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= 0.984 K(o=1.1,f=-1.6) USER MOD Set 1.2: D 32 HIS : no HE2:sc= 0.112 K(o=1.1,f=-0.58) USER MOD Set 1.3: D 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: C 27 ASN :FLIP amide:sc= 0.0904 F(o=-0.86,f=0.4) USER MOD Set 2.2: C 32 HIS : no HE2:sc= 0.223 K(o=0.4,f=-0.86) USER MOD Set 2.3: C 34 TYR OH : rot -134:sc= 0.088 USER MOD Single : C 19 TYR OH : rot -17:sc= 1.13 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : C 23 GLN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 25 TYR OH : rot 180:sc= 0 USER MOD Single : C 30 THR OG1 : rot -51:sc= 1.2 USER MOD Single : D 19 TYR OH : rot 6:sc= 1.11 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 23 GLN : amide:sc=-0.00274 K(o=-0.0027,f=-3.2!) 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 -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N PRO C 11 -6.445 -8.294 5.853 1.00 0.00 N ATOM 122 CA PRO C 11 -7.811 -7.806 5.710 1.00 0.00 C ATOM 123 C PRO C 11 -7.822 -6.299 5.448 1.00 0.00 C ATOM 124 O PRO C 11 -6.973 -5.574 5.970 1.00 0.00 O ATOM 125 CB PRO C 11 -8.506 -8.161 7.030 1.00 0.00 C ATOM 126 CG PRO C 11 -7.364 -8.158 8.044 1.00 0.00 C ATOM 127 CD PRO C 11 -6.179 -8.678 7.232 1.00 0.00 C ATOM 0 HA PRO C 11 -8.325 -8.257 4.861 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.274 -7.432 7.288 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -8.994 -9.134 6.978 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.176 -7.159 8.437 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.581 -8.800 8.897 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.243 -8.245 7.585 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.085 -9.760 7.326 1.00 0.00 H new ATOM 135 N VAL C 12 -8.896 -5.814 4.821 1.00 0.00 N ATOM 136 CA VAL C 12 -9.117 -4.413 4.458 1.00 0.00 C ATOM 137 C VAL C 12 -8.870 -3.461 5.629 1.00 0.00 C ATOM 138 O VAL C 12 -8.153 -2.473 5.468 1.00 0.00 O ATOM 139 CB VAL C 12 -10.555 -4.252 3.915 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.922 -2.807 3.547 1.00 0.00 C ATOM 141 CG2 VAL C 12 -10.762 -5.093 2.656 1.00 0.00 C ATOM 0 H VAL C 12 -9.671 -6.415 4.540 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.396 -4.145 3.686 1.00 0.00 H new ATOM 0 HB VAL C 12 -11.194 -4.581 4.734 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.946 -2.775 3.174 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.838 -2.174 4.430 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -10.243 -2.445 2.775 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.782 -4.962 2.294 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.060 -4.774 1.886 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -10.592 -6.144 2.889 1.00 0.00 H new ATOM 151 N GLU C 13 -9.487 -3.750 6.776 1.00 0.00 N ATOM 152 CA GLU C 13 -9.413 -2.974 8.005 1.00 0.00 C ATOM 153 C GLU C 13 -7.968 -2.735 8.450 1.00 0.00 C ATOM 154 O GLU C 13 -7.660 -1.654 8.950 1.00 0.00 O ATOM 155 CB GLU C 13 -10.228 -3.734 9.063 1.00 0.00 C ATOM 156 CG GLU C 13 -10.304 -3.042 10.431 1.00 0.00 C ATOM 157 CD GLU C 13 -10.923 -3.970 11.475 1.00 0.00 C ATOM 158 OE1 GLU C 13 -10.262 -4.962 11.865 1.00 0.00 O ATOM 159 OE2 GLU C 13 -12.098 -3.774 11.869 1.00 0.00 O ATOM 0 H GLU C 13 -10.080 -4.574 6.873 1.00 0.00 H new ATOM 0 HA GLU C 13 -9.828 -1.978 7.851 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.241 -3.879 8.687 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.793 -4.724 9.195 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.305 -2.745 10.749 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -10.897 -2.131 10.350 1.00 0.00 H new ATOM 166 N ASP C 14 -7.122 -3.765 8.399 1.00 0.00 N ATOM 167 CA ASP C 14 -5.723 -3.637 8.798 1.00 0.00 C ATOM 168 C ASP C 14 -4.923 -2.970 7.689 1.00 0.00 C ATOM 169 O ASP C 14 -4.178 -2.029 7.949 1.00 0.00 O ATOM 170 CB ASP C 14 -5.133 -5.011 9.108 1.00 0.00 C ATOM 171 CG ASP C 14 -3.737 -4.880 9.720 1.00 0.00 C ATOM 172 OD1 ASP C 14 -2.750 -4.902 8.957 1.00 0.00 O ATOM 173 OD2 ASP C 14 -3.622 -5.226 10.921 1.00 0.00 O ATOM 0 H ASP C 14 -7.384 -4.699 8.084 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.672 -3.020 9.695 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.788 -5.545 9.796 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.080 -5.603 8.194 1.00 0.00 H new ATOM 178 N LEU C 15 -5.185 -3.367 6.438 1.00 0.00 N ATOM 179 CA LEU C 15 -4.525 -2.862 5.241 1.00 0.00 C ATOM 180 C LEU C 15 -4.636 -1.340 5.126 1.00 0.00 C ATOM 181 O LEU C 15 -3.704 -0.713 4.636 1.00 0.00 O ATOM 182 CB LEU C 15 -5.045 -3.618 4.006 1.00 0.00 C ATOM 183 CG LEU C 15 -4.153 -3.473 2.759 1.00 0.00 C ATOM 184 CD1 LEU C 15 -2.824 -4.233 2.890 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.872 -4.060 1.541 1.00 0.00 C ATOM 0 H LEU C 15 -5.889 -4.075 6.230 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.455 -3.056 5.311 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.137 -4.676 4.253 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.046 -3.258 3.768 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.952 -2.407 2.650 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.236 -4.096 1.983 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.268 -3.849 3.745 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.025 -5.294 3.035 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.239 -3.956 0.660 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.081 -5.115 1.716 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.809 -3.527 1.380 1.00 0.00 H new ATOM 197 N ILE C 16 -5.724 -0.725 5.602 1.00 0.00 N ATOM 198 CA ILE C 16 -5.907 0.728 5.569 1.00 0.00 C ATOM 199 C ILE C 16 -4.857 1.379 6.476 1.00 0.00 C ATOM 200 O ILE C 16 -4.236 2.374 6.090 1.00 0.00 O ATOM 201 CB ILE C 16 -7.339 1.083 6.036 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.359 0.724 4.940 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.514 2.572 6.385 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.748 0.449 5.510 1.00 0.00 C ATOM 0 H ILE C 16 -6.507 -1.226 6.023 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.779 1.102 4.553 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.511 0.502 6.942 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.419 1.541 4.221 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.011 -0.154 4.396 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.540 2.753 6.705 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -6.830 2.840 7.191 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.295 3.180 5.507 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.432 0.200 4.698 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.696 -0.386 6.209 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.110 1.336 6.030 1.00 0.00 H new ATOM 216 N ARG C 17 -4.782 0.913 7.726 1.00 0.00 N ATOM 217 CA ARG C 17 -3.858 1.410 8.739 1.00 0.00 C ATOM 218 C ARG C 17 -2.427 1.199 8.269 1.00 0.00 C ATOM 219 O ARG C 17 -1.644 2.150 8.234 1.00 0.00 O ATOM 220 CB ARG C 17 -4.147 0.689 10.078 1.00 0.00 C ATOM 221 CG ARG C 17 -4.304 1.685 11.229 1.00 0.00 C ATOM 222 CD ARG C 17 -5.647 2.427 11.166 1.00 0.00 C ATOM 223 NE ARG C 17 -5.559 3.736 11.829 1.00 0.00 N ATOM 224 CZ ARG C 17 -6.561 4.449 12.347 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.787 3.941 12.456 1.00 0.00 N ATOM 226 NH2 ARG C 17 -6.338 5.701 12.725 1.00 0.00 N ATOM 0 H ARG C 17 -5.380 0.160 8.066 1.00 0.00 H new ATOM 0 HA ARG C 17 -3.995 2.480 8.896 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.056 0.094 9.984 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.335 -0.003 10.302 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -4.225 1.157 12.179 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.488 2.407 11.198 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.943 2.562 10.126 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.421 1.826 11.643 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.627 4.145 11.901 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.975 2.989 12.140 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -8.538 4.503 12.855 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -5.409 6.108 12.618 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -7.096 6.256 13.122 1.00 0.00 H new ATOM 240 N PHE C 18 -2.147 -0.015 7.813 1.00 0.00 N ATOM 241 CA PHE C 18 -0.867 -0.449 7.302 1.00 0.00 C ATOM 242 C PHE C 18 -0.425 0.441 6.139 1.00 0.00 C ATOM 243 O PHE C 18 0.680 0.968 6.179 1.00 0.00 O ATOM 244 CB PHE C 18 -1.017 -1.919 6.889 1.00 0.00 C ATOM 245 CG PHE C 18 -0.038 -2.390 5.843 1.00 0.00 C ATOM 246 CD1 PHE C 18 -0.357 -2.209 4.487 1.00 0.00 C ATOM 247 CD2 PHE C 18 1.197 -2.953 6.210 1.00 0.00 C ATOM 248 CE1 PHE C 18 0.562 -2.559 3.498 1.00 0.00 C ATOM 249 CE2 PHE C 18 2.110 -3.338 5.215 1.00 0.00 C ATOM 250 CZ PHE C 18 1.789 -3.135 3.862 1.00 0.00 C ATOM 0 H PHE C 18 -2.847 -0.756 7.791 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.088 -0.364 8.060 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -0.906 -2.543 7.776 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.029 -2.074 6.514 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -1.316 -1.798 4.210 1.00 0.00 H new ATOM 0 HD2 PHE C 18 1.442 -3.089 7.253 1.00 0.00 H new ATOM 0 HE1 PHE C 18 0.331 -2.388 2.457 1.00 0.00 H new ATOM 0 HE2 PHE C 18 3.053 -3.787 5.488 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.493 -3.425 3.096 1.00 0.00 H new ATOM 260 N TYR C 19 -1.297 0.709 5.160 1.00 0.00 N ATOM 261 CA TYR C 19 -0.989 1.525 3.987 1.00 0.00 C ATOM 262 C TYR C 19 -0.496 2.922 4.358 1.00 0.00 C ATOM 263 O TYR C 19 0.387 3.471 3.689 1.00 0.00 O ATOM 264 CB TYR C 19 -2.232 1.621 3.094 1.00 0.00 C ATOM 265 CG TYR C 19 -2.034 2.454 1.845 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.578 1.836 0.669 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.325 3.832 1.846 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.396 2.592 -0.501 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.136 4.596 0.677 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.645 3.980 -0.496 1.00 0.00 C ATOM 271 OH TYR C 19 -1.376 4.722 -1.606 1.00 0.00 O ATOM 0 H TYR C 19 -2.254 0.356 5.164 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.176 1.037 3.448 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.535 0.615 2.803 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.051 2.045 3.675 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.367 0.777 0.664 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -2.694 4.304 2.745 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.064 2.108 -1.408 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -2.366 5.651 0.678 1.00 0.00 H new ATOM 0 HH TYR C 19 -0.780 4.219 -2.199 1.00 0.00 H new ATOM 281 N ASN C 20 -1.082 3.507 5.404 1.00 0.00 N ATOM 282 CA ASN C 20 -0.717 4.839 5.860 1.00 0.00 C ATOM 283 C ASN C 20 0.712 4.867 6.390 1.00 0.00 C ATOM 284 O ASN C 20 1.429 5.843 6.168 1.00 0.00 O ATOM 285 CB ASN C 20 -1.704 5.317 6.930 1.00 0.00 C ATOM 286 CG ASN C 20 -1.839 6.829 6.862 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.895 7.576 7.108 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.992 7.302 6.423 1.00 0.00 N ATOM 0 H ASN C 20 -1.820 3.068 5.954 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.766 5.519 5.009 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.676 4.848 6.778 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.357 5.017 7.919 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.111 8.305 6.282 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.763 6.664 6.225 1.00 0.00 H new ATOM 295 N ASP C 21 1.129 3.809 7.091 1.00 0.00 N ATOM 296 CA ASP C 21 2.483 3.708 7.640 1.00 0.00 C ATOM 297 C ASP C 21 3.453 3.136 6.595 1.00 0.00 C ATOM 298 O ASP C 21 4.625 3.499 6.589 1.00 0.00 O ATOM 299 CB ASP C 21 2.495 2.905 8.952 1.00 0.00 C ATOM 300 CG ASP C 21 2.106 3.765 10.161 1.00 0.00 C ATOM 301 OD1 ASP C 21 2.637 4.894 10.311 1.00 0.00 O ATOM 302 OD2 ASP C 21 1.244 3.341 10.963 1.00 0.00 O ATOM 0 H ASP C 21 0.540 3.001 7.293 1.00 0.00 H new ATOM 0 HA ASP C 21 2.830 4.712 7.886 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.805 2.065 8.868 1.00 0.00 H new ATOM 0 HB3 ASP C 21 3.489 2.486 9.111 1.00 0.00 H new ATOM 307 N LEU C 22 2.971 2.389 5.596 1.00 0.00 N ATOM 308 CA LEU C 22 3.787 1.809 4.525 1.00 0.00 C ATOM 309 C LEU C 22 4.452 2.924 3.708 1.00 0.00 C ATOM 310 O LEU C 22 5.534 2.713 3.159 1.00 0.00 O ATOM 311 CB LEU C 22 2.909 0.900 3.638 1.00 0.00 C ATOM 312 CG LEU C 22 3.570 0.393 2.336 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.810 -0.466 2.591 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.607 -0.465 1.518 1.00 0.00 C ATOM 0 H LEU C 22 1.980 2.166 5.508 1.00 0.00 H new ATOM 0 HA LEU C 22 4.579 1.197 4.956 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.601 0.036 4.227 1.00 0.00 H new ATOM 0 HB3 LEU C 22 2.003 1.446 3.375 1.00 0.00 H new ATOM 0 HG LEU C 22 3.852 1.298 1.797 1.00 0.00 H new ATOM 0 HD11 LEU C 22 5.229 -0.792 1.639 1.00 0.00 H new ATOM 0 HD12 LEU C 22 5.553 0.119 3.133 1.00 0.00 H new ATOM 0 HD13 LEU C 22 4.533 -1.338 3.183 1.00 0.00 H new ATOM 0 HD21 LEU C 22 3.104 -0.805 0.609 1.00 0.00 H new ATOM 0 HD22 LEU C 22 2.299 -1.329 2.107 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.730 0.125 1.253 1.00 0.00 H new ATOM 326 N GLN C 23 3.875 4.134 3.701 1.00 0.00 N ATOM 327 CA GLN C 23 4.412 5.272 2.971 1.00 0.00 C ATOM 328 C GLN C 23 5.876 5.537 3.362 1.00 0.00 C ATOM 329 O GLN C 23 6.717 5.712 2.479 1.00 0.00 O ATOM 330 CB GLN C 23 3.476 6.496 3.106 1.00 0.00 C ATOM 331 CG GLN C 23 3.701 7.443 4.291 1.00 0.00 C ATOM 332 CD GLN C 23 2.678 8.579 4.259 1.00 0.00 C ATOM 333 OE1 GLN C 23 2.827 9.540 3.504 1.00 0.00 O ATOM 334 NE2 GLN C 23 1.625 8.510 5.054 1.00 0.00 N ATOM 0 H GLN C 23 3.016 4.344 4.209 1.00 0.00 H new ATOM 0 HA GLN C 23 4.441 5.043 1.906 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.556 7.081 2.190 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.451 6.129 3.161 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.615 6.892 5.228 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.711 7.852 4.253 1.00 0.00 H new ATOM 0 HE21 GLN C 23 1.508 7.711 5.677 1.00 0.00 H new ATOM 0 HE22 GLN C 23 0.929 9.256 5.045 1.00 0.00 H new ATOM 343 N GLN C 24 6.206 5.517 4.662 1.00 0.00 N ATOM 344 CA GLN C 24 7.577 5.753 5.115 1.00 0.00 C ATOM 345 C GLN C 24 8.484 4.569 4.780 1.00 0.00 C ATOM 346 O GLN C 24 9.668 4.770 4.519 1.00 0.00 O ATOM 347 CB GLN C 24 7.649 6.100 6.613 1.00 0.00 C ATOM 348 CG GLN C 24 6.897 5.148 7.551 1.00 0.00 C ATOM 349 CD GLN C 24 7.310 5.285 9.010 1.00 0.00 C ATOM 350 OE1 GLN C 24 6.567 5.817 9.831 1.00 0.00 O ATOM 351 NE2 GLN C 24 8.467 4.767 9.383 1.00 0.00 N ATOM 0 H GLN C 24 5.540 5.340 5.414 1.00 0.00 H new ATOM 0 HA GLN C 24 7.941 6.624 4.570 1.00 0.00 H new ATOM 0 HB2 GLN C 24 8.697 6.123 6.912 1.00 0.00 H new ATOM 0 HB3 GLN C 24 7.255 7.106 6.754 1.00 0.00 H new ATOM 0 HG2 GLN C 24 5.827 5.335 7.465 1.00 0.00 H new ATOM 0 HG3 GLN C 24 7.068 4.121 7.228 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.076 4.328 8.692 1.00 0.00 H new ATOM 0 HE22 GLN C 24 8.752 4.806 10.362 1.00 0.00 H new ATOM 360 N TYR C 25 7.977 3.334 4.802 1.00 0.00 N ATOM 361 CA TYR C 25 8.798 2.173 4.482 1.00 0.00 C ATOM 362 C TYR C 25 9.219 2.244 3.016 1.00 0.00 C ATOM 363 O TYR C 25 10.408 2.105 2.711 1.00 0.00 O ATOM 364 CB TYR C 25 8.064 0.875 4.824 1.00 0.00 C ATOM 365 CG TYR C 25 8.730 -0.392 4.314 1.00 0.00 C ATOM 366 CD1 TYR C 25 10.134 -0.506 4.244 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.927 -1.460 3.874 1.00 0.00 C ATOM 368 CE1 TYR C 25 10.720 -1.637 3.660 1.00 0.00 C ATOM 369 CE2 TYR C 25 8.504 -2.601 3.300 1.00 0.00 C ATOM 370 CZ TYR C 25 9.905 -2.681 3.181 1.00 0.00 C ATOM 371 OH TYR C 25 10.480 -3.764 2.607 1.00 0.00 O ATOM 0 H TYR C 25 7.008 3.117 5.037 1.00 0.00 H new ATOM 0 HA TYR C 25 9.702 2.179 5.091 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.966 0.805 5.907 1.00 0.00 H new ATOM 0 HB3 TYR C 25 7.055 0.927 4.415 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.759 0.280 4.641 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.854 -1.400 3.980 1.00 0.00 H new ATOM 0 HE1 TYR C 25 11.794 -1.708 3.577 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.880 -3.411 2.952 1.00 0.00 H new ATOM 0 HH TYR C 25 9.784 -4.396 2.330 1.00 0.00 H new ATOM 381 N LEU C 26 8.276 2.529 2.111 1.00 0.00 N ATOM 382 CA LEU C 26 8.596 2.641 0.693 1.00 0.00 C ATOM 383 C LEU C 26 9.589 3.784 0.494 1.00 0.00 C ATOM 384 O LEU C 26 10.495 3.675 -0.337 1.00 0.00 O ATOM 385 CB LEU C 26 7.335 2.834 -0.158 1.00 0.00 C ATOM 386 CG LEU C 26 6.461 1.566 -0.223 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.178 1.889 -0.981 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.151 0.380 -0.915 1.00 0.00 C ATOM 0 H LEU C 26 7.294 2.684 2.338 1.00 0.00 H new ATOM 0 HA LEU C 26 9.053 1.710 0.358 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.747 3.655 0.252 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.624 3.123 -1.168 1.00 0.00 H new ATOM 0 HG LEU C 26 6.262 1.267 0.806 1.00 0.00 H new ATOM 0 HD11 LEU C 26 4.552 0.998 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.639 2.682 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.425 2.218 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU C 26 6.478 -0.477 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.405 0.654 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.060 0.121 -0.373 1.00 0.00 H new ATOM 400 N ASN C 27 9.463 4.856 1.285 1.00 0.00 N ATOM 401 CA ASN C 27 10.350 6.009 1.227 1.00 0.00 C ATOM 402 C ASN C 27 11.784 5.578 1.542 1.00 0.00 C ATOM 403 O ASN C 27 12.673 5.856 0.744 1.00 0.00 O ATOM 404 CB ASN C 27 9.881 7.109 2.184 1.00 0.00 C ATOM 405 CG ASN C 27 10.338 8.474 1.706 1.00 0.00 C ATOM 406 OD1 ASN C 27 9.478 9.179 0.991 1.00 0.00 O flip ATOM 407 ND2 ASN C 27 11.481 8.877 1.901 1.00 0.00 N flip ATOM 0 H ASN C 27 8.731 4.942 1.990 1.00 0.00 H new ATOM 0 HA ASN C 27 10.325 6.421 0.218 1.00 0.00 H new ATOM 0 HB2 ASN C 27 8.794 7.091 2.260 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.273 6.919 3.183 1.00 0.00 H new ATOM 0 HD21 ASN C 27 12.131 8.319 2.455 1.00 0.00 H new ATOM 0 HD22 ASN C 27 11.781 9.770 1.509 1.00 0.00 H new ATOM 414 N VAL C 28 11.987 4.788 2.603 1.00 0.00 N ATOM 415 CA VAL C 28 13.289 4.282 3.035 1.00 0.00 C ATOM 416 C VAL C 28 13.888 3.306 2.016 1.00 0.00 C ATOM 417 O VAL C 28 14.991 3.533 1.507 1.00 0.00 O ATOM 418 CB VAL C 28 13.151 3.567 4.408 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.425 2.811 4.830 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.813 4.509 5.567 1.00 0.00 C ATOM 0 H VAL C 28 11.223 4.475 3.202 1.00 0.00 H new ATOM 0 HA VAL C 28 13.959 5.137 3.122 1.00 0.00 H new ATOM 0 HB VAL C 28 12.327 2.875 4.233 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.262 2.334 5.797 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.660 2.050 4.086 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.256 3.512 4.907 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.733 3.936 6.491 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.600 5.256 5.670 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.864 5.007 5.366 1.00 0.00 H new ATOM 430 N VAL C 29 13.190 2.204 1.728 1.00 0.00 N ATOM 431 CA VAL C 29 13.668 1.156 0.829 1.00 0.00 C ATOM 432 C VAL C 29 13.981 1.637 -0.588 1.00 0.00 C ATOM 433 O VAL C 29 14.936 1.150 -1.190 1.00 0.00 O ATOM 434 CB VAL C 29 12.716 -0.056 0.914 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.474 0.065 0.029 1.00 0.00 C ATOM 436 CG2 VAL C 29 13.436 -1.375 0.615 1.00 0.00 C ATOM 0 H VAL C 29 12.267 2.015 2.118 1.00 0.00 H new ATOM 0 HA VAL C 29 14.650 0.828 1.170 1.00 0.00 H new ATOM 0 HB VAL C 29 12.373 -0.060 1.949 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.856 -0.826 0.145 1.00 0.00 H new ATOM 0 HG12 VAL C 29 10.902 0.945 0.324 1.00 0.00 H new ATOM 0 HG13 VAL C 29 11.778 0.162 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL C 29 12.728 -2.200 0.686 1.00 0.00 H new ATOM 0 HG22 VAL C 29 13.854 -1.341 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL C 29 14.239 -1.523 1.337 1.00 0.00 H new ATOM 446 N THR C 30 13.315 2.680 -1.082 1.00 0.00 N ATOM 447 CA THR C 30 13.575 3.194 -2.431 1.00 0.00 C ATOM 448 C THR C 30 14.244 4.560 -2.428 1.00 0.00 C ATOM 449 O THR C 30 14.582 5.090 -3.486 1.00 0.00 O ATOM 450 CB THR C 30 12.269 3.287 -3.226 1.00 0.00 C ATOM 451 OG1 THR C 30 11.472 4.323 -2.693 1.00 0.00 O ATOM 452 CG2 THR C 30 11.457 1.993 -3.242 1.00 0.00 C ATOM 0 H THR C 30 12.592 3.187 -0.571 1.00 0.00 H new ATOM 0 HA THR C 30 14.260 2.487 -2.899 1.00 0.00 H new ATOM 0 HB THR C 30 12.553 3.490 -4.259 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.388 4.205 -1.724 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.548 2.141 -3.825 1.00 0.00 H new ATOM 0 HG22 THR C 30 12.050 1.197 -3.691 1.00 0.00 H new ATOM 0 HG23 THR C 30 11.193 1.717 -2.221 1.00 0.00 H new ATOM 460 N ARG C 31 14.514 5.115 -1.250 1.00 0.00 N ATOM 461 CA ARG C 31 15.083 6.448 -1.076 1.00 0.00 C ATOM 462 C ARG C 31 14.228 7.453 -1.871 1.00 0.00 C ATOM 463 O ARG C 31 14.754 8.341 -2.546 1.00 0.00 O ATOM 464 CB ARG C 31 16.581 6.486 -1.407 1.00 0.00 C ATOM 465 CG ARG C 31 17.199 7.723 -0.745 1.00 0.00 C ATOM 466 CD ARG C 31 18.329 8.356 -1.552 1.00 0.00 C ATOM 467 NE ARG C 31 18.477 9.768 -1.173 1.00 0.00 N ATOM 468 CZ ARG C 31 19.417 10.605 -1.619 1.00 0.00 C ATOM 469 NH1 ARG C 31 20.404 10.168 -2.393 1.00 0.00 N ATOM 470 NH2 ARG C 31 19.374 11.884 -1.268 1.00 0.00 N ATOM 0 H ARG C 31 14.338 4.637 -0.366 1.00 0.00 H new ATOM 0 HA ARG C 31 15.044 6.739 -0.026 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.071 5.581 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.729 6.521 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG C 31 16.418 8.467 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.579 7.445 0.238 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.262 7.821 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.117 8.276 -2.618 1.00 0.00 H new ATOM 0 HE ARG C 31 17.800 10.143 -0.509 1.00 0.00 H new ATOM 0 HH11 ARG C 31 20.450 9.183 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG C 31 21.116 10.818 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG C 31 18.627 12.222 -0.662 1.00 0.00 H new ATOM 0 HH22 ARG C 31 20.088 12.530 -1.605 1.00 0.00 H new ATOM 484 N HIS C 32 12.903 7.262 -1.862 1.00 0.00 N ATOM 485 CA HIS C 32 11.907 8.078 -2.557 1.00 0.00 C ATOM 486 C HIS C 32 12.097 8.052 -4.090 1.00 0.00 C ATOM 487 O HIS C 32 11.512 8.872 -4.793 1.00 0.00 O ATOM 488 CB HIS C 32 11.923 9.499 -1.951 1.00 0.00 C ATOM 489 CG HIS C 32 10.685 10.354 -2.110 1.00 0.00 C ATOM 490 ND1 HIS C 32 9.801 10.404 -3.166 1.00 0.00 N ATOM 491 CD2 HIS C 32 10.308 11.328 -1.229 1.00 0.00 C ATOM 492 CE1 HIS C 32 8.914 11.380 -2.916 1.00 0.00 C ATOM 493 NE2 HIS C 32 9.184 11.975 -1.742 1.00 0.00 N ATOM 0 H HIS C 32 12.478 6.494 -1.342 1.00 0.00 H new ATOM 0 HA HIS C 32 10.913 7.657 -2.404 1.00 0.00 H new ATOM 0 HB2 HIS C 32 12.129 9.405 -0.885 1.00 0.00 H new ATOM 0 HB3 HIS C 32 12.761 10.040 -2.391 1.00 0.00 H new ATOM 0 HD1 HIS C 32 9.818 9.805 -3.992 1.00 0.00 H new ATOM 0 HD2 HIS C 32 10.797 11.558 -0.294 1.00 0.00 H new ATOM 0 HE1 HIS C 32 8.097 11.650 -3.568 1.00 0.00 H new ATOM 501 N ARG C 33 12.905 7.150 -4.667 1.00 0.00 N ATOM 502 CA ARG C 33 13.124 7.090 -6.119 1.00 0.00 C ATOM 503 C ARG C 33 11.926 6.543 -6.898 1.00 0.00 C ATOM 504 O ARG C 33 12.016 6.451 -8.124 1.00 0.00 O ATOM 505 CB ARG C 33 14.410 6.306 -6.455 1.00 0.00 C ATOM 506 CG ARG C 33 15.711 6.931 -5.919 1.00 0.00 C ATOM 507 CD ARG C 33 15.919 8.356 -6.441 1.00 0.00 C ATOM 508 NE ARG C 33 17.185 8.933 -5.983 1.00 0.00 N ATOM 509 CZ ARG C 33 18.332 9.070 -6.652 1.00 0.00 C ATOM 510 NH1 ARG C 33 18.485 8.570 -7.872 1.00 0.00 N ATOM 511 NH2 ARG C 33 19.308 9.762 -6.072 1.00 0.00 N ATOM 0 H ARG C 33 13.423 6.445 -4.143 1.00 0.00 H new ATOM 0 HA ARG C 33 13.247 8.122 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG C 33 14.317 5.297 -6.054 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.488 6.213 -7.538 1.00 0.00 H new ATOM 0 HG2 ARG C 33 15.685 6.944 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG C 33 16.558 6.311 -6.210 1.00 0.00 H new ATOM 0 HD2 ARG C 33 15.898 8.349 -7.531 1.00 0.00 H new ATOM 0 HD3 ARG C 33 15.094 8.986 -6.110 1.00 0.00 H new ATOM 0 HE ARG C 33 17.191 9.277 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG C 33 17.717 8.069 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG C 33 19.371 8.687 -8.364 1.00 0.00 H new ATOM 0 HH21 ARG C 33 19.166 10.167 -5.147 1.00 0.00 H new ATOM 0 HH22 ARG C 33 20.199 9.888 -6.552 1.00 0.00 H new ATOM 525 N TYR C 34 10.838 6.128 -6.240 1.00 0.00 N ATOM 526 CA TYR C 34 9.667 5.616 -6.933 1.00 0.00 C ATOM 527 C TYR C 34 9.086 6.673 -7.876 1.00 0.00 C ATOM 528 O TYR C 34 9.313 7.876 -7.730 1.00 0.00 O ATOM 529 CB TYR C 34 8.637 5.125 -5.915 1.00 0.00 C ATOM 530 CG TYR C 34 8.345 6.015 -4.722 1.00 0.00 C ATOM 531 CD1 TYR C 34 7.679 7.243 -4.865 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.711 5.576 -3.440 1.00 0.00 C ATOM 533 CE1 TYR C 34 7.410 8.033 -3.733 1.00 0.00 C ATOM 534 CE2 TYR C 34 8.460 6.361 -2.305 1.00 0.00 C ATOM 535 CZ TYR C 34 7.806 7.604 -2.446 1.00 0.00 C ATOM 536 OH TYR C 34 7.571 8.384 -1.355 1.00 0.00 O ATOM 0 H TYR C 34 10.751 6.140 -5.224 1.00 0.00 H new ATOM 0 HA TYR C 34 9.958 4.768 -7.552 1.00 0.00 H new ATOM 0 HB2 TYR C 34 7.699 4.954 -6.443 1.00 0.00 H new ATOM 0 HB3 TYR C 34 8.972 4.159 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR C 34 7.373 7.581 -5.844 1.00 0.00 H new ATOM 0 HD2 TYR C 34 9.194 4.617 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR C 34 6.896 8.976 -3.848 1.00 0.00 H new ATOM 0 HE2 TYR C 34 8.766 6.016 -1.328 1.00 0.00 H new ATOM 0 HH TYR C 34 8.378 8.422 -0.800 1.00 0.00 H new ATOM 670 N PRO D 11 6.908 -8.635 -5.220 1.00 0.00 N ATOM 671 CA PRO D 11 8.224 -8.005 -5.253 1.00 0.00 C ATOM 672 C PRO D 11 8.101 -6.502 -4.996 1.00 0.00 C ATOM 673 O PRO D 11 7.097 -5.886 -5.350 1.00 0.00 O ATOM 674 CB PRO D 11 8.796 -8.314 -6.639 1.00 0.00 C ATOM 675 CG PRO D 11 7.566 -8.588 -7.499 1.00 0.00 C ATOM 676 CD PRO D 11 6.562 -9.181 -6.521 1.00 0.00 C ATOM 0 HA PRO D 11 8.886 -8.385 -4.475 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.374 -7.476 -7.027 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.463 -9.176 -6.612 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.187 -7.674 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO D 11 7.791 -9.281 -8.310 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.542 -8.915 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.617 -10.270 -6.516 1.00 0.00 H new ATOM 684 N VAL D 12 9.143 -5.892 -4.422 1.00 0.00 N ATOM 685 CA VAL D 12 9.137 -4.463 -4.109 1.00 0.00 C ATOM 686 C VAL D 12 8.896 -3.632 -5.368 1.00 0.00 C ATOM 687 O VAL D 12 8.108 -2.695 -5.339 1.00 0.00 O ATOM 688 CB VAL D 12 10.443 -4.000 -3.419 1.00 0.00 C ATOM 689 CG1 VAL D 12 10.153 -2.812 -2.488 1.00 0.00 C ATOM 690 CG2 VAL D 12 11.170 -5.098 -2.633 1.00 0.00 C ATOM 0 H VAL D 12 10.006 -6.371 -4.164 1.00 0.00 H new ATOM 0 HA VAL D 12 8.319 -4.304 -3.407 1.00 0.00 H new ATOM 0 HB VAL D 12 11.114 -3.709 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.077 -2.493 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL D 12 9.742 -1.986 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL D 12 9.433 -3.113 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL D 12 12.073 -4.686 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL D 12 10.515 -5.479 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL D 12 11.439 -5.911 -3.307 1.00 0.00 H new ATOM 700 N GLU D 13 9.524 -4.026 -6.474 1.00 0.00 N ATOM 701 CA GLU D 13 9.445 -3.363 -7.765 1.00 0.00 C ATOM 702 C GLU D 13 8.005 -3.096 -8.203 1.00 0.00 C ATOM 703 O GLU D 13 7.699 -1.982 -8.636 1.00 0.00 O ATOM 704 CB GLU D 13 10.233 -4.225 -8.752 1.00 0.00 C ATOM 705 CG GLU D 13 10.492 -3.543 -10.100 1.00 0.00 C ATOM 706 CD GLU D 13 11.833 -3.981 -10.696 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.235 -5.153 -10.513 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.663 -3.082 -10.968 1.00 0.00 O ATOM 0 H GLU D 13 10.125 -4.850 -6.491 1.00 0.00 H new ATOM 0 HA GLU D 13 9.884 -2.367 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.189 -4.494 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.689 -5.154 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU D 13 9.687 -3.786 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.485 -2.461 -9.970 1.00 0.00 H new ATOM 715 N ASP D 14 7.135 -4.099 -8.072 1.00 0.00 N ATOM 716 CA ASP D 14 5.731 -3.971 -8.442 1.00 0.00 C ATOM 717 C ASP D 14 4.932 -3.339 -7.306 1.00 0.00 C ATOM 718 O ASP D 14 4.089 -2.481 -7.557 1.00 0.00 O ATOM 719 CB ASP D 14 5.136 -5.333 -8.793 1.00 0.00 C ATOM 720 CG ASP D 14 3.754 -5.128 -9.408 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.714 -4.666 -10.572 1.00 0.00 O ATOM 722 OD2 ASP D 14 2.775 -5.712 -8.890 1.00 0.00 O ATOM 0 H ASP D 14 7.386 -5.018 -7.708 1.00 0.00 H new ATOM 0 HA ASP D 14 5.674 -3.326 -9.319 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.785 -5.858 -9.493 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.062 -5.953 -7.900 1.00 0.00 H new ATOM 727 N LEU D 15 5.247 -3.700 -6.052 1.00 0.00 N ATOM 728 CA LEU D 15 4.590 -3.189 -4.847 1.00 0.00 C ATOM 729 C LEU D 15 4.592 -1.664 -4.844 1.00 0.00 C ATOM 730 O LEU D 15 3.597 -1.055 -4.450 1.00 0.00 O ATOM 731 CB LEU D 15 5.280 -3.737 -3.585 1.00 0.00 C ATOM 732 CG LEU D 15 4.614 -3.310 -2.260 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.288 -4.037 -2.027 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.553 -3.620 -1.088 1.00 0.00 C ATOM 0 H LEU D 15 5.985 -4.373 -5.847 1.00 0.00 H new ATOM 0 HA LEU D 15 3.554 -3.529 -4.846 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.294 -4.826 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.318 -3.405 -3.580 1.00 0.00 H new ATOM 0 HG LEU D 15 4.415 -2.240 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.853 -3.707 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.601 -3.811 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.464 -5.112 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU D 15 5.081 -3.318 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU D 15 5.760 -4.690 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU D 15 6.487 -3.073 -1.216 1.00 0.00 H new ATOM 746 N ILE D 16 5.707 -1.069 -5.267 1.00 0.00 N ATOM 747 CA ILE D 16 5.918 0.362 -5.358 1.00 0.00 C ATOM 748 C ILE D 16 4.905 0.982 -6.321 1.00 0.00 C ATOM 749 O ILE D 16 4.315 2.012 -5.994 1.00 0.00 O ATOM 750 CB ILE D 16 7.363 0.625 -5.844 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.415 0.318 -4.758 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.544 2.081 -6.291 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.786 -0.004 -5.376 1.00 0.00 C ATOM 0 H ILE D 16 6.522 -1.604 -5.568 1.00 0.00 H new ATOM 0 HA ILE D 16 5.778 0.820 -4.379 1.00 0.00 H new ATOM 0 HB ILE D 16 7.519 -0.048 -6.687 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.508 1.173 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.080 -0.525 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.570 2.234 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE D 16 6.858 2.298 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.333 2.747 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.502 -0.215 -4.582 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.697 -0.875 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.132 0.850 -5.959 1.00 0.00 H new ATOM 765 N ARG D 17 4.821 0.475 -7.557 1.00 0.00 N ATOM 766 CA ARG D 17 3.906 1.029 -8.548 1.00 0.00 C ATOM 767 C ARG D 17 2.473 0.907 -8.066 1.00 0.00 C ATOM 768 O ARG D 17 1.804 1.923 -7.871 1.00 0.00 O ATOM 769 CB ARG D 17 4.114 0.365 -9.923 1.00 0.00 C ATOM 770 CG ARG D 17 3.640 1.300 -11.043 1.00 0.00 C ATOM 771 CD ARG D 17 4.680 2.401 -11.281 1.00 0.00 C ATOM 772 NE ARG D 17 4.142 3.505 -12.088 1.00 0.00 N ATOM 773 CZ ARG D 17 4.810 4.217 -12.998 1.00 0.00 C ATOM 774 NH1 ARG D 17 5.963 3.768 -13.472 1.00 0.00 N ATOM 775 NH2 ARG D 17 4.326 5.384 -13.394 1.00 0.00 N ATOM 0 H ARG D 17 5.375 -0.315 -7.889 1.00 0.00 H new ATOM 0 HA ARG D 17 4.123 2.090 -8.673 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.168 0.124 -10.063 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.564 -0.575 -9.967 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.483 0.732 -11.960 1.00 0.00 H new ATOM 0 HG3 ARG D 17 2.682 1.745 -10.775 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.024 2.788 -10.322 1.00 0.00 H new ATOM 0 HD3 ARG D 17 5.549 1.976 -11.783 1.00 0.00 H new ATOM 0 HE ARG D 17 3.163 3.751 -11.938 1.00 0.00 H new ATOM 0 HH11 ARG D 17 6.339 2.879 -13.141 1.00 0.00 H new ATOM 0 HH12 ARG D 17 6.475 4.311 -14.168 1.00 0.00 H new ATOM 0 HH21 ARG D 17 3.450 5.732 -13.004 1.00 0.00 H new ATOM 0 HH22 ARG D 17 4.829 5.935 -14.089 1.00 0.00 H new ATOM 789 N PHE D 18 2.089 -0.313 -7.700 1.00 0.00 N ATOM 790 CA PHE D 18 0.761 -0.615 -7.211 1.00 0.00 C ATOM 791 C PHE D 18 0.434 0.213 -5.956 1.00 0.00 C ATOM 792 O PHE D 18 -0.725 0.559 -5.774 1.00 0.00 O ATOM 793 CB PHE D 18 0.606 -2.146 -7.095 1.00 0.00 C ATOM 794 CG PHE D 18 -0.179 -2.650 -5.910 1.00 0.00 C ATOM 795 CD1 PHE D 18 -1.542 -2.336 -5.765 1.00 0.00 C ATOM 796 CD2 PHE D 18 0.475 -3.413 -4.928 1.00 0.00 C ATOM 797 CE1 PHE D 18 -2.214 -2.698 -4.588 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.197 -3.777 -3.756 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.524 -3.372 -3.570 1.00 0.00 C ATOM 0 H PHE D 18 2.705 -1.125 -7.738 1.00 0.00 H new ATOM 0 HA PHE D 18 -0.010 -0.302 -7.916 1.00 0.00 H new ATOM 0 HB2 PHE D 18 0.127 -2.511 -8.003 1.00 0.00 H new ATOM 0 HB3 PHE D 18 1.601 -2.589 -7.060 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -2.068 -1.820 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE D 18 1.500 -3.719 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -3.260 -2.458 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE D 18 0.304 -4.365 -3.001 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.021 -3.580 -2.634 1.00 0.00 H new ATOM 809 N TYR D 19 1.405 0.645 -5.137 1.00 0.00 N ATOM 810 CA TYR D 19 1.131 1.463 -3.949 1.00 0.00 C ATOM 811 C TYR D 19 0.540 2.814 -4.363 1.00 0.00 C ATOM 812 O TYR D 19 -0.361 3.342 -3.705 1.00 0.00 O ATOM 813 CB TYR D 19 2.416 1.717 -3.142 1.00 0.00 C ATOM 814 CG TYR D 19 2.187 2.561 -1.903 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.757 1.941 -0.720 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.368 3.958 -1.937 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.490 2.709 0.426 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.050 4.738 -0.807 1.00 0.00 C ATOM 819 CZ TYR D 19 1.590 4.115 0.376 1.00 0.00 C ATOM 820 OH TYR D 19 1.197 4.859 1.446 1.00 0.00 O ATOM 0 H TYR D 19 2.394 0.439 -5.279 1.00 0.00 H new ATOM 0 HA TYR D 19 0.421 0.916 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.847 0.760 -2.847 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.147 2.213 -3.781 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.631 0.869 -0.690 1.00 0.00 H new ATOM 0 HD2 TYR D 19 2.751 4.431 -2.829 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.208 2.221 1.347 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.158 5.812 -0.845 1.00 0.00 H new ATOM 0 HH TYR D 19 0.963 4.265 2.189 1.00 0.00 H new ATOM 830 N ASN D 20 1.129 3.418 -5.396 1.00 0.00 N ATOM 831 CA ASN D 20 0.717 4.709 -5.930 1.00 0.00 C ATOM 832 C ASN D 20 -0.691 4.594 -6.509 1.00 0.00 C ATOM 833 O ASN D 20 -1.498 5.501 -6.331 1.00 0.00 O ATOM 834 CB ASN D 20 1.727 5.162 -6.998 1.00 0.00 C ATOM 835 CG ASN D 20 1.928 6.673 -7.039 1.00 0.00 C ATOM 836 OD1 ASN D 20 1.097 7.419 -7.559 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.064 7.158 -6.564 1.00 0.00 N ATOM 0 H ASN D 20 1.922 3.012 -5.892 1.00 0.00 H new ATOM 0 HA ASN D 20 0.698 5.457 -5.137 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.686 4.680 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.388 4.821 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.258 8.157 -6.627 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.746 6.532 -6.135 1.00 0.00 H new ATOM 844 N ASP D 21 -1.009 3.470 -7.155 1.00 0.00 N ATOM 845 CA ASP D 21 -2.322 3.218 -7.753 1.00 0.00 C ATOM 846 C ASP D 21 -3.364 2.923 -6.671 1.00 0.00 C ATOM 847 O ASP D 21 -4.456 3.485 -6.685 1.00 0.00 O ATOM 848 CB ASP D 21 -2.259 2.037 -8.733 1.00 0.00 C ATOM 849 CG ASP D 21 -1.351 2.295 -9.933 1.00 0.00 C ATOM 850 OD1 ASP D 21 -1.495 3.356 -10.589 1.00 0.00 O ATOM 851 OD2 ASP D 21 -0.502 1.429 -10.225 1.00 0.00 O ATOM 0 H ASP D 21 -0.353 2.699 -7.279 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.614 4.117 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.906 1.152 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -3.265 1.815 -9.089 1.00 0.00 H new ATOM 856 N LEU D 22 -2.994 2.148 -5.647 1.00 0.00 N ATOM 857 CA LEU D 22 -3.832 1.739 -4.522 1.00 0.00 C ATOM 858 C LEU D 22 -4.461 2.928 -3.797 1.00 0.00 C ATOM 859 O LEU D 22 -5.532 2.759 -3.216 1.00 0.00 O ATOM 860 CB LEU D 22 -3.001 0.846 -3.582 1.00 0.00 C ATOM 861 CG LEU D 22 -3.679 0.395 -2.272 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.977 -0.392 -2.479 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.735 -0.520 -1.492 1.00 0.00 C ATOM 0 H LEU D 22 -2.049 1.770 -5.580 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.676 1.163 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.704 -0.045 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -2.087 1.381 -3.325 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.915 1.316 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -5.391 -0.672 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -5.696 0.227 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -4.769 -1.291 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -3.217 -0.837 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -2.496 -1.396 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.818 0.019 -1.257 1.00 0.00 H new ATOM 875 N GLN D 23 -3.889 4.133 -3.890 1.00 0.00 N ATOM 876 CA GLN D 23 -4.445 5.316 -3.244 1.00 0.00 C ATOM 877 C GLN D 23 -5.899 5.537 -3.702 1.00 0.00 C ATOM 878 O GLN D 23 -6.786 5.717 -2.861 1.00 0.00 O ATOM 879 CB GLN D 23 -3.513 6.531 -3.445 1.00 0.00 C ATOM 880 CG GLN D 23 -3.550 7.240 -4.806 1.00 0.00 C ATOM 881 CD GLN D 23 -4.518 8.416 -4.826 1.00 0.00 C ATOM 882 OE1 GLN D 23 -5.660 8.288 -5.248 1.00 0.00 O ATOM 883 NE2 GLN D 23 -4.098 9.587 -4.384 1.00 0.00 N ATOM 0 H GLN D 23 -3.032 4.310 -4.414 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.496 5.169 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.751 7.267 -2.677 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.489 6.202 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -2.549 7.593 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -3.837 6.525 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -3.145 9.688 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -4.726 10.391 -4.393 1.00 0.00 H new ATOM 892 N GLN D 24 -6.196 5.378 -5.002 1.00 0.00 N ATOM 893 CA GLN D 24 -7.558 5.576 -5.487 1.00 0.00 C ATOM 894 C GLN D 24 -8.422 4.349 -5.186 1.00 0.00 C ATOM 895 O GLN D 24 -9.644 4.471 -5.168 1.00 0.00 O ATOM 896 CB GLN D 24 -7.612 6.038 -6.954 1.00 0.00 C ATOM 897 CG GLN D 24 -7.252 4.982 -8.000 1.00 0.00 C ATOM 898 CD GLN D 24 -7.167 5.586 -9.397 1.00 0.00 C ATOM 899 OE1 GLN D 24 -6.083 5.911 -9.874 1.00 0.00 O ATOM 900 NE2 GLN D 24 -8.274 5.736 -10.107 1.00 0.00 N ATOM 0 H GLN D 24 -5.520 5.117 -5.720 1.00 0.00 H new ATOM 0 HA GLN D 24 -7.994 6.408 -4.933 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -8.618 6.401 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -6.936 6.885 -7.073 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -6.297 4.523 -7.742 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -8.000 4.189 -7.990 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.174 5.466 -9.711 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -8.227 6.121 -11.050 1.00 0.00 H new ATOM 909 N TYR D 25 -7.852 3.151 -5.014 1.00 0.00 N ATOM 910 CA TYR D 25 -8.665 1.981 -4.687 1.00 0.00 C ATOM 911 C TYR D 25 -9.086 2.094 -3.210 1.00 0.00 C ATOM 912 O TYR D 25 -10.225 1.761 -2.869 1.00 0.00 O ATOM 913 CB TYR D 25 -7.953 0.663 -5.038 1.00 0.00 C ATOM 914 CG TYR D 25 -8.663 -0.601 -4.562 1.00 0.00 C ATOM 915 CD1 TYR D 25 -10.071 -0.687 -4.571 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.918 -1.688 -4.062 1.00 0.00 C ATOM 917 CE1 TYR D 25 -10.725 -1.797 -4.012 1.00 0.00 C ATOM 918 CE2 TYR D 25 -8.564 -2.804 -3.498 1.00 0.00 C ATOM 919 CZ TYR D 25 -9.975 -2.848 -3.446 1.00 0.00 C ATOM 920 OH TYR D 25 -10.627 -3.882 -2.859 1.00 0.00 O ATOM 0 H TYR D 25 -6.851 2.970 -5.094 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.566 1.960 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.834 0.609 -6.120 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.952 0.683 -4.608 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.652 0.109 -5.012 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.839 -1.664 -4.112 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -11.804 -1.846 -4.016 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.982 -3.625 -3.106 1.00 0.00 H new ATOM 0 HH TYR D 25 -9.974 -4.528 -2.517 1.00 0.00 H new ATOM 930 N LEU D 26 -8.221 2.624 -2.333 1.00 0.00 N ATOM 931 CA LEU D 26 -8.526 2.813 -0.911 1.00 0.00 C ATOM 932 C LEU D 26 -9.654 3.837 -0.781 1.00 0.00 C ATOM 933 O LEU D 26 -10.552 3.684 0.055 1.00 0.00 O ATOM 934 CB LEU D 26 -7.283 3.228 -0.115 1.00 0.00 C ATOM 935 CG LEU D 26 -6.405 2.004 0.202 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.024 2.452 0.657 1.00 0.00 C ATOM 937 CD2 LEU D 26 -6.982 1.117 1.316 1.00 0.00 C ATOM 0 H LEU D 26 -7.285 2.935 -2.594 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.854 1.865 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.707 3.957 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.585 3.715 0.812 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.362 1.426 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -4.412 1.577 0.878 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.552 3.035 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.117 3.066 1.553 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -6.315 0.272 1.491 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.077 1.700 2.232 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -7.963 0.749 1.017 1.00 0.00 H new ATOM 949 N ASN D 27 -9.664 4.821 -1.688 1.00 0.00 N ATOM 950 CA ASN D 27 -10.677 5.861 -1.745 1.00 0.00 C ATOM 951 C ASN D 27 -12.048 5.213 -1.960 1.00 0.00 C ATOM 952 O ASN D 27 -12.997 5.634 -1.314 1.00 0.00 O ATOM 953 CB ASN D 27 -10.399 6.845 -2.893 1.00 0.00 C ATOM 954 CG ASN D 27 -9.666 8.105 -2.472 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.285 9.156 -2.355 1.00 0.00 O ATOM 956 ND2 ASN D 27 -8.351 8.068 -2.382 1.00 0.00 N ATOM 0 H ASN D 27 -8.952 4.911 -2.413 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.658 6.414 -0.806 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.813 6.336 -3.658 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.347 7.126 -3.352 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -7.827 8.926 -2.211 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -7.858 7.181 -2.483 1.00 0.00 H new ATOM 963 N VAL D 28 -12.162 4.167 -2.790 1.00 0.00 N ATOM 964 CA VAL D 28 -13.430 3.488 -3.067 1.00 0.00 C ATOM 965 C VAL D 28 -13.899 2.651 -1.878 1.00 0.00 C ATOM 966 O VAL D 28 -14.944 2.950 -1.298 1.00 0.00 O ATOM 967 CB VAL D 28 -13.335 2.588 -4.324 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.677 1.919 -4.663 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.911 3.360 -5.568 1.00 0.00 C ATOM 0 H VAL D 28 -11.369 3.767 -3.291 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.162 4.274 -3.251 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.584 1.841 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.560 1.298 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.996 1.298 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.428 2.686 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.861 2.680 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.638 4.146 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.931 3.807 -5.402 1.00 0.00 H new ATOM 979 N VAL D 29 -13.137 1.618 -1.501 1.00 0.00 N ATOM 980 CA VAL D 29 -13.456 0.675 -0.424 1.00 0.00 C ATOM 981 C VAL D 29 -13.954 1.309 0.870 1.00 0.00 C ATOM 982 O VAL D 29 -14.788 0.719 1.556 1.00 0.00 O ATOM 983 CB VAL D 29 -12.273 -0.280 -0.203 1.00 0.00 C ATOM 984 CG1 VAL D 29 -11.059 0.429 0.374 1.00 0.00 C ATOM 985 CG2 VAL D 29 -12.618 -1.462 0.703 1.00 0.00 C ATOM 0 H VAL D 29 -12.248 1.408 -1.955 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.320 0.103 -0.762 1.00 0.00 H new ATOM 0 HB VAL D 29 -12.037 -0.658 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -10.250 -0.288 0.512 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -10.736 1.213 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -11.319 0.872 1.336 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.741 -2.099 0.820 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.931 -1.093 1.680 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -13.428 -2.038 0.256 1.00 0.00 H new ATOM 995 N THR D 30 -13.475 2.507 1.189 1.00 0.00 N ATOM 996 CA THR D 30 -13.879 3.201 2.405 1.00 0.00 C ATOM 997 C THR D 30 -14.372 4.624 2.164 1.00 0.00 C ATOM 998 O THR D 30 -14.478 5.380 3.123 1.00 0.00 O ATOM 999 CB THR D 30 -12.777 3.082 3.469 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.505 3.409 2.942 1.00 0.00 O ATOM 1001 CG2 THR D 30 -12.728 1.673 4.067 1.00 0.00 C ATOM 0 H THR D 30 -12.803 3.019 0.618 1.00 0.00 H new ATOM 0 HA THR D 30 -14.763 2.701 2.800 1.00 0.00 H new ATOM 0 HB THR D 30 -13.026 3.795 4.255 1.00 0.00 H new ATOM 0 HG1 THR D 30 -10.811 3.173 3.592 1.00 0.00 H new ATOM 0 HG21 THR D 30 -11.938 1.623 4.816 1.00 0.00 H new ATOM 0 HG22 THR D 30 -13.686 1.442 4.534 1.00 0.00 H new ATOM 0 HG23 THR D 30 -12.526 0.949 3.277 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.672 5.032 0.923 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.160 6.384 0.601 1.00 0.00 C ATOM 1011 C ARG D 31 -14.262 7.481 1.213 1.00 0.00 C ATOM 1012 O ARG D 31 -14.743 8.547 1.600 1.00 0.00 O ATOM 1013 CB ARG D 31 -16.657 6.422 0.966 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.417 7.693 0.563 1.00 0.00 C ATOM 1015 CD ARG D 31 -17.907 8.451 1.799 1.00 0.00 C ATOM 1016 NE ARG D 31 -18.463 9.755 1.429 1.00 0.00 N ATOM 1017 CZ ARG D 31 -19.683 10.234 1.675 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.618 9.506 2.274 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -19.934 11.484 1.321 1.00 0.00 N ATOM 0 H ARG D 31 -14.583 4.429 0.106 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.087 6.612 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.146 5.567 0.499 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -16.751 6.293 2.044 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -16.768 8.337 -0.030 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -18.266 7.429 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -18.665 7.862 2.315 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -17.081 8.589 2.497 1.00 0.00 H new ATOM 0 HE ARG D 31 -17.836 10.376 0.917 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.413 8.549 2.561 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -21.541 9.904 2.447 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -19.206 12.044 0.877 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -20.855 11.887 1.492 1.00 0.00 H new ATOM 1033 N HIS D 32 -12.951 7.220 1.315 1.00 0.00 N ATOM 1034 CA HIS D 32 -11.932 8.112 1.884 1.00 0.00 C ATOM 1035 C HIS D 32 -12.230 8.448 3.364 1.00 0.00 C ATOM 1036 O HIS D 32 -11.756 9.445 3.898 1.00 0.00 O ATOM 1037 CB HIS D 32 -11.743 9.333 0.961 1.00 0.00 C ATOM 1038 CG HIS D 32 -10.469 10.137 1.100 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -9.725 10.367 2.239 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -9.981 10.971 0.131 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -8.806 11.303 1.958 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -8.948 11.730 0.692 1.00 0.00 N ATOM 0 H HIS D 32 -12.554 6.339 0.987 1.00 0.00 H new ATOM 0 HA HIS D 32 -10.968 7.605 1.921 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -11.808 8.986 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -12.583 10.008 1.123 1.00 0.00 H new ATOM 0 HD1 HIS D 32 -9.852 9.905 3.139 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -10.332 11.033 -0.889 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -8.059 11.662 2.650 1.00 0.00 H new ATOM 1050 N ARG D 33 -13.005 7.617 4.068 1.00 0.00 N ATOM 1051 CA ARG D 33 -13.362 7.811 5.476 1.00 0.00 C ATOM 1052 C ARG D 33 -12.239 7.407 6.439 1.00 0.00 C ATOM 1053 O ARG D 33 -12.473 7.396 7.650 1.00 0.00 O ATOM 1054 CB ARG D 33 -14.632 6.999 5.791 1.00 0.00 C ATOM 1055 CG ARG D 33 -15.881 7.410 4.998 1.00 0.00 C ATOM 1056 CD ARG D 33 -16.398 8.790 5.410 1.00 0.00 C ATOM 1057 NE ARG D 33 -17.864 8.843 5.289 1.00 0.00 N ATOM 1058 CZ ARG D 33 -18.706 9.262 6.237 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -18.268 9.952 7.286 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -19.987 8.962 6.120 1.00 0.00 N ATOM 0 H ARG D 33 -13.410 6.772 3.665 1.00 0.00 H new ATOM 0 HA ARG D 33 -13.537 8.877 5.624 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -14.428 5.946 5.598 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -14.849 7.092 6.855 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -15.648 7.414 3.933 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.666 6.669 5.150 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.103 9.005 6.437 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -15.946 9.558 4.782 1.00 0.00 H new ATOM 0 HE ARG D 33 -18.271 8.534 4.406 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -17.275 10.169 7.375 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -18.925 10.265 8.001 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -20.313 8.422 5.319 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -20.650 9.271 6.831 1.00 0.00 H new ATOM 1074 N TYR D 34 -11.118 6.879 5.942 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.002 6.472 6.784 1.00 0.00 C ATOM 1076 C TYR D 34 -9.400 7.690 7.487 1.00 0.00 C ATOM 1077 O TYR D 34 -9.725 8.837 7.195 1.00 0.00 O ATOM 1078 CB TYR D 34 -8.963 5.701 5.953 1.00 0.00 C ATOM 1079 CG TYR D 34 -8.567 6.319 4.621 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -7.722 7.444 4.558 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -9.042 5.743 3.429 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -7.383 8.005 3.312 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.714 6.297 2.182 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.883 7.437 2.117 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.592 7.979 0.905 1.00 0.00 O ATOM 0 H TYR D 34 -10.963 6.724 4.946 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.359 5.795 7.561 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -8.063 5.584 6.556 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -9.352 4.701 5.763 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -7.333 7.877 5.468 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.667 4.863 3.474 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -6.740 8.871 3.269 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -9.096 5.853 1.275 1.00 0.00 H new ATOM 0 HH TYR D 34 -8.023 7.453 0.199 1.00 0.00 H new