USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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: A 18 ASN : amide:sc= -1.75! K(o=-6.2!,f=-4.8) USER MOD Set 1.2: A 87 GLN : amide:sc= -3.16! C(o=-6.2!,f=-10!) USER MOD Set 1.3: A 89 GLN : amide:sc= -1.29 K(o=-6.2,f=-18!) USER MOD Set 2.1: A 80 MET CE :methyl -117:sc= -2.14 (180deg=-1.37) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.28 K(o=-4.4,f=-1.7) USER MOD Set 3.1: A 26 GLN : amide:sc= 0.309 K(o=1.2,f=0.68) USER MOD Set 3.2: A 48 SER OG : rot -169:sc= 0.904! USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 22 LYS NZ :NH3+ -120:sc= 1.04 (180deg=-1.16!) USER MOD Single : A 23 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.94) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.93! C(o=-3.9!,f=-1.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 149:sc= -0.252 (180deg=-1.46) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.429 (180deg=-0.618) USER MOD Single : A 52 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.3!) USER MOD Single : A 53 THR OG1 : rot 45:sc= 0.0448 USER MOD Single : A 55 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.56) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 165:sc= -0.24 USER MOD Single : A 63 ASN : amide:sc= -1.05 K(o=-1,f=-2.1!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.584 K(o=0.58,f=-0.008) USER MOD Single : A 74 TYR OH : rot 180:sc= -3.19! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.8!) USER MOD Single : A 90 MET CE :methyl 144:sc= -1.77 (180deg=-2.55!) USER MOD Single : A 91 GLN : amide:sc= -0.0012 X(o=-0.0012,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 154 N GLN A 14 -2.184 -9.970 8.936 1.00 0.00 N ATOM 155 CA GLN A 14 -0.856 -9.443 8.673 1.00 0.00 C ATOM 156 C GLN A 14 -0.547 -9.507 7.175 1.00 0.00 C ATOM 157 O GLN A 14 -0.244 -10.575 6.646 1.00 0.00 O ATOM 158 CB GLN A 14 0.202 -10.193 9.484 1.00 0.00 C ATOM 159 CG GLN A 14 -0.050 -11.702 9.453 1.00 0.00 C ATOM 160 CD GLN A 14 1.102 -12.464 10.109 1.00 0.00 C ATOM 161 OE1 GLN A 14 2.063 -12.859 9.470 1.00 0.00 O ATOM 162 NE2 GLN A 14 0.952 -12.649 11.418 1.00 0.00 N ATOM 0 HA GLN A 14 -0.832 -8.399 8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.192 -9.978 9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.192 -9.840 10.515 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.982 -11.929 9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.169 -12.033 8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.122 -12.292 11.892 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.667 -13.148 11.948 1.00 0.00 H new ATOM 171 N VAL A 15 -0.634 -8.350 6.536 1.00 0.00 N ATOM 172 CA VAL A 15 -0.367 -8.261 5.110 1.00 0.00 C ATOM 173 C VAL A 15 1.056 -7.742 4.893 1.00 0.00 C ATOM 174 O VAL A 15 1.559 -6.950 5.688 1.00 0.00 O ATOM 175 CB VAL A 15 -1.430 -7.394 4.432 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.906 -6.814 3.116 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.721 -8.184 4.208 1.00 0.00 C ATOM 0 H VAL A 15 -0.886 -7.466 6.979 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.427 -9.246 4.648 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.658 -6.562 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.681 -6.202 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.028 -6.200 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.636 -7.627 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.460 -7.544 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.515 -9.045 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.109 -8.526 5.167 1.00 0.00 H new ATOM 187 N THR A 16 1.664 -8.210 3.813 1.00 0.00 N ATOM 188 CA THR A 16 3.019 -7.803 3.482 1.00 0.00 C ATOM 189 C THR A 16 3.003 -6.759 2.363 1.00 0.00 C ATOM 190 O THR A 16 2.871 -7.104 1.189 1.00 0.00 O ATOM 191 CB THR A 16 3.817 -9.060 3.129 1.00 0.00 C ATOM 192 OG1 THR A 16 3.682 -9.890 4.279 1.00 0.00 O ATOM 193 CG2 THR A 16 5.321 -8.792 3.038 1.00 0.00 C ATOM 0 H THR A 16 1.243 -8.867 3.156 1.00 0.00 H new ATOM 0 HA THR A 16 3.505 -7.319 4.329 1.00 0.00 H new ATOM 0 HB THR A 16 3.462 -9.462 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.168 -10.729 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.841 -9.716 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.512 -8.046 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.683 -8.423 3.997 1.00 0.00 H new ATOM 201 N LEU A 17 3.140 -5.505 2.766 1.00 0.00 N ATOM 202 CA LEU A 17 3.144 -4.408 1.812 1.00 0.00 C ATOM 203 C LEU A 17 4.557 -4.231 1.251 1.00 0.00 C ATOM 204 O LEU A 17 5.412 -3.625 1.895 1.00 0.00 O ATOM 205 CB LEU A 17 2.572 -3.141 2.450 1.00 0.00 C ATOM 206 CG LEU A 17 1.103 -3.209 2.874 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.672 -1.912 3.563 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.204 -3.553 1.686 1.00 0.00 C ATOM 0 H LEU A 17 3.249 -5.223 3.740 1.00 0.00 H new ATOM 0 HA LEU A 17 2.492 -4.634 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.172 -2.897 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.688 -2.318 1.745 1.00 0.00 H new ATOM 0 HG LEU A 17 0.994 -4.013 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.376 -1.986 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.285 -1.750 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.799 -1.075 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.834 -3.595 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.310 -2.789 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.495 -4.521 1.278 1.00 0.00 H new ATOM 220 N ASN A 18 4.757 -4.769 0.058 1.00 0.00 N ATOM 221 CA ASN A 18 6.051 -4.678 -0.597 1.00 0.00 C ATOM 222 C ASN A 18 6.126 -3.371 -1.389 1.00 0.00 C ATOM 223 O ASN A 18 5.551 -3.263 -2.471 1.00 0.00 O ATOM 224 CB ASN A 18 6.257 -5.836 -1.575 1.00 0.00 C ATOM 225 CG ASN A 18 6.030 -7.183 -0.886 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.654 -7.514 0.108 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.103 -7.939 -1.468 1.00 0.00 N ATOM 0 H ASN A 18 4.045 -5.270 -0.473 1.00 0.00 H new ATOM 0 HA ASN A 18 6.822 -4.716 0.173 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.571 -5.733 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.267 -5.797 -1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.878 -8.856 -1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.617 -7.601 -2.299 1.00 0.00 H new ATOM 234 N VAL A 19 6.839 -2.410 -0.819 1.00 0.00 N ATOM 235 CA VAL A 19 6.996 -1.115 -1.458 1.00 0.00 C ATOM 236 C VAL A 19 8.344 -1.068 -2.180 1.00 0.00 C ATOM 237 O VAL A 19 9.385 -1.325 -1.577 1.00 0.00 O ATOM 238 CB VAL A 19 6.832 0.002 -0.425 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.080 1.373 -1.056 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.452 -0.058 0.233 1.00 0.00 C ATOM 0 H VAL A 19 7.314 -2.503 0.079 1.00 0.00 H new ATOM 0 HA VAL A 19 6.220 -0.962 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 19 7.580 -0.149 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.957 2.149 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.094 1.412 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.366 1.536 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.362 0.747 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.681 0.055 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.329 -1.018 0.734 1.00 0.00 H new ATOM 250 N THR A 20 8.282 -0.738 -3.462 1.00 0.00 N ATOM 251 CA THR A 20 9.484 -0.654 -4.273 1.00 0.00 C ATOM 252 C THR A 20 9.698 0.780 -4.762 1.00 0.00 C ATOM 253 O THR A 20 9.106 1.194 -5.758 1.00 0.00 O ATOM 254 CB THR A 20 9.361 -1.672 -5.408 1.00 0.00 C ATOM 255 OG1 THR A 20 9.727 -2.910 -4.805 1.00 0.00 O ATOM 256 CG2 THR A 20 10.414 -1.463 -6.498 1.00 0.00 C ATOM 0 H THR A 20 7.417 -0.526 -3.959 1.00 0.00 H new ATOM 0 HA THR A 20 10.372 -0.901 -3.691 1.00 0.00 H new ATOM 0 HB THR A 20 8.366 -1.607 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.673 -3.627 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.282 -2.211 -7.279 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.301 -0.467 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.410 -1.561 -6.066 1.00 0.00 H new ATOM 264 N PHE A 21 10.547 1.497 -4.041 1.00 0.00 N ATOM 265 CA PHE A 21 10.846 2.876 -4.389 1.00 0.00 C ATOM 266 C PHE A 21 12.069 2.956 -5.306 1.00 0.00 C ATOM 267 O PHE A 21 13.203 2.844 -4.844 1.00 0.00 O ATOM 268 CB PHE A 21 11.153 3.611 -3.083 1.00 0.00 C ATOM 269 CG PHE A 21 11.463 5.098 -3.264 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.856 5.804 -4.256 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.346 5.715 -2.434 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.144 7.184 -4.424 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.634 7.095 -2.602 1.00 0.00 C ATOM 274 CZ PHE A 21 12.027 7.800 -3.594 1.00 0.00 C ATOM 0 H PHE A 21 11.038 1.149 -3.217 1.00 0.00 H new ATOM 0 HA PHE A 21 10.001 3.319 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.301 3.507 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.002 3.130 -2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.155 5.315 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.828 5.155 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.662 7.744 -5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.335 7.585 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.247 8.850 -3.722 1.00 0.00 H new ATOM 284 N LYS A 22 11.796 3.151 -6.588 1.00 0.00 N ATOM 285 CA LYS A 22 12.859 3.248 -7.573 1.00 0.00 C ATOM 286 C LYS A 22 13.612 1.917 -7.637 1.00 0.00 C ATOM 287 O LYS A 22 13.246 1.029 -8.406 1.00 0.00 O ATOM 288 CB LYS A 22 13.758 4.449 -7.274 1.00 0.00 C ATOM 289 CG LYS A 22 12.972 5.758 -7.362 1.00 0.00 C ATOM 290 CD LYS A 22 13.821 6.941 -6.893 1.00 0.00 C ATOM 291 CE LYS A 22 14.264 6.757 -5.441 1.00 0.00 C ATOM 292 NZ LYS A 22 14.614 8.061 -4.836 1.00 0.00 N ATOM 0 H LYS A 22 10.854 3.244 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 22 12.444 3.428 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.189 4.346 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.588 4.471 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.648 5.923 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.072 5.687 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.697 7.041 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.249 7.864 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.465 6.286 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.123 6.088 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.608 8.046 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.480 8.817 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.001 8.238 -4.015 1.00 0.00 H new ATOM 306 N ASN A 23 14.650 1.821 -6.819 1.00 0.00 N ATOM 307 CA ASN A 23 15.457 0.614 -6.774 1.00 0.00 C ATOM 308 C ASN A 23 15.467 0.066 -5.345 1.00 0.00 C ATOM 309 O ASN A 23 16.092 -0.959 -5.074 1.00 0.00 O ATOM 310 CB ASN A 23 16.904 0.903 -7.179 1.00 0.00 C ATOM 311 CG ASN A 23 17.797 -0.315 -6.933 1.00 0.00 C ATOM 312 OD1 ASN A 23 17.863 -1.239 -7.727 1.00 0.00 O ATOM 313 ND2 ASN A 23 18.476 -0.265 -5.791 1.00 0.00 N ATOM 0 H ASN A 23 14.950 2.559 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 23 15.025 -0.106 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.942 1.179 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.281 1.755 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.099 -1.031 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.374 0.539 -5.172 1.00 0.00 H new ATOM 320 N GLU A 24 14.769 0.773 -4.469 1.00 0.00 N ATOM 321 CA GLU A 24 14.689 0.370 -3.076 1.00 0.00 C ATOM 322 C GLU A 24 13.425 -0.457 -2.833 1.00 0.00 C ATOM 323 O GLU A 24 12.336 -0.072 -3.257 1.00 0.00 O ATOM 324 CB GLU A 24 14.733 1.587 -2.150 1.00 0.00 C ATOM 325 CG GLU A 24 16.165 2.104 -1.991 1.00 0.00 C ATOM 326 CD GLU A 24 16.389 3.365 -2.829 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.742 4.384 -2.505 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.202 3.281 -3.774 1.00 0.00 O ATOM 0 H GLU A 24 14.253 1.623 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 24 15.555 -0.251 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.100 2.378 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.328 1.320 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.363 2.321 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.870 1.331 -2.295 1.00 0.00 H new ATOM 335 N ILE A 25 13.612 -1.578 -2.153 1.00 0.00 N ATOM 336 CA ILE A 25 12.500 -2.463 -1.849 1.00 0.00 C ATOM 337 C ILE A 25 12.300 -2.522 -0.333 1.00 0.00 C ATOM 338 O ILE A 25 13.255 -2.727 0.415 1.00 0.00 O ATOM 339 CB ILE A 25 12.714 -3.834 -2.495 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.722 -3.726 -4.021 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.677 -4.843 -1.997 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.567 -4.838 -4.645 1.00 0.00 C ATOM 0 H ILE A 25 14.517 -1.894 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 25 11.576 -2.075 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 25 13.694 -4.204 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.701 -3.785 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.116 -2.754 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.852 -5.809 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.763 -4.949 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.677 -4.491 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.556 -4.738 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.593 -4.762 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.155 -5.808 -4.366 1.00 0.00 H new ATOM 354 N GLN A 26 11.053 -2.340 0.075 1.00 0.00 N ATOM 355 CA GLN A 26 10.716 -2.370 1.488 1.00 0.00 C ATOM 356 C GLN A 26 9.466 -3.222 1.717 1.00 0.00 C ATOM 357 O GLN A 26 8.728 -3.515 0.777 1.00 0.00 O ATOM 358 CB GLN A 26 10.522 -0.955 2.035 1.00 0.00 C ATOM 359 CG GLN A 26 11.807 -0.438 2.686 1.00 0.00 C ATOM 360 CD GLN A 26 11.544 0.039 4.116 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.644 -0.707 5.075 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.204 1.322 4.203 1.00 0.00 N ATOM 0 H GLN A 26 10.263 -2.171 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 26 11.546 -2.823 2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.225 -0.286 1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.713 -0.951 2.765 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.558 -1.228 2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.214 0.382 2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.139 1.891 3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.009 1.737 5.114 1.00 0.00 H new ATOM 371 N SER A 27 9.266 -3.597 2.972 1.00 0.00 N ATOM 372 CA SER A 27 8.118 -4.409 3.337 1.00 0.00 C ATOM 373 C SER A 27 7.545 -3.936 4.674 1.00 0.00 C ATOM 374 O SER A 27 8.285 -3.746 5.638 1.00 0.00 O ATOM 375 CB SER A 27 8.494 -5.890 3.416 1.00 0.00 C ATOM 376 OG SER A 27 7.661 -6.605 4.324 1.00 0.00 O ATOM 0 H SER A 27 9.880 -3.353 3.749 1.00 0.00 H new ATOM 0 HA SER A 27 7.359 -4.294 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.417 -6.337 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.534 -5.984 3.728 1.00 0.00 H new ATOM 0 HG SER A 27 7.932 -7.547 4.345 1.00 0.00 H new ATOM 382 N PHE A 28 6.232 -3.758 4.689 1.00 0.00 N ATOM 383 CA PHE A 28 5.552 -3.310 5.892 1.00 0.00 C ATOM 384 C PHE A 28 4.419 -4.267 6.270 1.00 0.00 C ATOM 385 O PHE A 28 3.422 -4.368 5.556 1.00 0.00 O ATOM 386 CB PHE A 28 4.959 -1.934 5.585 1.00 0.00 C ATOM 387 CG PHE A 28 6.002 -0.871 5.235 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.624 -0.177 6.226 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.308 -0.620 3.934 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.593 0.810 5.901 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.276 0.367 3.610 1.00 0.00 C ATOM 392 CZ PHE A 28 7.898 1.061 4.600 1.00 0.00 C ATOM 0 H PHE A 28 5.621 -3.916 3.887 1.00 0.00 H new ATOM 0 HA PHE A 28 6.255 -3.274 6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.259 -2.028 4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.386 -1.596 6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.381 -0.376 7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.815 -1.171 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.087 1.361 6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.518 0.567 2.577 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.634 1.812 4.353 1.00 0.00 H new ATOM 402 N LEU A 29 4.610 -4.946 7.392 1.00 0.00 N ATOM 403 CA LEU A 29 3.618 -5.891 7.873 1.00 0.00 C ATOM 404 C LEU A 29 2.490 -5.128 8.572 1.00 0.00 C ATOM 405 O LEU A 29 2.746 -4.253 9.398 1.00 0.00 O ATOM 406 CB LEU A 29 4.275 -6.958 8.752 1.00 0.00 C ATOM 407 CG LEU A 29 3.378 -8.122 9.177 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.223 -9.137 8.043 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.896 -8.772 10.462 1.00 0.00 C ATOM 0 H LEU A 29 5.438 -4.860 7.982 1.00 0.00 H new ATOM 0 HA LEU A 29 3.170 -6.430 7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.133 -7.364 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.659 -6.474 9.650 1.00 0.00 H new ATOM 0 HG LEU A 29 2.385 -7.727 9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.581 -9.954 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.776 -8.649 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.202 -9.532 7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.241 -9.597 10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.905 -9.150 10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.912 -8.033 11.263 1.00 0.00 H new ATOM 421 N VAL A 30 1.266 -5.488 8.215 1.00 0.00 N ATOM 422 CA VAL A 30 0.098 -4.849 8.798 1.00 0.00 C ATOM 423 C VAL A 30 -0.791 -5.912 9.444 1.00 0.00 C ATOM 424 O VAL A 30 -1.677 -6.464 8.794 1.00 0.00 O ATOM 425 CB VAL A 30 -0.631 -4.024 7.735 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.580 -3.013 8.382 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.362 -3.326 6.805 1.00 0.00 C ATOM 0 H VAL A 30 1.058 -6.214 7.529 1.00 0.00 H new ATOM 0 HA VAL A 30 0.395 -4.154 9.583 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.229 -4.708 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.086 -2.440 7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.320 -3.542 8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.011 -2.337 9.020 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.183 -2.747 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.999 -2.660 7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.979 -4.073 6.305 1.00 0.00 H new ATOM 437 N SER A 31 -0.524 -6.168 10.716 1.00 0.00 N ATOM 438 CA SER A 31 -1.289 -7.156 11.458 1.00 0.00 C ATOM 439 C SER A 31 -2.766 -6.759 11.488 1.00 0.00 C ATOM 440 O SER A 31 -3.625 -7.574 11.821 1.00 0.00 O ATOM 441 CB SER A 31 -0.753 -7.312 12.882 1.00 0.00 C ATOM 442 OG SER A 31 -1.407 -6.438 13.798 1.00 0.00 O ATOM 0 H SER A 31 0.212 -5.708 11.252 1.00 0.00 H new ATOM 0 HA SER A 31 -1.187 -8.117 10.953 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.885 -8.344 13.208 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.318 -7.110 12.890 1.00 0.00 H new ATOM 0 HG SER A 31 -1.038 -6.569 14.696 1.00 0.00 H new ATOM 448 N ASP A 32 -3.017 -5.507 11.135 1.00 0.00 N ATOM 449 CA ASP A 32 -4.376 -4.992 11.117 1.00 0.00 C ATOM 450 C ASP A 32 -4.546 -4.057 9.918 1.00 0.00 C ATOM 451 O ASP A 32 -4.556 -2.837 10.073 1.00 0.00 O ATOM 452 CB ASP A 32 -4.679 -4.193 12.386 1.00 0.00 C ATOM 453 CG ASP A 32 -3.852 -2.917 12.560 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.620 -3.057 12.714 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.472 -1.832 12.534 1.00 0.00 O ATOM 0 H ASP A 32 -2.302 -4.834 10.859 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.058 -5.840 11.054 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.736 -3.926 12.385 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.513 -4.836 13.250 1.00 0.00 H new ATOM 460 N PRO A 33 -4.681 -4.681 8.717 1.00 0.00 N ATOM 461 CA PRO A 33 -4.850 -3.919 7.492 1.00 0.00 C ATOM 462 C PRO A 33 -6.267 -3.349 7.393 1.00 0.00 C ATOM 463 O PRO A 33 -6.585 -2.629 6.447 1.00 0.00 O ATOM 464 CB PRO A 33 -4.523 -4.894 6.373 1.00 0.00 C ATOM 465 CG PRO A 33 -4.635 -6.282 6.983 1.00 0.00 C ATOM 466 CD PRO A 33 -4.674 -6.124 8.494 1.00 0.00 C ATOM 0 HA PRO A 33 -4.197 -3.047 7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.215 -4.777 5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.520 -4.719 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.535 -6.784 6.628 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.788 -6.900 6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.561 -6.594 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.809 -6.593 8.963 1.00 0.00 H new ATOM 474 N GLU A 34 -7.079 -3.692 8.381 1.00 0.00 N ATOM 475 CA GLU A 34 -8.454 -3.224 8.417 1.00 0.00 C ATOM 476 C GLU A 34 -8.580 -2.020 9.354 1.00 0.00 C ATOM 477 O GLU A 34 -9.127 -0.987 8.971 1.00 0.00 O ATOM 478 CB GLU A 34 -9.405 -4.347 8.837 1.00 0.00 C ATOM 479 CG GLU A 34 -9.553 -5.385 7.722 1.00 0.00 C ATOM 480 CD GLU A 34 -11.010 -5.829 7.577 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.733 -5.161 6.807 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.367 -6.827 8.240 1.00 0.00 O ATOM 0 H GLU A 34 -6.811 -4.289 9.164 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.737 -2.910 7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.029 -4.829 9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.381 -3.929 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.202 -4.965 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.925 -6.249 7.939 1.00 0.00 H new ATOM 489 N ASN A 35 -8.066 -2.194 10.562 1.00 0.00 N ATOM 490 CA ASN A 35 -8.114 -1.135 11.556 1.00 0.00 C ATOM 491 C ASN A 35 -7.296 0.059 11.062 1.00 0.00 C ATOM 492 O ASN A 35 -7.780 1.190 11.061 1.00 0.00 O ATOM 493 CB ASN A 35 -7.517 -1.600 12.886 1.00 0.00 C ATOM 494 CG ASN A 35 -7.135 -0.406 13.762 1.00 0.00 C ATOM 495 OD1 ASN A 35 -7.826 -0.046 14.702 1.00 0.00 O ATOM 496 ND2 ASN A 35 -6.000 0.187 13.404 1.00 0.00 N ATOM 0 H ASN A 35 -7.614 -3.053 10.876 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.158 -0.861 11.706 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.237 -2.227 13.413 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.637 -2.215 12.699 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.659 0.994 13.927 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.470 -0.165 12.607 1.00 0.00 H new ATOM 503 N THR A 36 -6.070 -0.232 10.653 1.00 0.00 N ATOM 504 CA THR A 36 -5.180 0.804 10.158 1.00 0.00 C ATOM 505 C THR A 36 -5.814 1.528 8.969 1.00 0.00 C ATOM 506 O THR A 36 -6.786 1.045 8.390 1.00 0.00 O ATOM 507 CB THR A 36 -3.835 0.153 9.826 1.00 0.00 C ATOM 508 OG1 THR A 36 -2.890 1.207 9.991 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.717 -0.226 8.349 1.00 0.00 C ATOM 0 H THR A 36 -5.672 -1.171 10.654 1.00 0.00 H new ATOM 0 HA THR A 36 -5.009 1.572 10.912 1.00 0.00 H new ATOM 0 HB THR A 36 -3.701 -0.737 10.441 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.990 0.872 9.797 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.745 -0.684 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.505 -0.934 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.817 0.669 7.735 1.00 0.00 H new ATOM 517 N THR A 37 -5.238 2.675 8.641 1.00 0.00 N ATOM 518 CA THR A 37 -5.736 3.471 7.531 1.00 0.00 C ATOM 519 C THR A 37 -4.658 3.619 6.456 1.00 0.00 C ATOM 520 O THR A 37 -3.466 3.543 6.751 1.00 0.00 O ATOM 521 CB THR A 37 -6.223 4.810 8.090 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.058 5.386 8.676 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.185 4.637 9.267 1.00 0.00 C ATOM 0 H THR A 37 -4.432 3.072 9.124 1.00 0.00 H new ATOM 0 HA THR A 37 -6.577 2.982 7.040 1.00 0.00 H new ATOM 0 HB THR A 37 -6.715 5.377 7.299 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.283 6.258 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.500 5.617 9.626 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.058 4.071 8.943 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.683 4.100 10.072 1.00 0.00 H new ATOM 531 N TRP A 38 -5.115 3.826 5.229 1.00 0.00 N ATOM 532 CA TRP A 38 -4.205 3.985 4.108 1.00 0.00 C ATOM 533 C TRP A 38 -3.267 5.153 4.422 1.00 0.00 C ATOM 534 O TRP A 38 -2.082 5.107 4.095 1.00 0.00 O ATOM 535 CB TRP A 38 -4.974 4.171 2.799 1.00 0.00 C ATOM 536 CG TRP A 38 -4.118 4.688 1.641 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.276 5.818 0.939 1.00 0.00 C ATOM 538 CD2 TRP A 38 -2.956 4.044 1.077 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.305 5.949 -0.033 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.477 4.836 0.054 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.330 2.832 1.420 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.352 4.503 -0.710 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.207 2.514 0.647 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.712 3.301 -0.386 1.00 0.00 C ATOM 0 H TRP A 38 -6.104 3.887 4.987 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.606 3.085 3.968 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.417 3.218 2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.796 4.867 2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.064 6.536 1.112 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.212 6.721 -0.694 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.688 2.197 2.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.997 5.140 -1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.689 1.593 0.869 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.163 2.987 -0.936 1.00 0.00 H new ATOM 555 N ALA A 39 -3.834 6.172 5.051 1.00 0.00 N ATOM 556 CA ALA A 39 -3.063 7.350 5.412 1.00 0.00 C ATOM 557 C ALA A 39 -1.880 6.931 6.288 1.00 0.00 C ATOM 558 O ALA A 39 -0.804 7.522 6.207 1.00 0.00 O ATOM 559 CB ALA A 39 -3.975 8.362 6.109 1.00 0.00 C ATOM 0 H ALA A 39 -4.817 6.206 5.320 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.659 7.833 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.398 9.246 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.782 8.649 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.396 7.913 7.009 1.00 0.00 H new ATOM 565 N ASP A 40 -2.119 5.916 7.104 1.00 0.00 N ATOM 566 CA ASP A 40 -1.087 5.412 7.994 1.00 0.00 C ATOM 567 C ASP A 40 -0.012 4.700 7.170 1.00 0.00 C ATOM 568 O ASP A 40 1.169 4.750 7.509 1.00 0.00 O ATOM 569 CB ASP A 40 -1.663 4.404 8.990 1.00 0.00 C ATOM 570 CG ASP A 40 -1.688 4.875 10.446 1.00 0.00 C ATOM 571 OD1 ASP A 40 -2.572 5.702 10.759 1.00 0.00 O ATOM 572 OD2 ASP A 40 -0.824 4.398 11.212 1.00 0.00 O ATOM 0 H ASP A 40 -3.013 5.428 7.168 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.669 6.259 8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.680 4.157 8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.080 3.485 8.931 1.00 0.00 H new ATOM 577 N ILE A 41 -0.460 4.055 6.103 1.00 0.00 N ATOM 578 CA ILE A 41 0.448 3.334 5.228 1.00 0.00 C ATOM 579 C ILE A 41 1.187 4.332 4.334 1.00 0.00 C ATOM 580 O ILE A 41 2.405 4.253 4.183 1.00 0.00 O ATOM 581 CB ILE A 41 -0.302 2.251 4.450 1.00 0.00 C ATOM 582 CG1 ILE A 41 -0.690 1.088 5.366 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.509 1.782 3.241 1.00 0.00 C ATOM 584 CD1 ILE A 41 -2.044 1.342 6.031 1.00 0.00 C ATOM 0 H ILE A 41 -1.441 4.017 5.825 1.00 0.00 H new ATOM 0 HA ILE A 41 1.202 2.808 5.813 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.227 2.684 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.732 0.164 4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.075 0.952 6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.047 1.012 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.692 2.626 2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.461 1.373 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.296 0.501 6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.992 2.253 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.811 1.453 5.264 1.00 0.00 H new ATOM 596 N GLU A 42 0.419 5.249 3.764 1.00 0.00 N ATOM 597 CA GLU A 42 0.985 6.261 2.889 1.00 0.00 C ATOM 598 C GLU A 42 2.091 7.031 3.613 1.00 0.00 C ATOM 599 O GLU A 42 3.215 7.119 3.122 1.00 0.00 O ATOM 600 CB GLU A 42 -0.099 7.212 2.377 1.00 0.00 C ATOM 601 CG GLU A 42 0.171 7.621 0.927 1.00 0.00 C ATOM 602 CD GLU A 42 -1.049 8.316 0.318 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.658 9.132 1.043 1.00 0.00 O ATOM 604 OE2 GLU A 42 -1.344 8.015 -0.859 1.00 0.00 O ATOM 0 H GLU A 42 -0.591 5.312 3.891 1.00 0.00 H new ATOM 0 HA GLU A 42 1.423 5.762 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.074 6.729 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.137 8.100 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.032 8.289 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.424 6.740 0.338 1.00 0.00 H new ATOM 611 N ALA A 43 1.734 7.568 4.771 1.00 0.00 N ATOM 612 CA ALA A 43 2.683 8.326 5.568 1.00 0.00 C ATOM 613 C ALA A 43 3.795 7.394 6.054 1.00 0.00 C ATOM 614 O ALA A 43 4.954 7.797 6.139 1.00 0.00 O ATOM 615 CB ALA A 43 1.948 9.009 6.724 1.00 0.00 C ATOM 0 H ALA A 43 0.801 7.493 5.176 1.00 0.00 H new ATOM 0 HA ALA A 43 3.148 9.109 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.660 9.578 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.189 9.682 6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.471 8.254 7.349 1.00 0.00 H new ATOM 621 N MET A 44 3.403 6.167 6.360 1.00 0.00 N ATOM 622 CA MET A 44 4.352 5.174 6.835 1.00 0.00 C ATOM 623 C MET A 44 5.489 4.978 5.830 1.00 0.00 C ATOM 624 O MET A 44 6.661 5.002 6.201 1.00 0.00 O ATOM 625 CB MET A 44 3.631 3.843 7.056 1.00 0.00 C ATOM 626 CG MET A 44 4.622 2.678 7.066 1.00 0.00 C ATOM 627 SD MET A 44 4.056 1.403 8.180 1.00 0.00 S ATOM 628 CE MET A 44 2.757 0.681 7.191 1.00 0.00 C ATOM 0 H MET A 44 2.441 5.837 6.288 1.00 0.00 H new ATOM 0 HA MET A 44 4.779 5.526 7.774 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.088 3.872 8.001 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.893 3.690 6.269 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.729 2.272 6.060 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.607 3.030 7.374 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.670 -0.380 7.423 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.813 1.179 7.411 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.994 0.803 6.134 1.00 0.00 H new ATOM 638 N VAL A 45 5.102 4.789 4.577 1.00 0.00 N ATOM 639 CA VAL A 45 6.075 4.589 3.516 1.00 0.00 C ATOM 640 C VAL A 45 6.913 5.858 3.352 1.00 0.00 C ATOM 641 O VAL A 45 8.133 5.787 3.211 1.00 0.00 O ATOM 642 CB VAL A 45 5.365 4.171 2.227 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.355 4.060 1.066 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.599 2.861 2.422 1.00 0.00 C ATOM 0 H VAL A 45 4.129 4.770 4.273 1.00 0.00 H new ATOM 0 HA VAL A 45 6.758 3.779 3.772 1.00 0.00 H new ATOM 0 HB VAL A 45 4.642 4.947 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.824 3.761 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.834 5.025 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.113 3.314 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.104 2.587 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.294 2.072 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.852 2.989 3.206 1.00 0.00 H new ATOM 654 N LYS A 46 6.225 6.991 3.377 1.00 0.00 N ATOM 655 CA LYS A 46 6.891 8.274 3.233 1.00 0.00 C ATOM 656 C LYS A 46 8.050 8.357 4.229 1.00 0.00 C ATOM 657 O LYS A 46 9.215 8.313 3.836 1.00 0.00 O ATOM 658 CB LYS A 46 5.884 9.418 3.365 1.00 0.00 C ATOM 659 CG LYS A 46 5.106 9.617 2.062 1.00 0.00 C ATOM 660 CD LYS A 46 4.135 10.793 2.178 1.00 0.00 C ATOM 661 CE LYS A 46 2.778 10.333 2.716 1.00 0.00 C ATOM 662 NZ LYS A 46 1.717 10.561 1.710 1.00 0.00 N ATOM 0 H LYS A 46 5.213 7.046 3.495 1.00 0.00 H new ATOM 0 HA LYS A 46 7.320 8.371 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.190 9.204 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.406 10.339 3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.802 9.795 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.555 8.708 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.554 11.551 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.004 11.259 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.822 9.275 2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.541 10.874 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.850 10.065 2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.524 11.580 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.030 10.198 0.787 1.00 0.00 H new ATOM 676 N VAL A 47 7.689 8.476 5.498 1.00 0.00 N ATOM 677 CA VAL A 47 8.684 8.566 6.553 1.00 0.00 C ATOM 678 C VAL A 47 9.763 7.506 6.322 1.00 0.00 C ATOM 679 O VAL A 47 10.954 7.791 6.440 1.00 0.00 O ATOM 680 CB VAL A 47 8.009 8.444 7.921 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.913 9.498 8.087 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.452 7.035 8.134 1.00 0.00 C ATOM 0 H VAL A 47 6.722 8.512 5.819 1.00 0.00 H new ATOM 0 HA VAL A 47 9.175 9.539 6.533 1.00 0.00 H new ATOM 0 HB VAL A 47 8.765 8.624 8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.449 9.389 9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.349 10.493 8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.159 9.364 7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.978 6.975 9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.716 6.814 7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.265 6.310 8.080 1.00 0.00 H new ATOM 692 N SER A 48 9.308 6.305 5.998 1.00 0.00 N ATOM 693 CA SER A 48 10.219 5.201 5.750 1.00 0.00 C ATOM 694 C SER A 48 11.282 5.619 4.732 1.00 0.00 C ATOM 695 O SER A 48 12.438 5.210 4.833 1.00 0.00 O ATOM 696 CB SER A 48 9.465 3.965 5.253 1.00 0.00 C ATOM 697 OG SER A 48 9.596 2.864 6.148 1.00 0.00 O ATOM 0 H SER A 48 8.320 6.072 5.901 1.00 0.00 H new ATOM 0 HA SER A 48 10.706 4.942 6.690 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.410 4.209 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.843 3.681 4.271 1.00 0.00 H new ATOM 0 HG SER A 48 9.258 2.051 5.718 1.00 0.00 H new ATOM 703 N PHE A 49 10.853 6.428 3.774 1.00 0.00 N ATOM 704 CA PHE A 49 11.754 6.906 2.739 1.00 0.00 C ATOM 705 C PHE A 49 11.949 8.420 2.838 1.00 0.00 C ATOM 706 O PHE A 49 12.393 9.056 1.883 1.00 0.00 O ATOM 707 CB PHE A 49 11.106 6.573 1.394 1.00 0.00 C ATOM 708 CG PHE A 49 11.070 5.078 1.073 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.218 4.424 0.748 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.891 4.402 1.112 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.185 3.036 0.451 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.858 3.014 0.815 1.00 0.00 C ATOM 713 CZ PHE A 49 11.005 2.360 0.490 1.00 0.00 C ATOM 0 H PHE A 49 9.893 6.764 3.693 1.00 0.00 H new ATOM 0 HA PHE A 49 12.730 6.434 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.087 6.960 1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.648 7.091 0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.155 4.961 0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.979 4.921 1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.097 2.517 0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.921 2.477 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.979 1.304 0.263 1.00 0.00 H new ATOM 723 N ASP A 50 11.607 8.954 4.001 1.00 0.00 N ATOM 724 CA ASP A 50 11.738 10.382 4.237 1.00 0.00 C ATOM 725 C ASP A 50 11.236 11.145 3.010 1.00 0.00 C ATOM 726 O ASP A 50 12.021 11.772 2.300 1.00 0.00 O ATOM 727 CB ASP A 50 13.200 10.769 4.469 1.00 0.00 C ATOM 728 CG ASP A 50 13.409 12.112 5.172 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.992 12.210 6.346 1.00 0.00 O ATOM 730 OD2 ASP A 50 13.981 13.011 4.518 1.00 0.00 O ATOM 0 H ASP A 50 11.239 8.423 4.791 1.00 0.00 H new ATOM 0 HA ASP A 50 11.153 10.633 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.678 9.988 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.710 10.797 3.506 1.00 0.00 H new ATOM 735 N LEU A 51 9.930 11.067 2.798 1.00 0.00 N ATOM 736 CA LEU A 51 9.314 11.743 1.669 1.00 0.00 C ATOM 737 C LEU A 51 8.140 12.590 2.165 1.00 0.00 C ATOM 738 O LEU A 51 7.442 12.201 3.100 1.00 0.00 O ATOM 739 CB LEU A 51 8.929 10.734 0.585 1.00 0.00 C ATOM 740 CG LEU A 51 10.008 9.719 0.200 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.442 8.644 -0.730 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.226 10.418 -0.406 1.00 0.00 C ATOM 0 H LEU A 51 9.282 10.546 3.389 1.00 0.00 H new ATOM 0 HA LEU A 51 10.024 12.425 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.048 10.188 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.640 11.285 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 51 10.344 9.216 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.229 7.935 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.631 8.118 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.062 9.112 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.978 9.675 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.925 10.964 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.645 11.114 0.320 1.00 0.00 H new ATOM 754 N ASN A 52 7.960 13.731 1.517 1.00 0.00 N ATOM 755 CA ASN A 52 6.883 14.636 1.881 1.00 0.00 C ATOM 756 C ASN A 52 5.561 14.095 1.333 1.00 0.00 C ATOM 757 O ASN A 52 4.609 13.893 2.085 1.00 0.00 O ATOM 758 CB ASN A 52 7.108 16.028 1.287 1.00 0.00 C ATOM 759 CG ASN A 52 7.289 17.072 2.390 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.708 16.778 3.497 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.949 18.306 2.027 1.00 0.00 N ATOM 0 H ASN A 52 8.542 14.050 0.742 1.00 0.00 H new ATOM 0 HA ASN A 52 6.857 14.709 2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.989 16.015 0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.260 16.301 0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.033 19.075 2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.605 18.483 1.083 1.00 0.00 H new ATOM 768 N THR A 53 5.544 13.877 0.026 1.00 0.00 N ATOM 769 CA THR A 53 4.355 13.364 -0.632 1.00 0.00 C ATOM 770 C THR A 53 4.734 12.301 -1.665 1.00 0.00 C ATOM 771 O THR A 53 5.604 12.527 -2.504 1.00 0.00 O ATOM 772 CB THR A 53 3.597 14.550 -1.231 1.00 0.00 C ATOM 773 OG1 THR A 53 4.611 15.326 -1.864 1.00 0.00 O ATOM 774 CG2 THR A 53 3.028 15.482 -0.160 1.00 0.00 C ATOM 0 H THR A 53 6.335 14.047 -0.595 1.00 0.00 H new ATOM 0 HA THR A 53 3.696 12.863 0.077 1.00 0.00 H new ATOM 0 HB THR A 53 2.786 14.182 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.206 14.735 -2.372 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.500 16.307 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.336 14.928 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.842 15.877 0.448 1.00 0.00 H new ATOM 782 N ILE A 54 4.061 11.163 -1.570 1.00 0.00 N ATOM 783 CA ILE A 54 4.316 10.064 -2.486 1.00 0.00 C ATOM 784 C ILE A 54 2.988 9.567 -3.061 1.00 0.00 C ATOM 785 O ILE A 54 1.920 9.922 -2.564 1.00 0.00 O ATOM 786 CB ILE A 54 5.135 8.972 -1.797 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.270 8.169 -0.823 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.370 9.561 -1.113 1.00 0.00 C ATOM 789 CD1 ILE A 54 5.068 7.025 -0.195 1.00 0.00 C ATOM 0 H ILE A 54 3.340 10.979 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 54 4.922 10.401 -3.327 1.00 0.00 H new ATOM 0 HB ILE A 54 5.489 8.279 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.892 8.826 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.403 7.767 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.934 8.763 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.998 10.052 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.059 10.289 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.429 6.471 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.424 6.356 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.920 7.432 0.349 1.00 0.00 H new ATOM 801 N GLN A 55 3.098 8.753 -4.101 1.00 0.00 N ATOM 802 CA GLN A 55 1.920 8.203 -4.749 1.00 0.00 C ATOM 803 C GLN A 55 2.094 6.701 -4.983 1.00 0.00 C ATOM 804 O GLN A 55 2.223 6.258 -6.123 1.00 0.00 O ATOM 805 CB GLN A 55 1.626 8.932 -6.062 1.00 0.00 C ATOM 806 CG GLN A 55 0.134 8.878 -6.397 1.00 0.00 C ATOM 807 CD GLN A 55 -0.702 9.497 -5.276 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.660 10.690 -5.020 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.463 8.623 -4.623 1.00 0.00 N ATOM 0 H GLN A 55 3.985 8.461 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 55 1.065 8.351 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.948 9.971 -5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.200 8.479 -6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.052 9.409 -7.330 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.170 7.843 -6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.451 7.638 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.059 8.938 -3.857 1.00 0.00 H new ATOM 818 N ILE A 56 2.093 5.960 -3.885 1.00 0.00 N ATOM 819 CA ILE A 56 2.250 4.517 -3.955 1.00 0.00 C ATOM 820 C ILE A 56 1.364 3.967 -5.075 1.00 0.00 C ATOM 821 O ILE A 56 0.398 4.611 -5.481 1.00 0.00 O ATOM 822 CB ILE A 56 1.981 3.882 -2.590 1.00 0.00 C ATOM 823 CG1 ILE A 56 3.015 4.340 -1.559 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.916 2.357 -2.698 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.418 4.346 -0.150 1.00 0.00 C ATOM 0 H ILE A 56 1.986 6.332 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 56 3.279 4.257 -4.204 1.00 0.00 H new ATOM 0 HB ILE A 56 1.006 4.222 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.881 3.679 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.369 5.339 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.724 1.930 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.113 2.074 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.865 1.978 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.173 4.675 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.567 5.027 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.088 3.340 0.109 1.00 0.00 H new ATOM 837 N LYS A 57 1.725 2.781 -5.543 1.00 0.00 N ATOM 838 CA LYS A 57 0.976 2.137 -6.608 1.00 0.00 C ATOM 839 C LYS A 57 1.148 0.620 -6.501 1.00 0.00 C ATOM 840 O LYS A 57 2.266 0.112 -6.581 1.00 0.00 O ATOM 841 CB LYS A 57 1.379 2.708 -7.968 1.00 0.00 C ATOM 842 CG LYS A 57 0.731 4.074 -8.204 1.00 0.00 C ATOM 843 CD LYS A 57 0.545 4.342 -9.698 1.00 0.00 C ATOM 844 CE LYS A 57 0.729 5.827 -10.016 1.00 0.00 C ATOM 845 NZ LYS A 57 1.750 6.009 -11.072 1.00 0.00 N ATOM 0 H LYS A 57 2.527 2.249 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.089 2.345 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.464 2.802 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.081 2.019 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.235 4.114 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.351 4.855 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.263 3.753 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.449 4.021 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.219 6.255 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.029 6.363 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.862 7.023 -11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.658 5.618 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.448 5.514 -11.935 1.00 0.00 H new ATOM 859 N TYR A 58 0.026 -0.060 -6.323 1.00 0.00 N ATOM 860 CA TYR A 58 0.039 -1.508 -6.205 1.00 0.00 C ATOM 861 C TYR A 58 -0.530 -2.166 -7.464 1.00 0.00 C ATOM 862 O TYR A 58 -1.477 -1.656 -8.061 1.00 0.00 O ATOM 863 CB TYR A 58 -0.864 -1.843 -5.016 1.00 0.00 C ATOM 864 CG TYR A 58 -2.350 -1.938 -5.371 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.849 -3.087 -5.949 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.190 -0.875 -5.112 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.247 -3.177 -6.283 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.588 -0.964 -5.445 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.048 -2.111 -6.014 1.00 0.00 C ATOM 870 OH TYR A 58 -6.368 -2.195 -6.329 1.00 0.00 O ATOM 0 H TYR A 58 -0.899 0.365 -6.258 1.00 0.00 H new ATOM 0 HA TYR A 58 1.057 -1.873 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.543 -2.791 -4.584 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.732 -1.082 -4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.191 -3.919 -6.151 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.799 0.024 -4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.650 -4.070 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.256 -0.139 -5.248 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.859 -1.479 -5.875 1.00 0.00 H new ATOM 880 N LEU A 59 0.071 -3.289 -7.830 1.00 0.00 N ATOM 881 CA LEU A 59 -0.364 -4.021 -9.007 1.00 0.00 C ATOM 882 C LEU A 59 -1.611 -4.839 -8.661 1.00 0.00 C ATOM 883 O LEU A 59 -1.632 -5.551 -7.658 1.00 0.00 O ATOM 884 CB LEU A 59 0.784 -4.860 -9.571 1.00 0.00 C ATOM 885 CG LEU A 59 1.745 -4.133 -10.514 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.699 -5.119 -11.191 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.978 -3.286 -11.532 1.00 0.00 C ATOM 0 H LEU A 59 0.856 -3.710 -7.332 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.645 -3.331 -9.803 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.359 -5.261 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.359 -5.711 -10.103 1.00 0.00 H new ATOM 0 HG LEU A 59 2.355 -3.451 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.371 -4.577 -11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.282 -5.641 -10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.124 -5.843 -11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.684 -2.780 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.327 -3.930 -12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.375 -2.544 -11.008 1.00 0.00 H new ATOM 899 N ASP A 60 -2.619 -4.710 -9.511 1.00 0.00 N ATOM 900 CA ASP A 60 -3.865 -5.428 -9.308 1.00 0.00 C ATOM 901 C ASP A 60 -3.763 -6.811 -9.954 1.00 0.00 C ATOM 902 O ASP A 60 -2.704 -7.191 -10.451 1.00 0.00 O ATOM 903 CB ASP A 60 -5.038 -4.689 -9.956 1.00 0.00 C ATOM 904 CG ASP A 60 -4.714 -3.998 -11.282 1.00 0.00 C ATOM 905 OD1 ASP A 60 -4.103 -4.672 -12.139 1.00 0.00 O ATOM 906 OD2 ASP A 60 -5.085 -2.811 -11.409 1.00 0.00 O ATOM 0 H ASP A 60 -2.598 -4.119 -10.342 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.037 -5.508 -8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.848 -5.399 -10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.409 -3.941 -9.255 1.00 0.00 H new ATOM 911 N GLU A 61 -4.878 -7.526 -9.926 1.00 0.00 N ATOM 912 CA GLU A 61 -4.928 -8.859 -10.502 1.00 0.00 C ATOM 913 C GLU A 61 -4.637 -8.799 -12.003 1.00 0.00 C ATOM 914 O GLU A 61 -4.422 -9.830 -12.639 1.00 0.00 O ATOM 915 CB GLU A 61 -6.279 -9.523 -10.232 1.00 0.00 C ATOM 916 CG GLU A 61 -6.390 -9.966 -8.771 1.00 0.00 C ATOM 917 CD GLU A 61 -6.741 -11.452 -8.674 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.877 -11.794 -9.067 1.00 0.00 O ATOM 919 OE2 GLU A 61 -5.865 -12.212 -8.208 1.00 0.00 O ATOM 0 H GLU A 61 -5.754 -7.207 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.160 -9.468 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.084 -8.827 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.402 -10.385 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.447 -9.777 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.153 -9.375 -8.265 1.00 0.00 H new ATOM 926 N GLU A 62 -4.639 -7.582 -12.526 1.00 0.00 N ATOM 927 CA GLU A 62 -4.378 -7.374 -13.940 1.00 0.00 C ATOM 928 C GLU A 62 -2.933 -6.918 -14.152 1.00 0.00 C ATOM 929 O GLU A 62 -2.515 -6.670 -15.282 1.00 0.00 O ATOM 930 CB GLU A 62 -5.364 -6.368 -14.538 1.00 0.00 C ATOM 931 CG GLU A 62 -6.800 -6.699 -14.129 1.00 0.00 C ATOM 932 CD GLU A 62 -7.631 -7.125 -15.341 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.747 -6.296 -16.269 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.132 -8.270 -15.312 1.00 0.00 O ATOM 0 H GLU A 62 -4.817 -6.729 -11.996 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.519 -8.322 -14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.110 -5.362 -14.204 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.281 -6.374 -15.625 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.796 -7.498 -13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.257 -5.829 -13.658 1.00 0.00 H new ATOM 941 N ASN A 63 -2.209 -6.819 -13.046 1.00 0.00 N ATOM 942 CA ASN A 63 -0.820 -6.397 -13.096 1.00 0.00 C ATOM 943 C ASN A 63 -0.755 -4.915 -13.473 1.00 0.00 C ATOM 944 O ASN A 63 0.241 -4.456 -14.029 1.00 0.00 O ATOM 945 CB ASN A 63 -0.041 -7.187 -14.150 1.00 0.00 C ATOM 946 CG ASN A 63 1.237 -7.782 -13.556 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.292 -7.169 -13.547 1.00 0.00 O ATOM 948 ND2 ASN A 63 1.085 -9.007 -13.062 1.00 0.00 N ATOM 0 H ASN A 63 -2.559 -7.024 -12.110 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.379 -6.573 -12.115 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.667 -7.986 -14.548 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.212 -6.534 -14.986 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.880 -9.490 -12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.174 -9.463 -13.102 1.00 0.00 H new ATOM 955 N GLU A 64 -1.830 -4.209 -13.156 1.00 0.00 N ATOM 956 CA GLU A 64 -1.908 -2.789 -13.454 1.00 0.00 C ATOM 957 C GLU A 64 -1.696 -1.967 -12.181 1.00 0.00 C ATOM 958 O GLU A 64 -2.355 -2.201 -11.169 1.00 0.00 O ATOM 959 CB GLU A 64 -3.243 -2.440 -14.116 1.00 0.00 C ATOM 960 CG GLU A 64 -3.206 -2.741 -15.616 1.00 0.00 C ATOM 961 CD GLU A 64 -4.555 -2.433 -16.270 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.581 -2.698 -15.607 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.529 -1.939 -17.417 1.00 0.00 O ATOM 0 H GLU A 64 -2.655 -4.594 -12.696 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.115 -2.542 -14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.046 -3.009 -13.647 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.466 -1.385 -13.958 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.424 -2.148 -16.090 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.952 -3.789 -15.774 1.00 0.00 H new ATOM 970 N GLU A 65 -0.773 -1.021 -12.274 1.00 0.00 N ATOM 971 CA GLU A 65 -0.466 -0.162 -11.142 1.00 0.00 C ATOM 972 C GLU A 65 -1.723 0.577 -10.679 1.00 0.00 C ATOM 973 O GLU A 65 -2.388 1.237 -11.476 1.00 0.00 O ATOM 974 CB GLU A 65 0.653 0.823 -11.489 1.00 0.00 C ATOM 975 CG GLU A 65 1.958 0.085 -11.793 1.00 0.00 C ATOM 976 CD GLU A 65 3.049 1.062 -12.237 1.00 0.00 C ATOM 977 OE1 GLU A 65 2.684 2.059 -12.896 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.224 0.789 -11.906 1.00 0.00 O ATOM 0 H GLU A 65 -0.228 -0.830 -13.115 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.114 -0.787 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.361 1.422 -12.351 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.806 1.513 -10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.289 -0.457 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.788 -0.656 -12.574 1.00 0.00 H new ATOM 985 N VAL A 66 -2.011 0.441 -9.393 1.00 0.00 N ATOM 986 CA VAL A 66 -3.176 1.087 -8.815 1.00 0.00 C ATOM 987 C VAL A 66 -2.729 2.029 -7.695 1.00 0.00 C ATOM 988 O VAL A 66 -2.121 1.594 -6.719 1.00 0.00 O ATOM 989 CB VAL A 66 -4.180 0.032 -8.343 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.409 0.689 -7.712 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.582 -0.894 -9.493 1.00 0.00 C ATOM 0 H VAL A 66 -1.457 -0.107 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.688 1.692 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.695 -0.575 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.106 -0.082 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.102 1.287 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.896 1.331 -8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.296 -1.634 -9.132 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.040 -0.307 -10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.697 -1.401 -9.878 1.00 0.00 H new ATOM 1001 N SER A 67 -3.047 3.303 -7.875 1.00 0.00 N ATOM 1002 CA SER A 67 -2.685 4.310 -6.892 1.00 0.00 C ATOM 1003 C SER A 67 -3.780 4.420 -5.828 1.00 0.00 C ATOM 1004 O SER A 67 -4.954 4.587 -6.156 1.00 0.00 O ATOM 1005 CB SER A 67 -2.452 5.669 -7.556 1.00 0.00 C ATOM 1006 OG SER A 67 -3.673 6.365 -7.791 1.00 0.00 O ATOM 0 H SER A 67 -3.551 3.661 -8.687 1.00 0.00 H new ATOM 0 HA SER A 67 -1.754 4.004 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.805 6.276 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.929 5.526 -8.501 1.00 0.00 H new ATOM 0 HG SER A 67 -3.481 7.228 -8.214 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.356 4.322 -4.577 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.285 4.409 -3.463 1.00 0.00 C ATOM 1014 C ILE A 68 -4.264 5.830 -2.896 1.00 0.00 C ATOM 1015 O ILE A 68 -3.196 6.402 -2.685 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.979 3.328 -2.425 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.038 1.933 -3.051 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.906 3.452 -1.214 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.497 0.876 -2.087 1.00 0.00 C ATOM 0 H ILE A 68 -2.381 4.183 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.303 4.216 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.960 3.477 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.067 1.694 -3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.458 1.920 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.667 2.672 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.771 4.429 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.942 3.344 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.550 -0.106 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.460 1.105 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.095 0.875 -1.175 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.457 6.358 -2.666 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.589 7.701 -2.127 1.00 0.00 C ATOM 1033 C ASN A 69 -6.343 7.641 -0.797 1.00 0.00 C ATOM 1034 O ASN A 69 -5.974 8.320 0.160 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.381 8.601 -3.079 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.444 9.478 -3.911 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.146 10.611 -3.569 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.998 8.894 -5.019 1.00 0.00 N ATOM 0 H ASN A 69 -6.341 5.880 -2.843 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.588 8.110 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.993 7.988 -3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.062 9.231 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.367 9.397 -5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.287 7.942 -5.246 1.00 0.00 H new ATOM 1045 N SER A 70 -7.384 6.822 -0.780 1.00 0.00 N ATOM 1046 CA SER A 70 -8.192 6.665 0.417 1.00 0.00 C ATOM 1047 C SER A 70 -8.176 5.204 0.871 1.00 0.00 C ATOM 1048 O SER A 70 -7.524 4.365 0.251 1.00 0.00 O ATOM 1049 CB SER A 70 -9.630 7.129 0.176 1.00 0.00 C ATOM 1050 OG SER A 70 -9.680 8.372 -0.519 1.00 0.00 O ATOM 0 H SER A 70 -7.686 6.260 -1.576 1.00 0.00 H new ATOM 0 HA SER A 70 -7.764 7.288 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.164 6.371 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.144 7.227 1.132 1.00 0.00 H new ATOM 0 HG SER A 70 -10.615 8.633 -0.655 1.00 0.00 H new ATOM 1056 N GLN A 71 -8.900 4.944 1.950 1.00 0.00 N ATOM 1057 CA GLN A 71 -8.976 3.599 2.494 1.00 0.00 C ATOM 1058 C GLN A 71 -9.664 2.662 1.499 1.00 0.00 C ATOM 1059 O GLN A 71 -9.118 1.619 1.145 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.699 3.594 3.843 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.805 2.174 4.402 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.061 2.051 5.733 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.375 2.707 6.712 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.058 1.178 5.714 1.00 0.00 N ATOM 0 H GLN A 71 -9.439 5.642 2.462 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.961 3.237 2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.163 4.228 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.696 4.019 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.854 1.912 4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.393 1.465 3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.848 0.661 4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.499 1.025 6.553 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.852 3.069 1.077 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.621 2.279 0.130 1.00 0.00 C ATOM 1075 C GLY A 72 -10.707 1.637 -0.916 1.00 0.00 C ATOM 1076 O GLY A 72 -10.843 0.453 -1.221 1.00 0.00 O ATOM 0 H GLY A 72 -11.301 3.936 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.173 1.504 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.357 2.913 -0.365 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.798 2.447 -1.438 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.863 1.973 -2.444 1.00 0.00 C ATOM 1082 C GLU A 73 -7.958 0.887 -1.858 1.00 0.00 C ATOM 1083 O GLU A 73 -7.743 -0.151 -2.483 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.035 3.128 -3.011 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.630 3.634 -4.327 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.624 4.504 -5.084 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.192 5.517 -4.492 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.311 4.137 -6.237 1.00 0.00 O ATOM 0 H GLU A 73 -9.689 3.429 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.433 1.540 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.997 3.943 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.009 2.799 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.923 2.787 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.534 4.209 -4.125 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.453 1.162 -0.665 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.576 0.222 0.012 1.00 0.00 C ATOM 1097 C TYR A 74 -7.320 -1.071 0.355 1.00 0.00 C ATOM 1098 O TYR A 74 -6.814 -2.165 0.112 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.144 0.907 1.310 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.124 0.110 2.125 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.129 -0.599 1.482 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.198 0.099 3.503 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.169 -1.350 2.249 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.238 -0.652 4.270 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.271 -1.339 3.605 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.364 -2.048 4.330 1.00 0.00 O ATOM 0 H TYR A 74 -7.634 2.023 -0.149 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.730 -0.040 -0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.720 1.882 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.026 1.085 1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.071 -0.590 0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.976 0.654 4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.386 -1.909 1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.285 -0.669 5.349 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.558 -1.948 5.285 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.509 -0.901 0.915 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.327 -2.041 1.294 1.00 0.00 C ATOM 1118 C GLU A 75 -9.271 -3.118 0.209 1.00 0.00 C ATOM 1119 O GLU A 75 -8.761 -4.213 0.443 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.770 -1.613 1.568 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.879 -0.875 2.904 1.00 0.00 C ATOM 1122 CD GLU A 75 -12.126 -1.316 3.673 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.031 -2.355 4.361 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -13.147 -0.604 3.555 1.00 0.00 O ATOM 0 H GLU A 75 -8.925 0.008 1.115 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.926 -2.461 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.121 -0.968 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.417 -2.490 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.990 -1.068 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.917 0.200 2.728 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.802 -2.771 -0.954 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.819 -3.694 -2.075 1.00 0.00 C ATOM 1133 C GLU A 76 -8.439 -4.329 -2.261 1.00 0.00 C ATOM 1134 O GLU A 76 -8.318 -5.551 -2.335 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.277 -2.994 -3.356 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.735 -2.544 -3.243 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.416 -2.540 -4.613 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -11.872 -1.866 -5.515 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.464 -3.212 -4.729 1.00 0.00 O ATOM 0 H GLU A 76 -10.224 -1.862 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.536 -4.486 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.640 -2.131 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.166 -3.670 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.273 -3.209 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.778 -1.545 -2.809 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.433 -3.470 -2.331 1.00 0.00 N ATOM 1147 CA ALA A 77 -6.066 -3.931 -2.507 1.00 0.00 C ATOM 1148 C ALA A 77 -5.737 -4.962 -1.425 1.00 0.00 C ATOM 1149 O ALA A 77 -5.082 -5.966 -1.699 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.115 -2.733 -2.478 1.00 0.00 C ATOM 0 H ALA A 77 -7.537 -2.457 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.947 -4.418 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.090 -3.079 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.372 -2.045 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.204 -2.221 -1.520 1.00 0.00 H new ATOM 1156 N LEU A 78 -6.207 -4.678 -0.219 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.971 -5.568 0.905 1.00 0.00 C ATOM 1158 C LEU A 78 -6.683 -6.898 0.655 1.00 0.00 C ATOM 1159 O LEU A 78 -6.205 -7.951 1.074 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.373 -4.892 2.217 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.408 -3.830 2.748 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.982 -3.138 3.986 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -4.026 -4.429 3.015 1.00 0.00 C ATOM 0 H LEU A 78 -6.750 -3.844 0.004 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.908 -5.788 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.351 -4.430 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.489 -5.663 2.979 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.284 -3.066 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.277 -2.388 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.925 -2.656 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.154 -3.877 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.360 -3.653 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.111 -5.225 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.621 -4.837 2.089 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.815 -6.808 -0.028 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.598 -7.991 -0.339 1.00 0.00 C ATOM 1177 C LYS A 79 -7.849 -8.836 -1.371 1.00 0.00 C ATOM 1178 O LYS A 79 -7.838 -10.063 -1.284 1.00 0.00 O ATOM 1179 CB LYS A 79 -10.012 -7.599 -0.774 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.829 -7.086 0.414 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.517 -5.762 0.074 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.613 -5.437 1.092 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.582 -4.476 0.520 1.00 0.00 N ATOM 0 H LYS A 79 -8.208 -5.933 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.723 -8.610 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.959 -6.829 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.511 -8.460 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.577 -7.828 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.177 -6.950 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.780 -4.959 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.949 -5.818 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.128 -6.352 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.167 -5.019 1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.319 -4.266 1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.089 -3.597 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.020 -4.888 -0.328 1.00 0.00 H new ATOM 1197 N MET A 80 -7.242 -8.146 -2.325 1.00 0.00 N ATOM 1198 CA MET A 80 -6.493 -8.818 -3.373 1.00 0.00 C ATOM 1199 C MET A 80 -5.204 -9.429 -2.820 1.00 0.00 C ATOM 1200 O MET A 80 -4.860 -10.563 -3.148 1.00 0.00 O ATOM 1201 CB MET A 80 -6.150 -7.816 -4.478 1.00 0.00 C ATOM 1202 CG MET A 80 -5.945 -8.527 -5.818 1.00 0.00 C ATOM 1203 SD MET A 80 -5.004 -7.487 -6.922 1.00 0.00 S ATOM 1204 CE MET A 80 -3.347 -7.948 -6.444 1.00 0.00 C ATOM 0 H MET A 80 -7.254 -7.128 -2.394 1.00 0.00 H new ATOM 0 HA MET A 80 -7.110 -9.621 -3.777 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.951 -7.082 -4.570 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.246 -7.269 -4.210 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.424 -9.472 -5.662 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.910 -8.766 -6.264 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.832 -7.080 -6.032 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.391 -8.735 -5.691 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.804 -8.311 -7.317 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.526 -8.650 -1.989 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.283 -9.100 -1.387 1.00 0.00 C ATOM 1216 C ALA A 81 -3.476 -10.509 -0.823 1.00 0.00 C ATOM 1217 O ALA A 81 -2.606 -11.366 -0.973 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.841 -8.099 -0.318 1.00 0.00 C ATOM 0 H ALA A 81 -4.815 -7.710 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.491 -9.149 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.908 -8.437 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.689 -7.121 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.610 -8.024 0.451 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.620 -10.705 -0.185 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.938 -11.996 0.403 1.00 0.00 C ATOM 1226 C VAL A 82 -4.825 -13.081 -0.669 1.00 0.00 C ATOM 1227 O VAL A 82 -4.260 -14.146 -0.423 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.319 -11.946 1.059 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.715 -13.317 1.610 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.367 -10.880 2.156 1.00 0.00 C ATOM 0 H VAL A 82 -5.339 -9.992 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.227 -12.242 1.191 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.043 -11.671 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.701 -13.253 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.741 -14.042 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.986 -13.634 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.360 -10.865 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.625 -11.111 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.150 -9.903 1.724 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.371 -12.774 -1.837 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.338 -13.711 -2.948 1.00 0.00 C ATOM 1242 C LYS A 83 -3.889 -14.111 -3.229 1.00 0.00 C ATOM 1243 O LYS A 83 -3.578 -15.297 -3.334 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.061 -13.126 -4.163 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.550 -12.925 -3.871 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.378 -13.024 -5.153 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.163 -11.734 -5.399 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.608 -11.953 -5.161 1.00 0.00 N ATOM 0 H LYS A 83 -5.839 -11.890 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.877 -14.623 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.608 -12.173 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.941 -13.792 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.889 -13.675 -3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.705 -11.951 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.721 -13.221 -6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.067 -13.865 -5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.795 -10.947 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.004 -11.394 -6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.126 -11.068 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.958 -12.690 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.756 -12.256 -4.177 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.040 -13.100 -3.342 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.631 -13.332 -3.609 1.00 0.00 C ATOM 1264 C GLN A 84 -1.033 -14.253 -2.543 1.00 0.00 C ATOM 1265 O GLN A 84 -0.576 -15.352 -2.853 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.863 -12.011 -3.686 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.652 -10.962 -4.471 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.764 -10.268 -5.505 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.045 -10.895 -6.265 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.854 -8.941 -5.491 1.00 0.00 N ATOM 0 H GLN A 84 -3.301 -12.118 -3.253 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.541 -13.824 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.664 -11.643 -2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.104 -12.176 -4.162 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.496 -11.436 -4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.063 -10.222 -3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.476 -8.479 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.301 -8.385 -6.143 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.057 -13.770 -1.310 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.523 -14.536 -0.196 1.00 0.00 C ATOM 1281 C GLY A 85 -0.289 -13.641 1.023 1.00 0.00 C ATOM 1282 O GLY A 85 0.733 -13.760 1.696 1.00 0.00 O ATOM 0 H GLY A 85 -1.438 -12.858 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.215 -15.337 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.414 -15.008 -0.491 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.253 -12.767 1.269 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.165 -11.852 2.394 1.00 0.00 C ATOM 1288 C ASN A 86 -0.073 -10.816 2.120 1.00 0.00 C ATOM 1289 O ASN A 86 0.550 -10.304 3.049 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.798 -12.596 3.680 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.611 -13.885 3.819 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.264 -14.928 3.290 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.708 -13.755 4.559 1.00 0.00 N ATOM 0 H ASN A 86 -2.100 -12.673 0.708 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.137 -11.374 2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.266 -12.832 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.980 -11.953 4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.318 -14.558 4.713 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.940 -12.852 4.973 1.00 0.00 H new ATOM 1300 N GLN A 87 0.126 -10.538 0.839 1.00 0.00 N ATOM 1301 CA GLN A 87 1.132 -9.572 0.431 1.00 0.00 C ATOM 1302 C GLN A 87 0.636 -8.766 -0.771 1.00 0.00 C ATOM 1303 O GLN A 87 -0.278 -9.193 -1.475 1.00 0.00 O ATOM 1304 CB GLN A 87 2.460 -10.264 0.117 1.00 0.00 C ATOM 1305 CG GLN A 87 2.348 -11.119 -1.147 1.00 0.00 C ATOM 1306 CD GLN A 87 2.905 -10.376 -2.363 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.082 -9.169 -2.358 1.00 0.00 O ATOM 1308 NE2 GLN A 87 3.171 -11.163 -3.402 1.00 0.00 N ATOM 0 H GLN A 87 -0.392 -10.965 0.071 1.00 0.00 H new ATOM 0 HA GLN A 87 1.305 -8.884 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.242 -9.516 -0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.756 -10.890 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.891 -12.054 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.304 -11.380 -1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.999 -12.166 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.547 -10.763 -4.262 1.00 0.00 H new ATOM 1317 N LEU A 88 1.260 -7.614 -0.969 1.00 0.00 N ATOM 1318 CA LEU A 88 0.893 -6.744 -2.073 1.00 0.00 C ATOM 1319 C LEU A 88 2.144 -6.030 -2.591 1.00 0.00 C ATOM 1320 O LEU A 88 2.966 -5.562 -1.805 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.229 -5.792 -1.655 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.927 -5.039 -2.790 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.608 -6.011 -3.756 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.905 -4.000 -2.238 1.00 0.00 C ATOM 0 H LEU A 88 2.018 -7.263 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 88 0.492 -7.328 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.980 -6.364 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.182 -5.061 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.170 -4.499 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.096 -5.450 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.862 -6.678 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.352 -6.598 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.388 -3.479 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.662 -4.498 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.363 -3.281 -1.623 1.00 0.00 H new ATOM 1336 N GLN A 89 2.248 -5.970 -3.911 1.00 0.00 N ATOM 1337 CA GLN A 89 3.384 -5.321 -4.543 1.00 0.00 C ATOM 1338 C GLN A 89 3.067 -3.851 -4.823 1.00 0.00 C ATOM 1339 O GLN A 89 2.414 -3.531 -5.815 1.00 0.00 O ATOM 1340 CB GLN A 89 3.787 -6.050 -5.826 1.00 0.00 C ATOM 1341 CG GLN A 89 4.923 -7.040 -5.561 1.00 0.00 C ATOM 1342 CD GLN A 89 4.416 -8.483 -5.613 1.00 0.00 C ATOM 1343 OE1 GLN A 89 4.094 -9.091 -4.606 1.00 0.00 O ATOM 1344 NE2 GLN A 89 4.364 -8.994 -6.839 1.00 0.00 N ATOM 0 H GLN A 89 1.564 -6.360 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 89 4.231 -5.365 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.926 -6.580 -6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.100 -5.325 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.711 -6.901 -6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.364 -6.841 -4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.649 -8.429 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.039 -9.951 -6.979 1.00 0.00 H new ATOM 1353 N MET A 90 3.545 -2.995 -3.931 1.00 0.00 N ATOM 1354 CA MET A 90 3.320 -1.566 -4.070 1.00 0.00 C ATOM 1355 C MET A 90 4.585 -0.858 -4.559 1.00 0.00 C ATOM 1356 O MET A 90 5.697 -1.316 -4.301 1.00 0.00 O ATOM 1357 CB MET A 90 2.897 -0.982 -2.721 1.00 0.00 C ATOM 1358 CG MET A 90 1.649 -1.687 -2.185 1.00 0.00 C ATOM 1359 SD MET A 90 1.531 -1.461 -0.419 1.00 0.00 S ATOM 1360 CE MET A 90 0.207 -0.267 -0.347 1.00 0.00 C ATOM 0 H MET A 90 4.087 -3.264 -3.110 1.00 0.00 H new ATOM 0 HA MET A 90 2.531 -1.411 -4.806 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.712 -1.084 -2.005 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.699 0.084 -2.829 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.759 -1.288 -2.671 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.692 -2.750 -2.422 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.413 -0.464 0.528 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.626 0.737 -0.277 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.402 -0.344 -1.248 1.00 0.00 H new ATOM 1370 N GLN A 91 4.373 0.248 -5.258 1.00 0.00 N ATOM 1371 CA GLN A 91 5.483 1.024 -5.785 1.00 0.00 C ATOM 1372 C GLN A 91 5.332 2.496 -5.397 1.00 0.00 C ATOM 1373 O GLN A 91 4.334 3.132 -5.735 1.00 0.00 O ATOM 1374 CB GLN A 91 5.590 0.865 -7.303 1.00 0.00 C ATOM 1375 CG GLN A 91 6.254 -0.464 -7.669 1.00 0.00 C ATOM 1376 CD GLN A 91 6.252 -0.679 -9.184 1.00 0.00 C ATOM 1377 OE1 GLN A 91 7.029 -0.094 -9.921 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.338 -1.548 -9.607 1.00 0.00 N ATOM 0 H GLN A 91 3.450 0.625 -5.471 1.00 0.00 H new ATOM 0 HA GLN A 91 6.407 0.646 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.596 0.914 -7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.167 1.691 -7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.279 -0.477 -7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.728 -1.284 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.718 -2.003 -8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.257 -1.759 -10.602 1.00 0.00 H new ATOM 1387 N VAL A 92 6.338 2.996 -4.694 1.00 0.00 N ATOM 1388 CA VAL A 92 6.330 4.382 -4.257 1.00 0.00 C ATOM 1389 C VAL A 92 6.566 5.294 -5.463 1.00 0.00 C ATOM 1390 O VAL A 92 7.368 4.975 -6.339 1.00 0.00 O ATOM 1391 CB VAL A 92 7.359 4.585 -3.144 1.00 0.00 C ATOM 1392 CG1 VAL A 92 8.008 5.967 -3.242 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.726 4.373 -1.767 1.00 0.00 C ATOM 0 H VAL A 92 7.164 2.466 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 92 5.359 4.644 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 92 8.142 3.838 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.735 6.085 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.511 6.066 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.241 6.736 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.479 4.523 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.914 5.086 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.334 3.358 -1.699 1.00 0.00 H new ATOM 1403 N HIS A 93 5.852 6.410 -5.469 1.00 0.00 N ATOM 1404 CA HIS A 93 5.973 7.370 -6.553 1.00 0.00 C ATOM 1405 C HIS A 93 5.884 8.791 -5.992 1.00 0.00 C ATOM 1406 O HIS A 93 4.803 9.375 -5.940 1.00 0.00 O ATOM 1407 CB HIS A 93 4.933 7.096 -7.640 1.00 0.00 C ATOM 1408 CG HIS A 93 5.134 5.788 -8.367 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.054 5.631 -9.389 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.526 4.577 -8.208 1.00 0.00 C ATOM 1411 CE1 HIS A 93 5.992 4.380 -9.819 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.045 3.728 -9.086 1.00 0.00 N ATOM 0 H HIS A 93 5.188 6.671 -4.740 1.00 0.00 H new ATOM 0 HA HIS A 93 6.948 7.265 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.941 7.100 -7.188 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.957 7.910 -8.365 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.753 4.348 -7.489 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.587 3.951 -10.612 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.779 2.749 -9.195 1.00 0.00 H new ATOM 1420 N GLU A 94 7.036 9.306 -5.586 1.00 0.00 N ATOM 1421 CA GLU A 94 7.102 10.647 -5.031 1.00 0.00 C ATOM 1422 C GLU A 94 6.123 11.571 -5.759 1.00 0.00 C ATOM 1423 O GLU A 94 5.857 11.388 -6.946 1.00 0.00 O ATOM 1424 CB GLU A 94 8.528 11.198 -5.096 1.00 0.00 C ATOM 1425 CG GLU A 94 8.997 11.669 -3.718 1.00 0.00 C ATOM 1426 CD GLU A 94 8.694 13.154 -3.514 1.00 0.00 C ATOM 1427 OE1 GLU A 94 7.723 13.627 -4.144 1.00 0.00 O ATOM 1428 OE2 GLU A 94 9.439 13.783 -2.733 1.00 0.00 O ATOM 0 H GLU A 94 7.931 8.818 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 94 6.814 10.599 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.203 10.428 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.569 12.028 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.503 11.084 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.068 11.495 -3.615 1.00 0.00 H new