1.00 0.00 C ATOM 269 CE2 TYR C 19 -3.055 5.032 1.544 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.471 4.497 0.377 1.00 0.00 C ATOM 271 OH TYR C 19 -2.268 5.301 -0.702 1.00 0.00 O ATOM 0 H TYR C 19 -2.902 1.016 6.057 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.915 1.376 4.091 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -3.279 1.043 3.623 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.713 2.475 4.534 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -2.021 1.275 1.438 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.696 4.624 3.561 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.729 2.701 -0.585 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -3.359 6.068 1.570 1.00 0.00 H new ATOM 0 HH TYR C 19 -2.563 6.211 -0.492 1.00 0.00 H new ATOM 281 N ASN C 20 -1.378 3.990 6.007 1.00 0.00 N ATOM 282 CA ASN C 20 -0.811 5.285 6.361 1.00 0.00 C ATOM 283 C ASN C 20 0.631 5.127 6.831 1.00 0.00 C ATOM 284 O ASN C 20 1.406 6.057 6.652 1.00 0.00 O ATOM 285 CB ASN C 20 -1.659 5.964 7.457 1.00 0.00 C ATOM 286 CG ASN C 20 -2.192 7.326 7.039 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.974 8.332 7.711 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.998 7.372 5.991 1.00 0.00 N ATOM 0 H ASN C 20 -2.098 3.663 6.652 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.819 5.917 5.473 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.497 5.316 7.714 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.055 6.077 8.358 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.448 8.250 5.732 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.170 6.529 5.442 1.00 0.00 H new ATOM 295 N ASP C 21 1.014 3.983 7.399 1.00 0.00 N ATOM 296 CA ASP C 21 2.385 3.741 7.865 1.00 0.00 C ATOM 297 C ASP C 21 3.232 3.060 6.789 1.00 0.00 C ATOM 298 O ASP C 21 4.456 3.239 6.760 1.00 0.00 O ATOM 299 CB ASP C 21 2.386 2.936 9.168 1.00 0.00 C ATOM 300 CG ASP C 21 2.001 3.792 10.371 1.00 0.00 C ATOM 301 OD1 ASP C 21 2.342 4.997 10.426 1.00 0.00 O ATOM 302 OD2 ASP C 21 1.506 3.214 11.365 1.00 0.00 O ATOM 0 H ASP C 21 0.384 3.195 7.550 1.00 0.00 H new ATOM 0 HA ASP C 21 2.841 4.710 8.070 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.690 2.102 9.079 1.00 0.00 H new ATOM 0 HB3 ASP C 21 3.376 2.509 9.329 1.00 0.00 H new ATOM 307 N LEU C 22 2.589 2.400 5.819 1.00 0.00 N ATOM 308 CA LEU C 22 3.207 1.708 4.685 1.00 0.00 C ATOM 309 C LEU C 22 4.010 2.708 3.847 1.00 0.00 C ATOM 310 O LEU C 22 4.989 2.325 3.206 1.00 0.00 O ATOM 311 CB LEU C 22 2.098 1.046 3.841 1.00 0.00 C ATOM 312 CG LEU C 22 2.565 0.380 2.532 1.00 0.00 C ATOM 313 CD1 LEU C 22 3.482 -0.823 2.782 1.00 0.00 C ATOM 314 CD2 LEU C 22 1.355 -0.067 1.708 1.00 0.00 C ATOM 0 H LEU C 22 1.571 2.331 5.804 1.00 0.00 H new ATOM 0 HA LEU C 22 3.890 0.936 5.040 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.601 0.294 4.453 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.352 1.802 3.597 1.00 0.00 H new ATOM 0 HG LEU C 22 3.139 1.127 1.983 1.00 0.00 H new ATOM 0 HD11 LEU C 22 3.783 -1.256 1.828 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.368 -0.498 3.328 1.00 0.00 H new ATOM 0 HD13 LEU C 22 2.949 -1.571 3.368 1.00 0.00 H new ATOM 0 HD21 LEU C 22 1.696 -0.536 0.785 1.00 0.00 H new ATOM 0 HD22 LEU C 22 0.767 -0.783 2.283 1.00 0.00 H new ATOM 0 HD23 LEU C 22 0.738 0.799 1.468 1.00 0.00 H new ATOM 326 N GLN C 23 3.658 3.995 3.929 1.00 0.00 N ATOM 327 CA GLN C 23 4.301 5.094 3.231 1.00 0.00 C ATOM 328 C GLN C 23 5.823 5.056 3.457 1.00 0.00 C ATOM 329 O GLN C 23 6.591 5.202 2.505 1.00 0.00 O ATOM 330 CB GLN C 23 3.628 6.423 3.659 1.00 0.00 C ATOM 331 CG GLN C 23 4.047 6.944 5.048 1.00 0.00 C ATOM 332 CD GLN C 23 3.177 8.082 5.588 1.00 0.00 C ATOM 333 OE1 GLN C 23 3.124 8.306 6.798 1.00 0.00 O ATOM 334 NE2 GLN C 23 2.563 8.905 4.752 1.00 0.00 N ATOM 0 H GLN C 23 2.881 4.305 4.512 1.00 0.00 H new ATOM 0 HA GLN C 23 4.168 5.003 2.153 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.859 7.186 2.916 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.547 6.286 3.649 1.00 0.00 H new ATOM 0 HG2 GLN C 23 4.020 6.116 5.756 1.00 0.00 H new ATOM 0 HG3 GLN C 23 5.081 7.286 4.997 1.00 0.00 H new ATOM 0 HE21 GLN C 23 2.599 8.732 3.747 1.00 0.00 H new ATOM 0 HE22 GLN C 23 2.054 9.712 5.113 1.00 0.00 H new ATOM 343 N GLN C 24 6.268 4.773 4.690 1.00 0.00 N ATOM 344 CA GLN C 24 7.684 4.709 5.031 1.00 0.00 C ATOM 345 C GLN C 24 8.372 3.496 4.406 1.00 0.00 C ATOM 346 O GLN C 24 9.523 3.621 3.988 1.00 0.00 O ATOM 347 CB GLN C 24 7.883 4.653 6.550 1.00 0.00 C ATOM 348 CG GLN C 24 7.632 5.999 7.245 1.00 0.00 C ATOM 349 CD GLN C 24 7.954 5.965 8.742 1.00 0.00 C ATOM 350 OE1 GLN C 24 8.985 5.259 9.178 1.00 0.00 O flip ATOM 351 NE2 GLN C 24 7.331 6.661 9.533 1.00 0.00 N flip ATOM 0 H GLN C 24 5.648 4.582 5.477 1.00 0.00 H new ATOM 0 HA GLN C 24 8.135 5.616 4.630 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.212 3.904 6.970 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.900 4.325 6.764 1.00 0.00 H new ATOM 0 HG2 GLN C 24 8.237 6.768 6.766 1.00 0.00 H new ATOM 0 HG3 GLN C 24 6.589 6.284 7.109 1.00 0.00 H new ATOM 0 HE21 GLN C 24 6.534 7.210 9.211 1.00 0.00 H new ATOM 0 HE22 GLN C 24 7.609 6.692 10.514 1.00 0.00 H new ATOM 360 N TYR C 25 7.690 2.348 4.323 1.00 0.00 N ATOM 361 CA TYR C 25 8.235 1.116 3.767 1.00 0.00 C ATOM 362 C TYR C 25 8.868 1.384 2.408 1.00 0.00 C ATOM 363 O TYR C 25 10.045 1.084 2.204 1.00 0.00 O ATOM 364 CB TYR C 25 7.151 0.027 3.687 1.00 0.00 C ATOM 365 CG TYR C 25 7.633 -1.393 3.417 1.00 0.00 C ATOM 366 CD1 TYR C 25 8.176 -1.761 2.165 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.452 -2.381 4.403 1.00 0.00 C ATOM 368 CE1 TYR C 25 8.551 -3.095 1.911 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.815 -3.716 4.153 1.00 0.00 C ATOM 370 CZ TYR C 25 8.365 -4.084 2.905 1.00 0.00 C ATOM 371 OH TYR C 25 8.638 -5.392 2.655 1.00 0.00 O ATOM 0 H TYR C 25 6.728 2.253 4.647 1.00 0.00 H new ATOM 0 HA TYR C 25 9.017 0.746 4.431 1.00 0.00 H new ATOM 0 HB2 TYR C 25 6.598 0.027 4.626 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.447 0.303 2.902 1.00 0.00 H new ATOM 0 HD1 TYR C 25 8.305 -1.013 1.397 1.00 0.00 H new ATOM 0 HD2 TYR C 25 7.031 -2.111 5.360 1.00 0.00 H new ATOM 0 HE1 TYR C 25 8.981 -3.363 0.957 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.673 -4.464 4.919 1.00 0.00 H new ATOM 0 HH TYR C 25 8.451 -5.924 3.456 1.00 0.00 H new ATOM 381 N LEU C 26 8.080 1.919 1.475 1.00 0.00 N ATOM 382 CA LEU C 26 8.545 2.214 0.129 1.00 0.00 C ATOM 383 C LEU C 26 9.528 3.376 0.125 1.00 0.00 C ATOM 384 O LEU C 26 10.503 3.336 -0.630 1.00 0.00 O ATOM 385 CB LEU C 26 7.361 2.531 -0.791 1.00 0.00 C ATOM 386 CG LEU C 26 6.495 1.291 -1.092 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.248 1.234 -0.205 1.00 0.00 C ATOM 388 CD2 LEU C 26 6.090 1.290 -2.565 1.00 0.00 C ATOM 0 H LEU C 26 7.102 2.158 1.636 1.00 0.00 H new ATOM 0 HA LEU C 26 9.060 1.328 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.741 3.299 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.734 2.945 -1.728 1.00 0.00 H new ATOM 0 HG LEU C 26 7.093 0.406 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU C 26 4.667 0.345 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU C 26 5.548 1.194 0.842 1.00 0.00 H new ATOM 0 HD13 LEU C 26 4.640 2.123 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU C 26 5.478 0.412 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU C 26 5.518 2.191 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU C 26 6.984 1.266 -3.188 1.00 0.00 H new ATOM 400 N ASN C 27 9.294 4.390 0.965 1.00 0.00 N ATOM 401 CA ASN C 27 10.161 5.559 1.040 1.00 0.00 C ATOM 402 C ASN C 27 11.598 5.178 1.349 1.00 0.00 C ATOM 403 O ASN C 27 12.484 5.613 0.620 1.00 0.00 O ATOM 404 CB ASN C 27 9.658 6.599 2.065 1.00 0.00 C ATOM 405 CG ASN C 27 9.231 7.900 1.400 1.00 0.00 C ATOM 406 OD1 ASN C 27 8.802 7.907 0.248 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.390 9.026 2.067 1.00 0.00 N ATOM 0 H ASN C 27 8.502 4.419 1.607 1.00 0.00 H new ATOM 0 HA ASN C 27 10.130 6.019 0.052 1.00 0.00 H new ATOM 0 HB2 ASN C 27 8.817 6.183 2.620 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.447 6.804 2.789 1.00 0.00 H new ATOM 0 HD21 ASN C 27 9.156 9.916 1.628 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.747 9.007 3.022 1.00 0.00 H new ATOM 414 N VAL C 28 11.847 4.338 2.354 1.00 0.00 N ATOM 415 CA VAL C 28 13.210 3.954 2.708 1.00 0.00 C ATOM 416 C VAL C 28 13.857 3.079 1.622 1.00 0.00 C ATOM 417 O VAL C 28 15.016 3.326 1.283 1.00 0.00 O ATOM 418 CB VAL C 28 13.247 3.304 4.111 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.683 2.958 4.545 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.674 4.247 5.185 1.00 0.00 C ATOM 0 H VAL C 28 11.124 3.913 2.934 1.00 0.00 H new ATOM 0 HA VAL C 28 13.818 4.857 2.760 1.00 0.00 H new ATOM 0 HB VAL C 28 12.646 2.399 4.030 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.664 2.504 5.536 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.120 2.258 3.833 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.283 3.867 4.574 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.716 3.758 6.158 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.262 5.165 5.215 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.639 4.487 4.944 1.00 0.00 H new ATOM 430 N VAL C 29 13.137 2.140 0.992 1.00 0.00 N ATOM 431 CA VAL C 29 13.692 1.249 -0.042 1.00 0.00 C ATOM 432 C VAL C 29 14.396 2.018 -1.165 1.00 0.00 C ATOM 433 O VAL C 29 15.556 1.729 -1.490 1.00 0.00 O ATOM 434 CB VAL C 29 12.608 0.282 -0.574 1.00 0.00 C ATOM 435 CG1 VAL C 29 13.071 -0.546 -1.786 1.00 0.00 C ATOM 436 CG2 VAL C 29 12.207 -0.723 0.517 1.00 0.00 C ATOM 0 H VAL C 29 12.149 1.975 1.185 1.00 0.00 H new ATOM 0 HA VAL C 29 14.468 0.645 0.429 1.00 0.00 H new ATOM 0 HB VAL C 29 11.776 0.919 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL C 29 12.263 -1.203 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL C 29 13.342 0.124 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL C 29 13.937 -1.146 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL C 29 11.444 -1.397 0.128 1.00 0.00 H new ATOM 0 HG22 VAL C 29 13.081 -1.300 0.819 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.812 -0.186 1.379 1.00 0.00 H new ATOM 446 N THR C 30 13.744 3.036 -1.719 1.00 0.00 N ATOM 447 CA THR C 30 14.276 3.847 -2.809 1.00 0.00 C ATOM 448 C THR C 30 14.689 5.239 -2.340 1.00 0.00 C ATOM 449 O THR C 30 14.985 6.080 -3.182 1.00 0.00 O ATOM 450 CB THR C 30 13.200 3.927 -3.906 1.00 0.00 C ATOM 451 OG1 THR C 30 12.000 4.414 -3.341 1.00 0.00 O ATOM 452 CG2 THR C 30 12.911 2.562 -4.534 1.00 0.00 C ATOM 0 H THR C 30 12.814 3.326 -1.417 1.00 0.00 H new ATOM 0 HA THR C 30 15.181 3.381 -3.199 1.00 0.00 H new ATOM 0 HB THR C 30 13.576 4.591 -4.684 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.924 5.376 -3.514 1.00 0.00 H new ATOM 0 HG21 THR C 30 12.145 2.670 -5.302 1.00 0.00 H new ATOM 0 HG22 THR C 30 13.823 2.168 -4.983 1.00 0.00 H new ATOM 0 HG23 THR C 30 12.559 1.875 -3.765 1.00 0.00 H new ATOM 460 N ARG C 31 14.770 5.492 -1.029 1.00 0.00 N ATOM 461 CA ARG C 31 15.105 6.794 -0.444 1.00 0.00 C ATOM 462 C ARG C 31 14.285 7.896 -1.130 1.00 0.00 C ATOM 463 O ARG C 31 14.812 8.942 -1.506 1.00 0.00 O ATOM 464 CB ARG C 31 16.620 7.047 -0.437 1.00 0.00 C ATOM 465 CG ARG C 31 16.946 8.131 0.606 1.00 0.00 C ATOM 466 CD ARG C 31 18.321 8.769 0.417 1.00 0.00 C ATOM 467 NE ARG C 31 19.409 7.792 0.519 1.00 0.00 N ATOM 468 CZ ARG C 31 19.900 7.261 1.643 1.00 0.00 C ATOM 469 NH1 ARG C 31 19.356 7.537 2.825 1.00 0.00 N ATOM 470 NH2 ARG C 31 20.929 6.432 1.554 1.00 0.00 N ATOM 0 H ARG C 31 14.599 4.774 -0.325 1.00 0.00 H new ATOM 0 HA ARG C 31 14.825 6.801 0.609 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.154 6.126 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.953 7.364 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG C 31 16.184 8.909 0.559 1.00 0.00 H new ATOM 0 HG3 ARG C 31 16.892 7.692 1.602 1.00 0.00 H new ATOM 0 HD2 ARG C 31 18.362 9.254 -0.558 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.464 9.547 1.167 1.00 0.00 H new ATOM 0 HE ARG C 31 19.834 7.487 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG C 31 18.552 8.162 2.883 1.00 0.00 H new ATOM 0 HH12 ARG C 31 19.743 7.123 3.673 1.00 0.00 H new ATOM 0 HH21 ARG C 31 21.329 6.212 0.642 1.00 0.00 H new ATOM 0 HH22 ARG C 31 21.322 6.014 2.398 1.00 0.00 H new ATOM 484 N HIS C 32 12.998 7.635 -1.357 1.00 0.00 N ATOM 485 CA HIS C 32 12.059 8.544 -2.006 1.00 0.00 C ATOM 486 C HIS C 32 12.579 9.037 -3.376 1.00 0.00 C ATOM 487 O HIS C 32 12.295 10.164 -3.773 1.00 0.00 O ATOM 488 CB HIS C 32 11.690 9.671 -1.019 1.00 0.00 C ATOM 489 CG HIS C 32 10.519 10.542 -1.424 1.00 0.00 C ATOM 490 ND1 HIS C 32 9.184 10.246 -1.274 1.00 0.00 N ATOM 491 CD2 HIS C 32 10.599 11.811 -1.929 1.00 0.00 C ATOM 492 CE1 HIS C 32 8.476 11.318 -1.671 1.00 0.00 C ATOM 493 NE2 HIS C 32 9.298 12.309 -2.058 1.00 0.00 N ATOM 0 H HIS C 32 12.567 6.752 -1.083 1.00 0.00 H new ATOM 0 HA HIS C 32 11.139 8.014 -2.252 1.00 0.00 H new ATOM 0 HB2 HIS C 32 11.468 9.222 -0.051 1.00 0.00 H new ATOM 0 HB3 HIS C 32 12.563 10.309 -0.882 1.00 0.00 H new ATOM 0 HD1 HIS C 32 8.799 9.369 -0.924 1.00 0.00 H new ATOM 0 HD2 HIS C 32 11.508 12.336 -2.184 1.00 0.00 H new ATOM 0 HE1 HIS C 32 7.398 11.375 -1.678 1.00 0.00 H new ATOM 501 N ARG C 33 13.345 8.237 -4.137 1.00 0.00 N ATOM 502 CA ARG C 33 13.856 8.646 -5.460 1.00 0.00 C ATOM 503 C ARG C 33 12.697 9.009 -6.393 1.00 0.00 C ATOM 504 O ARG C 33 12.856 9.881 -7.248 1.00 0.00 O ATOM 505 CB ARG C 33 14.740 7.538 -6.074 1.00 0.00 C ATOM 506 CG ARG C 33 16.197 7.577 -5.566 1.00 0.00 C ATOM 507 CD ARG C 33 16.945 6.248 -5.791 1.00 0.00 C ATOM 508 NE ARG C 33 17.250 5.994 -7.212 1.00 0.00 N ATOM 509 CZ ARG C 33 17.542 4.821 -7.787 1.00 0.00 C ATOM 510 NH1 ARG C 33 17.544 3.692 -7.084 1.00 0.00 N ATOM 511 NH2 ARG C 33 17.796 4.778 -9.089 1.00 0.00 N ATOM 0 H ARG C 33 13.626 7.297 -3.858 1.00 0.00 H new ATOM 0 HA ARG C 33 14.477 9.532 -5.331 1.00 0.00 H new ATOM 0 HB2 ARG C 33 14.306 6.565 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.737 7.638 -7.159 1.00 0.00 H new ATOM 0 HG2 ARG C 33 16.732 8.380 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG C 33 16.200 7.814 -4.502 1.00 0.00 H new ATOM 0 HD2 ARG C 33 17.874 6.259 -5.222 1.00 0.00 H new ATOM 0 HD3 ARG C 33 16.342 5.427 -5.402 1.00 0.00 H new ATOM 0 HE ARG C 33 17.237 6.807 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG C 33 17.320 3.710 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG C 33 17.769 2.808 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG C 33 17.768 5.634 -9.643 1.00 0.00 H new ATOM 0 HH22 ARG C 33 18.019 3.889 -9.536 1.00 0.00 H new ATOM 525 N TYR C 34 11.536 8.384 -6.201 1.00 0.00 N ATOM 526 CA TYR C 34 10.327 8.618 -6.976 1.00 0.00 C ATOM 527 C TYR C 34 9.652 9.936 -6.565 1.00 0.00 C ATOM 528 O TYR C 34 8.753 10.424 -7.242 1.00 0.00 O ATOM 529 CB TYR C 34 9.375 7.425 -6.793 1.00 0.00 C ATOM 530 CG TYR C 34 8.882 7.197 -5.370 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.604 6.383 -4.478 1.00 0.00 C ATOM 532 CD2 TYR C 34 7.683 7.788 -4.939 1.00 0.00 C ATOM 533 CE1 TYR C 34 9.124 6.150 -3.172 1.00 0.00 C ATOM 534 CE2 TYR C 34 7.184 7.549 -3.649 1.00 0.00 C ATOM 535 CZ TYR C 34 7.902 6.727 -2.756 1.00 0.00 C ATOM 536 OH TYR C 34 7.404 6.498 -1.511 1.00 0.00 O ATOM 0 H TYR C 34 11.411 7.678 -5.476 1.00 0.00 H new ATOM 0 HA TYR C 34 10.588 8.709 -8.030 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.510 7.569 -7.441 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.881 6.522 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.533 5.933 -4.796 1.00 0.00 H new ATOM 0 HD2 TYR C 34 7.137 8.435 -5.609 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.689 5.532 -2.491 1.00 0.00 H new ATOM 0 HE2 TYR C 34 6.250 7.995 -3.340 1.00 0.00 H new ATOM 0 HH TYR C 34 7.743 7.178 -0.893 1.00 0.00 H new ATOM 670 N PRO D 11 8.394 -7.701 -6.599 1.00 0.00 N ATOM 671 CA PRO D 11 9.589 -6.893 -6.792 1.00 0.00 C ATOM 672 C PRO D 11 9.280 -5.449 -6.389 1.00 0.00 C ATOM 673 O PRO D 11 8.281 -4.880 -6.837 1.00 0.00 O ATOM 674 CB PRO D 11 9.934 -7.037 -8.280 1.00 0.00 C ATOM 675 CG PRO D 11 8.589 -7.301 -8.950 1.00 0.00 C ATOM 676 CD PRO D 11 7.816 -8.071 -7.882 1.00 0.00 C ATOM 0 HA PRO D 11 10.437 -7.206 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO D 11 10.403 -6.133 -8.670 1.00 0.00 H new ATOM 0 HB3 PRO D 11 10.632 -7.857 -8.450 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.085 -6.374 -9.222 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.702 -7.883 -9.865 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.756 -7.820 -7.915 1.00 0.00 H new ATOM 0 HD3 PRO D 11 7.895 -9.146 -8.046 1.00 0.00 H new ATOM 684 N VAL D 12 10.118 -4.841 -5.545 1.00 0.00 N ATOM 685 CA VAL D 12 9.914 -3.464 -5.087 1.00 0.00 C ATOM 686 C VAL D 12 9.790 -2.485 -6.261 1.00 0.00 C ATOM 687 O VAL D 12 9.133 -1.456 -6.129 1.00 0.00 O ATOM 688 CB VAL D 12 10.995 -3.044 -4.072 1.00 0.00 C ATOM 689 CG1 VAL D 12 10.788 -3.793 -2.749 1.00 0.00 C ATOM 690 CG2 VAL D 12 12.434 -3.275 -4.563 1.00 0.00 C ATOM 0 H VAL D 12 10.952 -5.286 -5.162 1.00 0.00 H new ATOM 0 HA VAL D 12 8.960 -3.428 -4.560 1.00 0.00 H new ATOM 0 HB VAL D 12 10.878 -1.969 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.555 -3.491 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL D 12 9.804 -3.554 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL D 12 10.857 -4.867 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL D 12 13.137 -2.955 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL D 12 12.582 -4.335 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL D 12 12.605 -2.699 -5.473 1.00 0.00 H new ATOM 700 N GLU D 13 10.386 -2.802 -7.410 1.00 0.00 N ATOM 701 CA GLU D 13 10.332 -1.996 -8.618 1.00 0.00 C ATOM 702 C GLU D 13 8.878 -1.828 -9.071 1.00 0.00 C ATOM 703 O GLU D 13 8.502 -0.739 -9.504 1.00 0.00 O ATOM 704 CB GLU D 13 11.198 -2.711 -9.657 1.00 0.00 C ATOM 705 CG GLU D 13 11.102 -2.174 -11.085 1.00 0.00 C ATOM 706 CD GLU D 13 12.162 -2.829 -11.973 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.314 -4.079 -11.938 1.00 0.00 O ATOM 708 OE2 GLU D 13 13.021 -2.079 -12.492 1.00 0.00 O ATOM 0 H GLU D 13 10.935 -3.654 -7.524 1.00 0.00 H new ATOM 0 HA GLU D 13 10.714 -0.988 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU D 13 12.238 -2.654 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.925 -3.766 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU D 13 10.109 -2.370 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.237 -1.092 -11.084 1.00 0.00 H new ATOM 715 N ASP D 14 8.074 -2.894 -9.034 1.00 0.00 N ATOM 716 CA ASP D 14 6.663 -2.851 -9.424 1.00 0.00 C ATOM 717 C ASP D 14 5.853 -2.211 -8.305 1.00 0.00 C ATOM 718 O ASP D 14 4.979 -1.389 -8.571 1.00 0.00 O ATOM 719 CB ASP D 14 6.130 -4.265 -9.680 1.00 0.00 C ATOM 720 CG ASP D 14 4.719 -4.246 -10.287 1.00 0.00 C ATOM 721 OD1 ASP D 14 4.639 -4.152 -11.536 1.00 0.00 O ATOM 722 OD2 ASP D 14 3.811 -4.852 -9.678 1.00 0.00 O ATOM 0 H ASP D 14 8.386 -3.817 -8.731 1.00 0.00 H new ATOM 0 HA ASP D 14 6.571 -2.267 -10.340 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.807 -4.792 -10.353 1.00 0.00 H new ATOM 0 HB3 ASP D 14 6.114 -4.822 -8.743 1.00 0.00 H new ATOM 727 N LEU D 15 6.216 -2.507 -7.048 1.00 0.00 N ATOM 728 CA LEU D 15 5.540 -1.988 -5.862 1.00 0.00 C ATOM 729 C LEU D 15 5.546 -0.463 -5.827 1.00 0.00 C ATOM 730 O LEU D 15 4.530 0.117 -5.470 1.00 0.00 O ATOM 731 CB LEU D 15 6.161 -2.565 -4.576 1.00 0.00 C ATOM 732 CG LEU D 15 5.205 -2.469 -3.366 1.00 0.00 C ATOM 733 CD1 LEU D 15 4.145 -3.575 -3.385 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.988 -2.600 -2.056 1.00 0.00 C ATOM 0 H LEU D 15 6.999 -3.123 -6.830 1.00 0.00 H new ATOM 0 HA LEU D 15 4.500 -2.310 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU D 15 6.429 -3.608 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU D 15 7.084 -2.031 -4.350 1.00 0.00 H new ATOM 0 HG LEU D 15 4.716 -1.497 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU D 15 3.494 -3.470 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU D 15 3.551 -3.494 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU D 15 4.634 -4.549 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU D 15 5.301 -2.530 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU D 15 6.497 -3.564 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU D 15 6.725 -1.799 -1.991 1.00 0.00 H new ATOM 746 N ILE D 16 6.637 0.194 -6.228 1.00 0.00 N ATOM 747 CA ILE D 16 6.731 1.657 -6.235 1.00 0.00 C ATOM 748 C ILE D 16 5.668 2.277 -7.161 1.00 0.00 C ATOM 749 O ILE D 16 5.226 3.401 -6.899 1.00 0.00 O ATOM 750 CB ILE D 16 8.186 2.066 -6.583 1.00 0.00 C ATOM 751 CG1 ILE D 16 9.160 1.708 -5.434 1.00 0.00 C ATOM 752 CG2 ILE D 16 8.353 3.546 -6.973 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.214 2.708 -4.276 1.00 0.00 C ATOM 0 H ILE D 16 7.482 -0.274 -6.558 1.00 0.00 H new ATOM 0 HA ILE D 16 6.509 2.057 -5.245 1.00 0.00 H new ATOM 0 HB ILE D 16 8.436 1.485 -7.471 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.880 0.733 -5.035 1.00 0.00 H new ATOM 0 HG13 ILE D 16 10.162 1.607 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE D 16 9.400 3.746 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.743 3.762 -7.850 1.00 0.00 H new ATOM 0 HG23 ILE D 16 8.034 4.179 -6.145 1.00 0.00 H new ATOM 0 HD11 ILE D 16 9.926 2.360 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.528 3.682 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE D 16 8.226 2.795 -3.824 1.00 0.00 H new ATOM 765 N ARG D 17 5.301 1.602 -8.258 1.00 0.00 N ATOM 766 CA ARG D 17 4.296 2.086 -9.202 1.00 0.00 C ATOM 767 C ARG D 17 2.919 1.777 -8.631 1.00 0.00 C ATOM 768 O ARG D 17 2.150 2.694 -8.343 1.00 0.00 O ATOM 769 CB ARG D 17 4.490 1.404 -10.572 1.00 0.00 C ATOM 770 CG ARG D 17 3.620 1.989 -11.694 1.00 0.00 C ATOM 771 CD ARG D 17 4.199 3.269 -12.311 1.00 0.00 C ATOM 772 NE ARG D 17 3.900 4.475 -11.522 1.00 0.00 N ATOM 773 CZ ARG D 17 4.705 5.530 -11.335 1.00 0.00 C ATOM 774 NH1 ARG D 17 5.974 5.531 -11.744 1.00 0.00 N ATOM 775 NH2 ARG D 17 4.251 6.602 -10.700 1.00 0.00 N ATOM 0 H ARG D 17 5.699 0.698 -8.514 1.00 0.00 H new ATOM 0 HA ARG D 17 4.396 3.161 -9.348 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.538 1.485 -10.860 1.00 0.00 H new ATOM 0 HB3 ARG D 17 4.268 0.342 -10.471 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.498 1.240 -12.477 1.00 0.00 H new ATOM 0 HG3 ARG D 17 2.627 2.202 -11.299 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.280 3.163 -12.406 1.00 0.00 H new ATOM 0 HD3 ARG D 17 3.801 3.393 -13.318 1.00 0.00 H new ATOM 0 HE ARG D 17 2.986 4.512 -11.071 1.00 0.00 H new ATOM 0 HH11 ARG D 17 6.359 4.712 -12.215 1.00 0.00 H new ATOM 0 HH12 ARG D 17 6.560 6.351 -11.586 1.00 0.00 H new ATOM 0 HH21 ARG D 17 3.291 6.622 -10.355 1.00 0.00 H new ATOM 0 HH22 ARG D 17 4.862 7.406 -10.556 1.00 0.00 H new ATOM 789 N PHE D 18 2.682 0.489 -8.376 1.00 0.00 N ATOM 790 CA PHE D 18 1.457 -0.082 -7.843 1.00 0.00 C ATOM 791 C PHE D 18 0.981 0.664 -6.598 1.00 0.00 C ATOM 792 O PHE D 18 -0.185 1.022 -6.530 1.00 0.00 O ATOM 793 CB PHE D 18 1.702 -1.581 -7.590 1.00 0.00 C ATOM 794 CG PHE D 18 0.809 -2.237 -6.553 1.00 0.00 C ATOM 795 CD1 PHE D 18 -0.434 -2.790 -6.911 1.00 0.00 C ATOM 796 CD2 PHE D 18 1.230 -2.276 -5.211 1.00 0.00 C ATOM 797 CE1 PHE D 18 -1.240 -3.398 -5.932 1.00 0.00 C ATOM 798 CE2 PHE D 18 0.432 -2.887 -4.233 1.00 0.00 C ATOM 799 CZ PHE D 18 -0.797 -3.455 -4.600 1.00 0.00 C ATOM 0 H PHE D 18 3.390 -0.224 -8.550 1.00 0.00 H new ATOM 0 HA PHE D 18 0.646 0.026 -8.563 1.00 0.00 H new ATOM 0 HB2 PHE D 18 1.580 -2.113 -8.534 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.739 -1.712 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -0.769 -2.748 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE D 18 2.174 -1.832 -4.932 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -2.197 -3.820 -6.203 1.00 0.00 H new ATOM 0 HE2 PHE D 18 0.761 -2.920 -3.205 1.00 0.00 H new ATOM 0 HZ PHE D 18 -1.407 -3.940 -3.853 1.00 0.00 H new ATOM 809 N TYR D 19 1.863 0.962 -5.642 1.00 0.00 N ATOM 810 CA TYR D 19 1.527 1.664 -4.406 1.00 0.00 C ATOM 811 C TYR D 19 0.918 3.049 -4.658 1.00 0.00 C ATOM 812 O TYR D 19 0.142 3.531 -3.832 1.00 0.00 O ATOM 813 CB TYR D 19 2.787 1.765 -3.536 1.00 0.00 C ATOM 814 CG TYR D 19 2.674 2.707 -2.355 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.937 2.341 -1.213 1.00 0.00 C ATOM 816 CD2 TYR D 19 3.265 3.982 -2.433 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.759 3.265 -0.165 1.00 0.00 C ATOM 818 CE2 TYR D 19 3.102 4.902 -1.387 1.00 0.00 C ATOM 819 CZ TYR D 19 2.331 4.554 -0.256 1.00 0.00 C ATOM 820 OH TYR D 19 2.128 5.460 0.737 1.00 0.00 O ATOM 0 H TYR D 19 2.851 0.716 -5.709 1.00 0.00 H new ATOM 0 HA TYR D 19 0.759 1.091 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR D 19 3.036 0.770 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.618 2.089 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.508 1.352 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.846 4.253 -3.302 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.186 2.989 0.708 1.00 0.00 H new ATOM 0 HE2 TYR D 19 3.566 5.876 -1.446 1.00 0.00 H new ATOM 0 HH TYR D 19 2.592 6.295 0.518 1.00 0.00 H new ATOM 830 N ASN D 20 1.322 3.742 -5.726 1.00 0.00 N ATOM 831 CA ASN D 20 0.772 5.060 -6.031 1.00 0.00 C ATOM 832 C ASN D 20 -0.667 4.891 -6.508 1.00 0.00 C ATOM 833 O ASN D 20 -1.556 5.576 -6.014 1.00 0.00 O ATOM 834 CB ASN D 20 1.632 5.786 -7.075 1.00 0.00 C ATOM 835 CG ASN D 20 1.750 7.268 -6.739 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.797 8.038 -6.829 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.955 7.725 -6.437 1.00 0.00 N ATOM 0 H ASN D 20 2.024 3.413 -6.389 1.00 0.00 H new ATOM 0 HA ASN D 20 0.779 5.679 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.624 5.336 -7.112 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.190 5.666 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.097 8.722 -6.277 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.742 7.080 -6.364 1.00 0.00 H new ATOM 844 N ASP D 21 -0.906 3.931 -7.408 1.00 0.00 N ATOM 845 CA ASP D 21 -2.238 3.643 -7.947 1.00 0.00 C ATOM 846 C ASP D 21 -3.165 3.061 -6.871 1.00 0.00 C ATOM 847 O ASP D 21 -4.336 3.438 -6.790 1.00 0.00 O ATOM 848 CB ASP D 21 -2.128 2.677 -9.128 1.00 0.00 C ATOM 849 CG ASP D 21 -3.497 2.458 -9.766 1.00 0.00 C ATOM 850 OD1 ASP D 21 -3.858 3.229 -10.687 1.00 0.00 O ATOM 851 OD2 ASP D 21 -4.169 1.460 -9.431 1.00 0.00 O ATOM 0 H ASP D 21 -0.175 3.328 -7.785 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.673 4.582 -8.289 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.434 3.075 -9.868 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -1.721 1.724 -8.790 1.00 0.00 H new ATOM 856 N LEU D 22 -2.595 2.291 -5.933 1.00 0.00 N ATOM 857 CA LEU D 22 -3.239 1.629 -4.799 1.00 0.00 C ATOM 858 C LEU D 22 -4.006 2.631 -3.938 1.00 0.00 C ATOM 859 O LEU D 22 -4.921 2.240 -3.212 1.00 0.00 O ATOM 860 CB LEU D 22 -2.151 0.903 -3.983 1.00 0.00 C ATOM 861 CG LEU D 22 -2.623 0.130 -2.743 1.00 0.00 C ATOM 862 CD1 LEU D 22 -3.447 -1.102 -3.124 1.00 0.00 C ATOM 863 CD2 LEU D 22 -1.407 -0.304 -1.915 1.00 0.00 C ATOM 0 H LEU D 22 -1.593 2.103 -5.953 1.00 0.00 H new ATOM 0 HA LEU D 22 -3.970 0.905 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -1.638 0.205 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.415 1.641 -3.665 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.260 0.793 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -3.763 -1.622 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.326 -0.791 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -2.840 -1.771 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -1.743 -0.853 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -0.765 -0.945 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -0.847 0.577 -1.601 1.00 0.00 H new ATOM 875 N GLN D 23 -3.665 3.922 -4.015 1.00 0.00 N ATOM 876 CA GLN D 23 -4.344 4.968 -3.271 1.00 0.00 C ATOM 877 C GLN D 23 -5.853 4.915 -3.571 1.00 0.00 C ATOM 878 O GLN D 23 -6.673 5.160 -2.682 1.00 0.00 O ATOM 879 CB GLN D 23 -3.718 6.337 -3.618 1.00 0.00 C ATOM 880 CG GLN D 23 -4.171 6.909 -4.978 1.00 0.00 C ATOM 881 CD GLN D 23 -3.473 8.192 -5.435 1.00 0.00 C ATOM 882 OE1 GLN D 23 -3.788 8.710 -6.504 1.00 0.00 O ATOM 883 NE2 GLN D 23 -2.706 8.857 -4.589 1.00 0.00 N ATOM 0 H GLN D 23 -2.904 4.264 -4.602 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.220 4.817 -2.199 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.971 7.050 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.632 6.238 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -4.017 6.145 -5.740 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.243 7.100 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -2.441 8.433 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -2.379 9.794 -4.825 1.00 0.00 H new ATOM 892 N GLN D 24 -6.218 4.553 -4.806 1.00 0.00 N ATOM 893 CA GLN D 24 -7.590 4.452 -5.266 1.00 0.00 C ATOM 894 C GLN D 24 -8.314 3.241 -4.675 1.00 0.00 C ATOM 895 O GLN D 24 -9.499 3.360 -4.380 1.00 0.00 O ATOM 896 CB GLN D 24 -7.619 4.416 -6.795 1.00 0.00 C ATOM 897 CG GLN D 24 -7.231 5.791 -7.361 1.00 0.00 C ATOM 898 CD GLN D 24 -7.271 5.815 -8.880 1.00 0.00 C ATOM 899 OE1 GLN D 24 -6.266 6.074 -9.531 1.00 0.00 O ATOM 900 NE2 GLN D 24 -8.422 5.585 -9.488 1.00 0.00 N ATOM 0 H GLN D 24 -5.538 4.317 -5.529 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.126 5.334 -4.916 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -6.930 3.655 -7.162 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.615 4.139 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -7.909 6.549 -6.969 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -6.229 6.053 -7.021 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.255 5.370 -8.939 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -8.478 5.623 -10.506 1.00 0.00 H new ATOM 909 N TYR D 25 -7.619 2.132 -4.404 1.00 0.00 N ATOM 910 CA TYR D 25 -8.198 0.911 -3.844 1.00 0.00 C ATOM 911 C TYR D 25 -8.955 1.245 -2.563 1.00 0.00 C ATOM 912 O TYR D 25 -10.176 1.071 -2.491 1.00 0.00 O ATOM 913 CB TYR D 25 -7.085 -0.128 -3.603 1.00 0.00 C ATOM 914 CG TYR D 25 -7.515 -1.552 -3.272 1.00 0.00 C ATOM 915 CD1 TYR D 25 -8.255 -1.845 -2.106 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.087 -2.614 -4.095 1.00 0.00 C ATOM 917 CE1 TYR D 25 -8.571 -3.177 -1.778 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.410 -3.943 -3.781 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.139 -4.233 -2.611 1.00 0.00 C ATOM 920 OH TYR D 25 -8.400 -5.528 -2.294 1.00 0.00 O ATOM 0 H TYR D 25 -6.616 2.059 -4.572 1.00 0.00 H new ATOM 0 HA TYR D 25 -8.909 0.476 -4.546 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -6.459 -0.164 -4.494 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.458 0.233 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -8.581 -1.042 -1.461 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.503 -2.402 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -9.144 -3.392 -0.888 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.100 -4.743 -4.436 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.027 -6.115 -2.984 1.00 0.00 H new ATOM 930 N LEU D 26 -8.224 1.745 -1.558 1.00 0.00 N ATOM 931 CA LEU D 26 -8.782 2.108 -0.261 1.00 0.00 C ATOM 932 C LEU D 26 -9.797 3.233 -0.417 1.00 0.00 C ATOM 933 O LEU D 26 -10.840 3.215 0.237 1.00 0.00 O ATOM 934 CB LEU D 26 -7.693 2.516 0.746 1.00 0.00 C ATOM 935 CG LEU D 26 -6.739 1.378 1.172 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.490 1.323 0.281 1.00 0.00 C ATOM 937 CD2 LEU D 26 -6.284 1.579 2.622 1.00 0.00 C ATOM 0 H LEU D 26 -7.220 1.908 -1.629 1.00 0.00 H new ATOM 0 HA LEU D 26 -9.280 1.223 0.135 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -7.102 3.322 0.312 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -8.175 2.918 1.637 1.00 0.00 H new ATOM 0 HG LEU D 26 -7.292 0.444 1.071 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -4.843 0.510 0.611 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -5.788 1.152 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -4.951 2.268 0.352 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -5.612 0.770 2.908 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -5.762 2.532 2.711 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -7.153 1.579 3.280 1.00 0.00 H new ATOM 949 N ASN D 27 -9.526 4.191 -1.312 1.00 0.00 N ATOM 950 CA ASN D 27 -10.426 5.313 -1.554 1.00 0.00 C ATOM 951 C ASN D 27 -11.804 4.807 -1.948 1.00 0.00 C ATOM 952 O ASN D 27 -12.781 5.283 -1.382 1.00 0.00 O ATOM 953 CB ASN D 27 -9.884 6.273 -2.627 1.00 0.00 C ATOM 954 CG ASN D 27 -9.300 7.549 -2.044 1.00 0.00 C ATOM 955 OD1 ASN D 27 -8.819 7.582 -0.913 1.00 0.00 O ATOM 956 ND2 ASN D 27 -9.359 8.642 -2.780 1.00 0.00 N ATOM 0 H ASN D 27 -8.681 4.206 -1.883 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.500 5.876 -0.623 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.117 5.762 -3.209 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -10.689 6.530 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -9.004 9.524 -2.412 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -9.760 8.605 -3.717 1.00 0.00 H new ATOM 963 N VAL D 28 -11.911 3.831 -2.852 1.00 0.00 N ATOM 964 CA VAL D 28 -13.202 3.294 -3.273 1.00 0.00 C ATOM 965 C VAL D 28 -13.845 2.473 -2.135 1.00 0.00 C ATOM 966 O VAL D 28 -15.074 2.339 -2.112 1.00 0.00 O ATOM 967 CB VAL D 28 -13.036 2.502 -4.593 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.355 1.899 -5.097 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.504 3.347 -5.755 1.00 0.00 C ATOM 0 H VAL D 28 -11.110 3.395 -3.309 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.895 4.109 -3.482 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.320 1.726 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.176 1.356 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.752 1.215 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.075 2.698 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.414 2.725 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.193 4.168 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.526 3.750 -5.494 1.00 0.00 H new ATOM 979 N VAL D 29 -13.082 1.910 -1.184 1.00 0.00 N ATOM 980 CA VAL D 29 -13.660 1.137 -0.083 1.00 0.00 C ATOM 981 C VAL D 29 -14.360 2.092 0.881 1.00 0.00 C ATOM 982 O VAL D 29 -15.579 2.026 1.038 1.00 0.00 O ATOM 983 CB VAL D 29 -12.630 0.248 0.656 1.00 0.00 C ATOM 984 CG1 VAL D 29 -13.293 -0.489 1.831 1.00 0.00 C ATOM 985 CG2 VAL D 29 -12.011 -0.840 -0.228 1.00 0.00 C ATOM 0 H VAL D 29 -12.065 1.978 -1.159 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.382 0.442 -0.511 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.852 0.939 0.981 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -12.552 -1.108 2.337 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -13.699 0.238 2.534 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -14.099 -1.120 1.456 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.300 -1.423 0.357 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.797 -1.496 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.495 -0.376 -1.069 1.00 0.00 H new ATOM 995 N THR D 30 -13.623 2.991 1.528 1.00 0.00 N ATOM 996 CA THR D 30 -14.180 3.928 2.498 1.00 0.00 C ATOM 997 C THR D 30 -14.700 5.221 1.872 1.00 0.00 C ATOM 998 O THR D 30 -15.141 6.091 2.612 1.00 0.00 O ATOM 999 CB THR D 30 -13.103 4.199 3.567 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.893 4.587 2.942 1.00 0.00 O ATOM 1001 CG2 THR D 30 -12.830 2.945 4.410 1.00 0.00 C ATOM 0 H THR D 30 -12.617 3.090 1.393 1.00 0.00 H new ATOM 0 HA THR D 30 -15.062 3.475 2.952 1.00 0.00 H new ATOM 0 HB THR D 30 -13.472 4.994 4.215 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.401 5.196 3.532 1.00 0.00 H new ATOM 0 HG21 THR D 30 -12.066 3.167 5.155 1.00 0.00 H new ATOM 0 HG22 THR D 30 -13.747 2.637 4.911 1.00 0.00 H new ATOM 0 HG23 THR D 30 -12.482 2.140 3.763 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.809 5.318 0.542 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.243 6.521 -0.191 1.00 0.00 C ATOM 1011 C ARG D 31 -14.505 7.749 0.362 1.00 0.00 C ATOM 1012 O ARG D 31 -15.113 8.764 0.696 1.00 0.00 O ATOM 1013 CB ARG D 31 -16.770 6.689 -0.280 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.119 7.624 -1.463 1.00 0.00 C ATOM 1015 CD ARG D 31 -17.982 8.839 -1.105 1.00 0.00 C ATOM 1016 NE ARG D 31 -19.328 8.459 -0.660 1.00 0.00 N ATOM 1017 CZ ARG D 31 -20.360 8.083 -1.420 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.265 7.973 -2.744 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -21.509 7.799 -0.827 1.00 0.00 N ATOM 0 H ARG D 31 -14.591 4.537 -0.077 1.00 0.00 H new ATOM 0 HA ARG D 31 -14.959 6.400 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.246 5.718 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.156 7.104 0.651 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -16.191 7.978 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.638 7.042 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -17.490 9.411 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -18.061 9.493 -1.973 1.00 0.00 H new ATOM 0 HE ARG D 31 -19.495 8.485 0.346 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -19.382 8.179 -3.211 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -21.075 7.683 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -21.591 7.870 0.187 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.313 7.509 -1.384 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.197 7.581 0.569 1.00 0.00 N ATOM 1034 CA HIS D 32 -12.262 8.570 1.091 1.00 0.00 C ATOM 1035 C HIS D 32 -12.669 9.172 2.454 1.00 0.00 C ATOM 1036 O HIS D 32 -12.082 10.175 2.858 1.00 0.00 O ATOM 1037 CB HIS D 32 -11.976 9.626 0.007 1.00 0.00 C ATOM 1038 CG HIS D 32 -10.755 10.475 0.275 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -9.447 10.042 0.313 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -10.744 11.825 0.490 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -8.661 11.113 0.521 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -9.410 12.220 0.623 1.00 0.00 N ATOM 0 H HIS D 32 -12.738 6.694 0.362 1.00 0.00 H new ATOM 0 HA HIS D 32 -11.330 8.055 1.324 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -11.851 9.122 -0.951 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -12.844 10.278 -0.087 1.00 0.00 H new ATOM 0 HD1 HIS D 32 -9.131 9.079 0.203 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -11.609 12.469 0.547 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -7.584 11.085 0.595 1.00 0.00 H new ATOM 1050 N ARG D 33 -13.552 8.537 3.243 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.030 8.996 4.564 1.00 0.00 C ATOM 1052 C ARG D 33 -12.950 8.987 5.670 1.00 0.00 C ATOM 1053 O ARG D 33 -13.262 8.688 6.823 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.258 8.148 4.986 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.544 8.330 4.152 1.00 0.00 C ATOM 1056 CD ARG D 33 -17.655 7.337 4.546 1.00 0.00 C ATOM 1057 NE ARG D 33 -17.950 7.409 5.983 1.00 0.00 N ATOM 1058 CZ ARG D 33 -18.685 6.573 6.716 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -19.384 5.583 6.178 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -18.694 6.722 8.030 1.00 0.00 N ATOM 0 H ARG D 33 -13.973 7.650 2.968 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.309 10.043 4.450 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -14.974 7.096 4.949 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.491 8.379 6.025 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -16.912 9.348 4.277 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.308 8.204 3.095 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -18.558 7.554 3.976 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.349 6.324 4.286 1.00 0.00 H new ATOM 0 HE ARG D 33 -17.541 8.198 6.483 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -19.371 5.440 5.168 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -19.934 4.965 6.774 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -18.146 7.465 8.463 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -19.249 6.094 8.611 1.00 0.00 H new ATOM 1074 N TYR D 34 -11.666 9.050 5.319 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.546 9.041 6.249 1.00 0.00 C ATOM 1076 C TYR D 34 -9.371 9.893 5.749 1.00 0.00 C ATOM 1077 O TYR D 34 -8.362 10.016 6.437 1.00 0.00 O ATOM 1078 CB TYR D 34 -10.097 7.595 6.507 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.212 6.989 5.429 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -9.731 6.642 4.164 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -7.858 6.741 5.717 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -8.904 6.027 3.202 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -7.031 6.115 4.773 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.552 5.747 3.517 1.00 0.00 C ATOM 1085 OH TYR D 34 -6.719 5.145 2.626 1.00 0.00 O ATOM 0 H TYR D 34 -11.371 9.111 4.345 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.885 9.487 7.184 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.561 7.562 7.456 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -10.984 6.971 6.620 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -10.765 6.848 3.932 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -7.452 7.035 6.673 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -9.299 5.771 2.230 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -5.996 5.915 5.009 1.00 0.00 H new ATOM 0 HH TYR D 34 -5.831 5.040 3.028 1.00 0.00 H new