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= -1.82! K(o=-4.7!,f=-3.3) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.71! C(o=-4.7!,f=-6.1!) USER MOD Set 1.3: A 89 GLN : amide:sc= -0.182 K(o=-4.7,f=-3.3) USER MOD Set 2.1: A 80 MET CE :methyl 129:sc= -3.13! (180deg=-1.31) USER MOD Set 2.2: A 84 GLN : amide:sc= -3.01! K(o=-6.1!,f=-3.3) USER MOD Set 3.1: A 26 GLN : amide:sc= -4.18! C(o=-4.5!,f=-7.8!) USER MOD Set 3.2: A 48 SER OG : rot 176:sc= -0.303! USER MOD Single : A 14 GLN : amide:sc= -0.657 X(o=-0.66,f=-1.1) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= 0.0312 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.86) 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= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -150:sc= -2.35! (180deg=-3.68!) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -1.98 (180deg=-3.26!) USER MOD Single : A 52 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 53 THR OG1 : rot 42:sc= 0.139 USER MOD Single : A 55 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.27) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 165:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.65! C(o=-2.6!,f=-2.5!) USER MOD Single : A 67 SER OG : rot -12:sc= 0.8! 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= 0.0699 X(o=0.07,f=-0.43) USER MOD Single : A 74 TYR OH : rot 149:sc= -1.47 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= -0.899 K(o=-0.9,f=-3.7!) USER MOD Single : A 90 MET CE :methyl -108:sc= -1.16 (180deg=-2.3!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 154 N GLN A 14 -2.158 -9.941 8.876 1.00 0.00 N ATOM 155 CA GLN A 14 -0.797 -9.501 8.619 1.00 0.00 C ATOM 156 C GLN A 14 -0.485 -9.590 7.124 1.00 0.00 C ATOM 157 O GLN A 14 -0.206 -10.671 6.607 1.00 0.00 O ATOM 158 CB GLN A 14 0.207 -10.315 9.438 1.00 0.00 C ATOM 159 CG GLN A 14 0.070 -10.011 10.931 1.00 0.00 C ATOM 160 CD GLN A 14 1.068 -10.831 11.752 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.401 -11.958 11.425 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.524 -10.204 12.832 1.00 0.00 N ATOM 0 HA GLN A 14 -0.708 -8.460 8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.047 -11.379 9.264 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.221 -10.087 9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.236 -8.948 11.106 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.945 -10.233 11.259 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.203 -9.260 13.047 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.195 -10.667 13.445 1.00 0.00 H new ATOM 171 N VAL A 15 -0.541 -8.439 6.470 1.00 0.00 N ATOM 172 CA VAL A 15 -0.267 -8.373 5.045 1.00 0.00 C ATOM 173 C VAL A 15 1.145 -7.827 4.826 1.00 0.00 C ATOM 174 O VAL A 15 1.624 -7.004 5.605 1.00 0.00 O ATOM 175 CB VAL A 15 -1.344 -7.543 4.343 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.849 -7.037 2.987 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.640 -8.342 4.191 1.00 0.00 C ATOM 0 H VAL A 15 -0.772 -7.544 6.901 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.303 -9.369 4.603 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.557 -6.675 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.633 -6.450 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.034 -6.414 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.594 -7.886 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.389 -7.729 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.448 -9.237 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.008 -8.630 5.176 1.00 0.00 H new ATOM 187 N THR A 16 1.772 -8.308 3.763 1.00 0.00 N ATOM 188 CA THR A 16 3.121 -7.879 3.431 1.00 0.00 C ATOM 189 C THR A 16 3.086 -6.810 2.337 1.00 0.00 C ATOM 190 O THR A 16 2.914 -7.125 1.161 1.00 0.00 O ATOM 191 CB THR A 16 3.930 -9.118 3.044 1.00 0.00 C ATOM 192 OG1 THR A 16 3.839 -9.963 4.188 1.00 0.00 O ATOM 193 CG2 THR A 16 5.426 -8.825 2.916 1.00 0.00 C ATOM 0 H THR A 16 1.371 -8.991 3.120 1.00 0.00 H new ATOM 0 HA THR A 16 3.608 -7.409 4.286 1.00 0.00 H new ATOM 0 HB THR A 16 3.556 -9.515 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.335 -10.792 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.953 -9.738 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.584 -8.068 2.148 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.808 -8.460 3.869 1.00 0.00 H new ATOM 201 N LEU A 17 3.253 -5.567 2.764 1.00 0.00 N ATOM 202 CA LEU A 17 3.244 -4.449 1.836 1.00 0.00 C ATOM 203 C LEU A 17 4.650 -4.253 1.265 1.00 0.00 C ATOM 204 O LEU A 17 5.508 -3.653 1.911 1.00 0.00 O ATOM 205 CB LEU A 17 2.673 -3.199 2.508 1.00 0.00 C ATOM 206 CG LEU A 17 1.211 -3.283 2.950 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.796 -2.025 3.716 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.293 -3.557 1.757 1.00 0.00 C ATOM 0 H LEU A 17 3.395 -5.309 3.741 1.00 0.00 H new ATOM 0 HA LEU A 17 2.585 -4.659 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.283 -2.970 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.776 -2.361 1.818 1.00 0.00 H new ATOM 0 HG LEU A 17 1.109 -4.125 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.248 -2.111 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.422 -1.915 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.917 -1.152 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.741 -3.612 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.392 -2.752 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.573 -4.503 1.292 1.00 0.00 H new ATOM 220 N ASN A 18 4.843 -4.771 0.061 1.00 0.00 N ATOM 221 CA ASN A 18 6.130 -4.661 -0.603 1.00 0.00 C ATOM 222 C ASN A 18 6.189 -3.342 -1.377 1.00 0.00 C ATOM 223 O ASN A 18 5.605 -3.224 -2.454 1.00 0.00 O ATOM 224 CB ASN A 18 6.335 -5.804 -1.600 1.00 0.00 C ATOM 225 CG ASN A 18 6.194 -7.163 -0.912 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.816 -7.444 0.099 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.344 -7.989 -1.516 1.00 0.00 N ATOM 0 H ASN A 18 4.129 -5.268 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 18 6.908 -4.704 0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.606 -5.723 -2.406 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.323 -5.723 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.181 -8.921 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.855 -7.690 -2.360 1.00 0.00 H new ATOM 234 N VAL A 19 6.897 -2.384 -0.799 1.00 0.00 N ATOM 235 CA VAL A 19 7.039 -1.079 -1.421 1.00 0.00 C ATOM 236 C VAL A 19 8.339 -1.041 -2.227 1.00 0.00 C ATOM 237 O VAL A 19 9.416 -1.287 -1.686 1.00 0.00 O ATOM 238 CB VAL A 19 6.964 0.019 -0.357 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.152 1.402 -0.983 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.646 -0.059 0.418 1.00 0.00 C ATOM 0 H VAL A 19 7.379 -2.485 0.094 1.00 0.00 H new ATOM 0 HA VAL A 19 6.220 -0.897 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 19 7.778 -0.142 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.094 2.164 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.126 1.452 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.369 1.577 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.617 0.732 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.811 0.064 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.570 -1.029 0.910 1.00 0.00 H new ATOM 250 N THR A 20 8.195 -0.732 -3.507 1.00 0.00 N ATOM 251 CA THR A 20 9.345 -0.659 -4.393 1.00 0.00 C ATOM 252 C THR A 20 9.546 0.775 -4.888 1.00 0.00 C ATOM 253 O THR A 20 8.893 1.205 -5.837 1.00 0.00 O ATOM 254 CB THR A 20 9.135 -1.668 -5.524 1.00 0.00 C ATOM 255 OG1 THR A 20 9.512 -2.917 -4.949 1.00 0.00 O ATOM 256 CG2 THR A 20 10.125 -1.474 -6.674 1.00 0.00 C ATOM 0 H THR A 20 7.300 -0.529 -3.952 1.00 0.00 H new ATOM 0 HA THR A 20 10.265 -0.921 -3.870 1.00 0.00 H new ATOM 0 HB THR A 20 8.117 -1.581 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.405 -3.629 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.932 -2.215 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.007 -0.474 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.143 -1.594 -6.302 1.00 0.00 H new ATOM 264 N PHE A 21 10.454 1.474 -4.223 1.00 0.00 N ATOM 265 CA PHE A 21 10.750 2.850 -4.583 1.00 0.00 C ATOM 266 C PHE A 21 11.975 2.926 -5.497 1.00 0.00 C ATOM 267 O PHE A 21 13.107 2.786 -5.037 1.00 0.00 O ATOM 268 CB PHE A 21 11.052 3.598 -3.283 1.00 0.00 C ATOM 269 CG PHE A 21 11.373 5.081 -3.478 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.751 5.788 -4.460 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.281 5.692 -2.671 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.050 7.164 -4.641 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.579 7.069 -2.852 1.00 0.00 C ATOM 274 CZ PHE A 21 11.957 7.776 -3.833 1.00 0.00 C ATOM 0 H PHE A 21 10.994 1.113 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 21 9.904 3.285 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.195 3.507 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.895 3.117 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.030 5.303 -5.101 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.776 5.130 -1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.557 7.725 -5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.300 7.554 -2.210 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.183 8.823 -3.971 1.00 0.00 H new ATOM 284 N LYS A 22 11.707 3.148 -6.776 1.00 0.00 N ATOM 285 CA LYS A 22 12.773 3.244 -7.758 1.00 0.00 C ATOM 286 C LYS A 22 13.462 1.885 -7.891 1.00 0.00 C ATOM 287 O LYS A 22 13.023 1.035 -8.664 1.00 0.00 O ATOM 288 CB LYS A 22 13.728 4.385 -7.403 1.00 0.00 C ATOM 289 CG LYS A 22 13.010 5.736 -7.448 1.00 0.00 C ATOM 290 CD LYS A 22 13.944 6.869 -7.020 1.00 0.00 C ATOM 291 CE LYS A 22 14.409 6.679 -5.574 1.00 0.00 C ATOM 292 NZ LYS A 22 15.097 7.895 -5.087 1.00 0.00 N ATOM 0 H LYS A 22 10.767 3.264 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 22 12.366 3.493 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.141 4.222 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.567 4.392 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.644 5.924 -8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.139 5.711 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.809 6.902 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.430 7.825 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.553 6.458 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.082 5.824 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.940 7.622 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.382 8.481 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.453 8.438 -4.477 1.00 0.00 H new ATOM 306 N ASN A 23 14.531 1.721 -7.126 1.00 0.00 N ATOM 307 CA ASN A 23 15.286 0.480 -7.149 1.00 0.00 C ATOM 308 C ASN A 23 15.307 -0.125 -5.743 1.00 0.00 C ATOM 309 O ASN A 23 15.850 -1.210 -5.539 1.00 0.00 O ATOM 310 CB ASN A 23 16.733 0.722 -7.581 1.00 0.00 C ATOM 311 CG ASN A 23 17.593 -0.519 -7.338 1.00 0.00 C ATOM 312 OD1 ASN A 23 17.504 -1.515 -8.037 1.00 0.00 O ATOM 313 ND2 ASN A 23 18.430 -0.405 -6.310 1.00 0.00 N ATOM 0 H ASN A 23 14.893 2.428 -6.486 1.00 0.00 H new ATOM 0 HA ASN A 23 14.806 -0.193 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.761 0.987 -8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.144 1.567 -7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.047 -1.180 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.454 0.457 -5.765 1.00 0.00 H new ATOM 320 N GLU A 24 14.710 0.603 -4.811 1.00 0.00 N ATOM 321 CA GLU A 24 14.654 0.153 -3.431 1.00 0.00 C ATOM 322 C GLU A 24 13.393 -0.682 -3.196 1.00 0.00 C ATOM 323 O GLU A 24 12.353 -0.423 -3.799 1.00 0.00 O ATOM 324 CB GLU A 24 14.716 1.337 -2.465 1.00 0.00 C ATOM 325 CG GLU A 24 16.123 1.938 -2.423 1.00 0.00 C ATOM 326 CD GLU A 24 16.115 3.306 -1.739 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.470 4.218 -2.301 1.00 0.00 O ATOM 328 OE2 GLU A 24 16.754 3.410 -0.670 1.00 0.00 O ATOM 0 H GLU A 24 14.261 1.502 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 24 15.523 -0.476 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.000 2.099 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.426 1.011 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.794 1.265 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.510 2.037 -3.437 1.00 0.00 H new ATOM 335 N ILE A 25 13.528 -1.665 -2.318 1.00 0.00 N ATOM 336 CA ILE A 25 12.413 -2.539 -1.996 1.00 0.00 C ATOM 337 C ILE A 25 12.268 -2.635 -0.476 1.00 0.00 C ATOM 338 O ILE A 25 13.248 -2.867 0.230 1.00 0.00 O ATOM 339 CB ILE A 25 12.578 -3.895 -2.685 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.537 -3.745 -4.207 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.538 -4.897 -2.180 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.310 -4.875 -4.891 1.00 0.00 C ATOM 0 H ILE A 25 14.393 -1.875 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 25 11.481 -2.124 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 25 13.560 -4.292 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.502 -3.749 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.963 -2.783 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.678 -5.852 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.657 -5.035 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.537 -4.519 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.265 -4.744 -5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.350 -4.853 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.866 -5.834 -4.623 1.00 0.00 H new ATOM 354 N GLN A 26 11.039 -2.451 -0.018 1.00 0.00 N ATOM 355 CA GLN A 26 10.754 -2.514 1.406 1.00 0.00 C ATOM 356 C GLN A 26 9.517 -3.378 1.662 1.00 0.00 C ATOM 357 O GLN A 26 8.780 -3.704 0.732 1.00 0.00 O ATOM 358 CB GLN A 26 10.574 -1.112 1.992 1.00 0.00 C ATOM 359 CG GLN A 26 11.799 -0.699 2.810 1.00 0.00 C ATOM 360 CD GLN A 26 11.381 -0.054 4.133 1.00 0.00 C ATOM 361 OE1 GLN A 26 10.351 -0.365 4.708 1.00 0.00 O ATOM 362 NE2 GLN A 26 12.237 0.860 4.584 1.00 0.00 N ATOM 0 H GLN A 26 10.229 -2.258 -0.607 1.00 0.00 H new ATOM 0 HA GLN A 26 11.605 -2.975 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.411 -0.395 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.686 -1.089 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.421 -1.572 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.406 0.001 2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.082 1.073 4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.048 1.347 5.460 1.00 0.00 H new ATOM 371 N SER A 27 9.328 -3.725 2.926 1.00 0.00 N ATOM 372 CA SER A 27 8.194 -4.545 3.316 1.00 0.00 C ATOM 373 C SER A 27 7.636 -4.063 4.657 1.00 0.00 C ATOM 374 O SER A 27 8.389 -3.857 5.608 1.00 0.00 O ATOM 375 CB SER A 27 8.585 -6.021 3.403 1.00 0.00 C ATOM 376 OG SER A 27 7.873 -6.702 4.432 1.00 0.00 O ATOM 0 H SER A 27 9.942 -3.453 3.694 1.00 0.00 H new ATOM 0 HA SER A 27 7.422 -4.447 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.390 -6.505 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.656 -6.102 3.589 1.00 0.00 H new ATOM 0 HG SER A 27 8.150 -7.642 4.454 1.00 0.00 H new ATOM 382 N PHE A 28 6.322 -3.899 4.691 1.00 0.00 N ATOM 383 CA PHE A 28 5.655 -3.445 5.900 1.00 0.00 C ATOM 384 C PHE A 28 4.492 -4.370 6.264 1.00 0.00 C ATOM 385 O PHE A 28 3.497 -4.436 5.544 1.00 0.00 O ATOM 386 CB PHE A 28 5.107 -2.047 5.611 1.00 0.00 C ATOM 387 CG PHE A 28 6.167 -1.049 5.138 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.491 -0.975 3.819 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.784 -0.235 6.037 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.474 -0.049 3.381 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.767 0.691 5.598 1.00 0.00 C ATOM 392 CZ PHE A 28 8.091 0.764 4.279 1.00 0.00 C ATOM 0 H PHE A 28 5.701 -4.072 3.901 1.00 0.00 H new ATOM 0 HA PHE A 28 6.357 -3.442 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.329 -2.123 4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.635 -1.659 6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.001 -1.620 3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.526 -0.293 7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.732 0.010 2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.257 1.337 6.311 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.839 1.468 3.945 1.00 0.00 H new ATOM 402 N LEU A 29 4.656 -5.063 7.382 1.00 0.00 N ATOM 403 CA LEU A 29 3.633 -5.981 7.850 1.00 0.00 C ATOM 404 C LEU A 29 2.475 -5.183 8.455 1.00 0.00 C ATOM 405 O LEU A 29 2.693 -4.285 9.267 1.00 0.00 O ATOM 406 CB LEU A 29 4.235 -7.011 8.808 1.00 0.00 C ATOM 407 CG LEU A 29 3.397 -8.268 9.055 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.536 -9.256 7.895 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.751 -8.907 10.399 1.00 0.00 C ATOM 0 H LEU A 29 5.483 -5.006 7.977 1.00 0.00 H new ATOM 0 HA LEU A 29 3.226 -6.554 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.206 -7.317 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.415 -6.524 9.767 1.00 0.00 H new ATOM 0 HG LEU A 29 2.348 -7.976 9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.931 -10.140 8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.196 -8.785 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.581 -9.548 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.142 -9.798 10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.805 -9.183 10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.559 -8.196 11.202 1.00 0.00 H new ATOM 421 N VAL A 30 1.270 -5.539 8.035 1.00 0.00 N ATOM 422 CA VAL A 30 0.078 -4.867 8.524 1.00 0.00 C ATOM 423 C VAL A 30 -0.833 -5.888 9.208 1.00 0.00 C ATOM 424 O VAL A 30 -1.665 -6.517 8.557 1.00 0.00 O ATOM 425 CB VAL A 30 -0.611 -4.124 7.378 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.497 -2.996 7.911 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.414 -3.590 6.376 1.00 0.00 C ATOM 0 H VAL A 30 1.093 -6.284 7.361 1.00 0.00 H new ATOM 0 HA VAL A 30 0.341 -4.116 9.269 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.251 -4.834 6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.975 -2.484 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.261 -3.413 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.886 -2.287 8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.102 -3.066 5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.092 -2.902 6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.984 -4.421 5.961 1.00 0.00 H new ATOM 437 N SER A 31 -0.644 -6.020 10.513 1.00 0.00 N ATOM 438 CA SER A 31 -1.439 -6.954 11.293 1.00 0.00 C ATOM 439 C SER A 31 -2.876 -6.445 11.414 1.00 0.00 C ATOM 440 O SER A 31 -3.747 -7.148 11.923 1.00 0.00 O ATOM 441 CB SER A 31 -0.833 -7.167 12.682 1.00 0.00 C ATOM 442 OG SER A 31 -1.318 -6.218 13.627 1.00 0.00 O ATOM 0 H SER A 31 0.047 -5.496 11.050 1.00 0.00 H new ATOM 0 HA SER A 31 -1.443 -7.914 10.776 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.065 -8.174 13.028 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.253 -7.094 12.619 1.00 0.00 H new ATOM 0 HG SER A 31 -0.909 -6.388 14.501 1.00 0.00 H new ATOM 448 N ASP A 32 -3.080 -5.225 10.937 1.00 0.00 N ATOM 449 CA ASP A 32 -4.397 -4.613 10.985 1.00 0.00 C ATOM 450 C ASP A 32 -4.612 -3.775 9.723 1.00 0.00 C ATOM 451 O ASP A 32 -4.649 -2.547 9.788 1.00 0.00 O ATOM 452 CB ASP A 32 -4.530 -3.688 12.196 1.00 0.00 C ATOM 453 CG ASP A 32 -3.576 -2.492 12.204 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.371 -2.726 11.968 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.074 -1.371 12.446 1.00 0.00 O ATOM 0 H ASP A 32 -2.355 -4.644 10.516 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.137 -5.410 11.057 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.554 -3.317 12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.363 -4.273 13.101 1.00 0.00 H new ATOM 460 N PRO A 33 -4.750 -4.490 8.575 1.00 0.00 N ATOM 461 CA PRO A 33 -4.960 -3.825 7.300 1.00 0.00 C ATOM 462 C PRO A 33 -6.392 -3.298 7.185 1.00 0.00 C ATOM 463 O PRO A 33 -6.670 -2.418 6.372 1.00 0.00 O ATOM 464 CB PRO A 33 -4.627 -4.873 6.250 1.00 0.00 C ATOM 465 CG PRO A 33 -4.693 -6.213 6.964 1.00 0.00 C ATOM 466 CD PRO A 33 -4.711 -5.945 8.460 1.00 0.00 C ATOM 0 HA PRO A 33 -4.331 -2.943 7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.336 -4.836 5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.636 -4.703 5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.586 -6.762 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.835 -6.830 6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.579 -6.403 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.827 -6.357 8.947 1.00 0.00 H new ATOM 474 N GLU A 34 -7.262 -3.859 8.012 1.00 0.00 N ATOM 475 CA GLU A 34 -8.659 -3.457 8.013 1.00 0.00 C ATOM 476 C GLU A 34 -8.899 -2.379 9.072 1.00 0.00 C ATOM 477 O GLU A 34 -9.795 -1.549 8.926 1.00 0.00 O ATOM 478 CB GLU A 34 -9.576 -4.661 8.238 1.00 0.00 C ATOM 479 CG GLU A 34 -9.585 -5.579 7.015 1.00 0.00 C ATOM 480 CD GLU A 34 -11.007 -6.036 6.683 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.906 -5.169 6.727 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.163 -7.242 6.393 1.00 0.00 O ATOM 0 H GLU A 34 -7.027 -4.588 8.686 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.898 -3.039 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.242 -5.218 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.589 -4.317 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.158 -5.055 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.955 -6.448 7.203 1.00 0.00 H new ATOM 489 N ASN A 35 -8.083 -2.426 10.115 1.00 0.00 N ATOM 490 CA ASN A 35 -8.196 -1.464 11.198 1.00 0.00 C ATOM 491 C ASN A 35 -7.441 -0.188 10.821 1.00 0.00 C ATOM 492 O ASN A 35 -8.023 0.895 10.789 1.00 0.00 O ATOM 493 CB ASN A 35 -7.584 -2.012 12.488 1.00 0.00 C ATOM 494 CG ASN A 35 -8.422 -1.615 13.705 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.082 -0.719 14.460 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.534 -2.330 13.853 1.00 0.00 N ATOM 0 H ASN A 35 -7.341 -3.116 10.233 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.255 -1.261 11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.514 -3.098 12.429 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.568 -1.633 12.602 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.161 -2.142 14.635 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.760 -3.066 13.184 1.00 0.00 H new ATOM 503 N THR A 36 -6.156 -0.358 10.546 1.00 0.00 N ATOM 504 CA THR A 36 -5.316 0.767 10.172 1.00 0.00 C ATOM 505 C THR A 36 -5.971 1.573 9.050 1.00 0.00 C ATOM 506 O THR A 36 -7.040 1.209 8.561 1.00 0.00 O ATOM 507 CB THR A 36 -3.935 0.222 9.803 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.054 1.317 10.042 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.794 -0.048 8.303 1.00 0.00 C ATOM 0 H THR A 36 -5.676 -1.258 10.575 1.00 0.00 H new ATOM 0 HA THR A 36 -5.196 1.464 11.001 1.00 0.00 H new ATOM 0 HB THR A 36 -3.748 -0.698 10.357 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.135 1.050 9.830 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.796 -0.433 8.095 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.538 -0.782 7.994 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.948 0.879 7.750 1.00 0.00 H new ATOM 517 N THR A 37 -5.304 2.654 8.674 1.00 0.00 N ATOM 518 CA THR A 37 -5.808 3.515 7.618 1.00 0.00 C ATOM 519 C THR A 37 -4.734 3.738 6.552 1.00 0.00 C ATOM 520 O THR A 37 -3.550 3.839 6.870 1.00 0.00 O ATOM 521 CB THR A 37 -6.303 4.812 8.261 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.213 5.233 9.077 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.442 4.575 9.255 1.00 0.00 C ATOM 0 H THR A 37 -4.418 2.953 9.082 1.00 0.00 H new ATOM 0 HA THR A 37 -6.646 3.052 7.098 1.00 0.00 H new ATOM 0 HB THR A 37 -6.637 5.498 7.483 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.448 6.069 9.530 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.756 5.527 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.284 4.113 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.098 3.915 10.052 1.00 0.00 H new ATOM 531 N TRP A 38 -5.185 3.807 5.308 1.00 0.00 N ATOM 532 CA TRP A 38 -4.277 4.015 4.193 1.00 0.00 C ATOM 533 C TRP A 38 -3.404 5.230 4.515 1.00 0.00 C ATOM 534 O TRP A 38 -2.225 5.261 4.166 1.00 0.00 O ATOM 535 CB TRP A 38 -5.047 4.164 2.879 1.00 0.00 C ATOM 536 CG TRP A 38 -4.206 4.710 1.723 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.374 5.857 1.051 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.051 4.081 1.128 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.416 6.013 0.070 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.586 4.899 0.118 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.420 2.862 1.434 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.471 4.586 -0.668 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.307 2.565 0.638 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.826 3.377 -0.382 1.00 0.00 C ATOM 0 H TRP A 38 -6.168 3.723 5.048 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.631 3.148 4.055 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.450 3.192 2.594 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.897 4.827 3.041 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.160 6.570 1.252 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.332 6.801 -0.572 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.766 2.207 2.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.127 5.242 -1.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.785 1.639 0.830 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.041 3.077 -0.951 1.00 0.00 H new ATOM 555 N ALA A 39 -4.016 6.200 5.176 1.00 0.00 N ATOM 556 CA ALA A 39 -3.310 7.414 5.549 1.00 0.00 C ATOM 557 C ALA A 39 -2.088 7.048 6.395 1.00 0.00 C ATOM 558 O ALA A 39 -1.050 7.703 6.308 1.00 0.00 O ATOM 559 CB ALA A 39 -4.266 8.357 6.283 1.00 0.00 C ATOM 0 H ALA A 39 -4.994 6.170 5.464 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.953 7.938 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.736 9.267 6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.101 8.610 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.643 7.867 7.181 1.00 0.00 H new ATOM 565 N ASP A 40 -2.252 6.003 7.193 1.00 0.00 N ATOM 566 CA ASP A 40 -1.175 5.543 8.053 1.00 0.00 C ATOM 567 C ASP A 40 -0.110 4.848 7.202 1.00 0.00 C ATOM 568 O ASP A 40 1.083 4.974 7.470 1.00 0.00 O ATOM 569 CB ASP A 40 -1.687 4.536 9.085 1.00 0.00 C ATOM 570 CG ASP A 40 -1.630 5.012 10.537 1.00 0.00 C ATOM 571 OD1 ASP A 40 -0.599 5.623 10.894 1.00 0.00 O ATOM 572 OD2 ASP A 40 -2.619 4.756 11.258 1.00 0.00 O ATOM 0 H ASP A 40 -3.114 5.462 7.262 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.761 6.410 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.719 4.283 8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.104 3.619 8.996 1.00 0.00 H new ATOM 577 N ILE A 41 -0.581 4.129 6.193 1.00 0.00 N ATOM 578 CA ILE A 41 0.316 3.414 5.302 1.00 0.00 C ATOM 579 C ILE A 41 1.029 4.416 4.391 1.00 0.00 C ATOM 580 O ILE A 41 2.244 4.343 4.212 1.00 0.00 O ATOM 581 CB ILE A 41 -0.441 2.322 4.542 1.00 0.00 C ATOM 582 CG1 ILE A 41 -0.724 1.121 5.446 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.308 1.919 3.270 1.00 0.00 C ATOM 584 CD1 ILE A 41 -2.064 1.281 6.167 1.00 0.00 C ATOM 0 H ILE A 41 -1.572 4.027 5.973 1.00 0.00 H new ATOM 0 HA ILE A 41 1.087 2.897 5.873 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.405 2.726 4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.734 0.208 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.077 1.016 6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.251 1.142 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.414 2.787 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.295 1.540 3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.241 0.414 6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.042 2.182 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.865 1.361 5.432 1.00 0.00 H new ATOM 596 N GLU A 42 0.242 5.328 3.838 1.00 0.00 N ATOM 597 CA GLU A 42 0.783 6.343 2.950 1.00 0.00 C ATOM 598 C GLU A 42 1.915 7.105 3.642 1.00 0.00 C ATOM 599 O GLU A 42 3.031 7.166 3.128 1.00 0.00 O ATOM 600 CB GLU A 42 -0.314 7.300 2.480 1.00 0.00 C ATOM 601 CG GLU A 42 -0.073 7.744 1.036 1.00 0.00 C ATOM 602 CD GLU A 42 -1.396 7.919 0.287 1.00 0.00 C ATOM 603 OE1 GLU A 42 -2.392 8.249 0.965 1.00 0.00 O ATOM 604 OE2 GLU A 42 -1.380 7.718 -0.947 1.00 0.00 O ATOM 0 H GLU A 42 -0.765 5.385 3.988 1.00 0.00 H new ATOM 0 HA GLU A 42 1.190 5.848 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.285 6.811 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.344 8.173 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.480 8.683 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.544 7.006 0.523 1.00 0.00 H new ATOM 611 N ALA A 43 1.589 7.666 4.797 1.00 0.00 N ATOM 612 CA ALA A 43 2.565 8.421 5.564 1.00 0.00 C ATOM 613 C ALA A 43 3.672 7.478 6.041 1.00 0.00 C ATOM 614 O ALA A 43 4.850 7.830 6.003 1.00 0.00 O ATOM 615 CB ALA A 43 1.864 9.131 6.724 1.00 0.00 C ATOM 0 H ALA A 43 0.663 7.613 5.220 1.00 0.00 H new ATOM 0 HA ALA A 43 3.030 9.188 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.596 9.697 7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.107 9.810 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.389 8.392 7.369 1.00 0.00 H new ATOM 621 N MET A 44 3.254 6.299 6.478 1.00 0.00 N ATOM 622 CA MET A 44 4.196 5.304 6.962 1.00 0.00 C ATOM 623 C MET A 44 5.341 5.104 5.968 1.00 0.00 C ATOM 624 O MET A 44 6.511 5.164 6.342 1.00 0.00 O ATOM 625 CB MET A 44 3.468 3.975 7.178 1.00 0.00 C ATOM 626 CG MET A 44 4.456 2.807 7.204 1.00 0.00 C ATOM 627 SD MET A 44 3.700 1.385 7.974 1.00 0.00 S ATOM 628 CE MET A 44 2.754 0.755 6.598 1.00 0.00 C ATOM 0 H MET A 44 2.276 6.011 6.507 1.00 0.00 H new ATOM 0 HA MET A 44 4.616 5.656 7.904 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.914 4.008 8.116 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.739 3.822 6.382 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.766 2.559 6.189 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.355 3.092 7.751 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.862 0.252 6.970 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.461 1.581 5.949 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.361 0.047 6.033 1.00 0.00 H new ATOM 638 N VAL A 45 4.964 4.870 4.719 1.00 0.00 N ATOM 639 CA VAL A 45 5.945 4.661 3.668 1.00 0.00 C ATOM 640 C VAL A 45 6.800 5.920 3.516 1.00 0.00 C ATOM 641 O VAL A 45 8.028 5.843 3.497 1.00 0.00 O ATOM 642 CB VAL A 45 5.243 4.255 2.370 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.231 4.213 1.202 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.527 2.913 2.531 1.00 0.00 C ATOM 0 H VAL A 45 3.993 4.821 4.412 1.00 0.00 H new ATOM 0 HA VAL A 45 6.616 3.842 3.929 1.00 0.00 H new ATOM 0 HB VAL A 45 4.491 5.011 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.706 3.922 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.675 5.199 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.016 3.488 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.036 2.648 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.253 2.142 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.781 2.991 3.322 1.00 0.00 H new ATOM 654 N LYS A 46 6.118 7.051 3.412 1.00 0.00 N ATOM 655 CA LYS A 46 6.800 8.326 3.263 1.00 0.00 C ATOM 656 C LYS A 46 7.995 8.374 4.217 1.00 0.00 C ATOM 657 O LYS A 46 9.144 8.318 3.782 1.00 0.00 O ATOM 658 CB LYS A 46 5.818 9.484 3.448 1.00 0.00 C ATOM 659 CG LYS A 46 5.295 9.980 2.098 1.00 0.00 C ATOM 660 CD LYS A 46 4.205 11.036 2.287 1.00 0.00 C ATOM 661 CE LYS A 46 2.870 10.387 2.657 1.00 0.00 C ATOM 662 NZ LYS A 46 1.932 10.442 1.514 1.00 0.00 N ATOM 0 H LYS A 46 5.100 7.111 3.428 1.00 0.00 H new ATOM 0 HA LYS A 46 7.194 8.432 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.983 9.161 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.310 10.302 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.117 10.400 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.898 9.141 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.503 11.735 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.091 11.614 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.032 9.350 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.436 10.899 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.955 10.372 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.055 11.342 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.126 9.651 0.867 1.00 0.00 H new ATOM 676 N VAL A 47 7.683 8.479 5.501 1.00 0.00 N ATOM 677 CA VAL A 47 8.717 8.536 6.520 1.00 0.00 C ATOM 678 C VAL A 47 9.729 7.415 6.277 1.00 0.00 C ATOM 679 O VAL A 47 10.936 7.634 6.368 1.00 0.00 O ATOM 680 CB VAL A 47 8.083 8.479 7.912 1.00 0.00 C ATOM 681 CG1 VAL A 47 7.111 9.642 8.120 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.389 7.135 8.142 1.00 0.00 C ATOM 0 H VAL A 47 6.729 8.526 5.858 1.00 0.00 H new ATOM 0 HA VAL A 47 9.259 9.480 6.463 1.00 0.00 H new ATOM 0 HB VAL A 47 8.881 8.575 8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.675 9.578 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.646 10.586 8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.319 9.592 7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.947 7.120 9.138 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.607 6.997 7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.118 6.330 8.057 1.00 0.00 H new ATOM 692 N SER A 48 9.200 6.239 5.973 1.00 0.00 N ATOM 693 CA SER A 48 10.043 5.084 5.716 1.00 0.00 C ATOM 694 C SER A 48 11.129 5.443 4.701 1.00 0.00 C ATOM 695 O SER A 48 12.259 4.967 4.800 1.00 0.00 O ATOM 696 CB SER A 48 9.215 3.900 5.211 1.00 0.00 C ATOM 697 OG SER A 48 9.831 2.651 5.512 1.00 0.00 O ATOM 0 H SER A 48 8.198 6.061 5.899 1.00 0.00 H new ATOM 0 HA SER A 48 10.515 4.790 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.223 3.933 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.079 3.987 4.133 1.00 0.00 H new ATOM 0 HG SER A 48 9.243 1.920 5.229 1.00 0.00 H new ATOM 703 N PHE A 49 10.749 6.281 3.747 1.00 0.00 N ATOM 704 CA PHE A 49 11.677 6.710 2.714 1.00 0.00 C ATOM 705 C PHE A 49 11.902 8.222 2.773 1.00 0.00 C ATOM 706 O PHE A 49 12.364 8.823 1.804 1.00 0.00 O ATOM 707 CB PHE A 49 11.044 6.352 1.368 1.00 0.00 C ATOM 708 CG PHE A 49 11.101 4.861 1.030 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.180 4.353 0.376 1.00 0.00 C ATOM 710 CD2 PHE A 49 10.073 4.044 1.383 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.233 2.969 0.062 1.00 0.00 C ATOM 712 CE2 PHE A 49 10.127 2.660 1.070 1.00 0.00 C ATOM 713 CZ PHE A 49 11.205 2.152 0.416 1.00 0.00 C ATOM 0 H PHE A 49 9.811 6.674 3.668 1.00 0.00 H new ATOM 0 HA PHE A 49 12.641 6.221 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.003 6.674 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.548 6.912 0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.996 5.002 0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.216 4.448 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.089 2.565 -0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.311 2.011 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.245 1.099 0.177 1.00 0.00 H new ATOM 723 N ASP A 50 11.565 8.794 3.920 1.00 0.00 N ATOM 724 CA ASP A 50 11.725 10.224 4.118 1.00 0.00 C ATOM 725 C ASP A 50 11.223 10.966 2.877 1.00 0.00 C ATOM 726 O ASP A 50 12.007 11.299 1.989 1.00 0.00 O ATOM 727 CB ASP A 50 13.196 10.591 4.325 1.00 0.00 C ATOM 728 CG ASP A 50 13.485 11.420 5.578 1.00 0.00 C ATOM 729 OD1 ASP A 50 13.191 10.906 6.679 1.00 0.00 O ATOM 730 OD2 ASP A 50 13.993 12.549 5.407 1.00 0.00 O ATOM 0 H ASP A 50 11.182 8.293 4.721 1.00 0.00 H new ATOM 0 HA ASP A 50 11.155 10.507 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.781 9.672 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.543 11.145 3.453 1.00 0.00 H new ATOM 735 N LEU A 51 9.920 11.202 2.855 1.00 0.00 N ATOM 736 CA LEU A 51 9.305 11.898 1.737 1.00 0.00 C ATOM 737 C LEU A 51 8.143 12.751 2.250 1.00 0.00 C ATOM 738 O LEU A 51 7.594 12.480 3.317 1.00 0.00 O ATOM 739 CB LEU A 51 8.903 10.906 0.644 1.00 0.00 C ATOM 740 CG LEU A 51 9.978 9.901 0.223 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.383 8.798 -0.654 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.151 10.607 -0.461 1.00 0.00 C ATOM 0 H LEU A 51 9.273 10.924 3.593 1.00 0.00 H new ATOM 0 HA LEU A 51 10.019 12.577 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.030 10.352 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.596 11.470 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 51 10.369 9.423 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.168 8.097 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.609 8.269 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.948 9.241 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.901 9.870 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.794 11.129 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.595 11.325 0.228 1.00 0.00 H new ATOM 754 N ASN A 52 7.802 13.763 1.466 1.00 0.00 N ATOM 755 CA ASN A 52 6.715 14.657 1.828 1.00 0.00 C ATOM 756 C ASN A 52 5.402 14.111 1.263 1.00 0.00 C ATOM 757 O ASN A 52 4.453 13.873 2.008 1.00 0.00 O ATOM 758 CB ASN A 52 6.935 16.055 1.247 1.00 0.00 C ATOM 759 CG ASN A 52 7.460 17.017 2.315 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.557 16.875 2.830 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.617 18.000 2.618 1.00 0.00 N ATOM 0 H ASN A 52 8.259 13.984 0.581 1.00 0.00 H new ATOM 0 HA ASN A 52 6.678 14.720 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.644 16.002 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.998 16.435 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.874 18.694 3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.714 18.060 2.148 1.00 0.00 H new ATOM 768 N THR A 53 5.390 13.930 -0.049 1.00 0.00 N ATOM 769 CA THR A 53 4.209 13.417 -0.723 1.00 0.00 C ATOM 770 C THR A 53 4.596 12.320 -1.717 1.00 0.00 C ATOM 771 O THR A 53 5.441 12.534 -2.585 1.00 0.00 O ATOM 772 CB THR A 53 3.485 14.597 -1.373 1.00 0.00 C ATOM 773 OG1 THR A 53 4.523 15.325 -2.024 1.00 0.00 O ATOM 774 CG2 THR A 53 2.930 15.583 -0.342 1.00 0.00 C ATOM 0 H THR A 53 6.179 14.129 -0.664 1.00 0.00 H new ATOM 0 HA THR A 53 3.525 12.946 -0.017 1.00 0.00 H new ATOM 0 HB THR A 53 2.671 14.225 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.138 14.699 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.426 16.401 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.220 15.070 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.748 15.981 0.258 1.00 0.00 H new ATOM 782 N ILE A 54 3.961 11.168 -1.556 1.00 0.00 N ATOM 783 CA ILE A 54 4.228 10.037 -2.428 1.00 0.00 C ATOM 784 C ILE A 54 2.912 9.538 -3.027 1.00 0.00 C ATOM 785 O ILE A 54 1.836 9.850 -2.517 1.00 0.00 O ATOM 786 CB ILE A 54 5.012 8.957 -1.680 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.088 8.129 -0.785 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.174 9.568 -0.894 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.877 7.070 -0.013 1.00 0.00 C ATOM 0 H ILE A 54 3.262 10.994 -0.834 1.00 0.00 H new ATOM 0 HA ILE A 54 4.863 10.340 -3.261 1.00 0.00 H new ATOM 0 HB ILE A 54 5.442 8.277 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.571 8.785 -0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.323 7.646 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.715 8.779 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.850 10.078 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.786 10.284 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.196 6.496 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.373 6.401 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.624 7.558 0.613 1.00 0.00 H new ATOM 801 N GLN A 55 3.039 8.772 -4.099 1.00 0.00 N ATOM 802 CA GLN A 55 1.873 8.226 -4.773 1.00 0.00 C ATOM 803 C GLN A 55 2.034 6.718 -4.976 1.00 0.00 C ATOM 804 O GLN A 55 2.114 6.246 -6.108 1.00 0.00 O ATOM 805 CB GLN A 55 1.628 8.936 -6.106 1.00 0.00 C ATOM 806 CG GLN A 55 0.149 8.878 -6.494 1.00 0.00 C ATOM 807 CD GLN A 55 -0.702 9.716 -5.539 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.488 10.903 -5.355 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.676 9.035 -4.942 1.00 0.00 N ATOM 0 H GLN A 55 3.933 8.516 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 55 1.000 8.396 -4.142 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.948 9.975 -6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.231 8.471 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.022 9.242 -7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.194 7.843 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.800 8.042 -5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.299 9.505 -4.285 1.00 0.00 H new ATOM 818 N ILE A 56 2.076 6.005 -3.860 1.00 0.00 N ATOM 819 CA ILE A 56 2.226 4.560 -3.901 1.00 0.00 C ATOM 820 C ILE A 56 1.359 3.993 -5.027 1.00 0.00 C ATOM 821 O ILE A 56 0.404 4.635 -5.462 1.00 0.00 O ATOM 822 CB ILE A 56 1.928 3.951 -2.529 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.975 4.380 -1.500 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.803 2.429 -2.620 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.378 4.413 -0.091 1.00 0.00 C ATOM 0 H ILE A 56 2.009 6.401 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 56 3.258 4.291 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 56 0.966 4.333 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.819 3.690 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.361 5.366 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.591 2.022 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.992 2.171 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.737 2.009 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.143 4.721 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.550 5.121 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.015 3.420 0.174 1.00 0.00 H new ATOM 837 N LYS A 57 1.723 2.798 -5.467 1.00 0.00 N ATOM 838 CA LYS A 57 0.990 2.138 -6.533 1.00 0.00 C ATOM 839 C LYS A 57 1.144 0.622 -6.390 1.00 0.00 C ATOM 840 O LYS A 57 2.257 0.101 -6.433 1.00 0.00 O ATOM 841 CB LYS A 57 1.430 2.674 -7.897 1.00 0.00 C ATOM 842 CG LYS A 57 0.827 4.054 -8.164 1.00 0.00 C ATOM 843 CD LYS A 57 0.475 4.222 -9.643 1.00 0.00 C ATOM 844 CE LYS A 57 0.365 5.702 -10.016 1.00 0.00 C ATOM 845 NZ LYS A 57 -0.505 5.875 -11.201 1.00 0.00 N ATOM 0 H LYS A 57 2.516 2.269 -5.104 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.075 2.360 -6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.518 2.735 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.123 1.981 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.068 4.187 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.534 4.828 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.237 3.744 -10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.468 3.719 -9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.039 6.266 -9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.356 6.105 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.569 6.885 -11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.103 5.353 -12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.455 5.509 -10.990 1.00 0.00 H new ATOM 859 N TYR A 58 0.010 -0.042 -6.223 1.00 0.00 N ATOM 860 CA TYR A 58 0.004 -1.488 -6.073 1.00 0.00 C ATOM 861 C TYR A 58 -0.546 -2.167 -7.328 1.00 0.00 C ATOM 862 O TYR A 58 -1.456 -1.647 -7.971 1.00 0.00 O ATOM 863 CB TYR A 58 -0.927 -1.786 -4.896 1.00 0.00 C ATOM 864 CG TYR A 58 -2.405 -1.873 -5.279 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.920 -3.052 -5.781 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.225 -0.774 -5.123 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.312 -3.134 -6.142 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.616 -0.856 -5.484 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.091 -2.032 -5.975 1.00 0.00 C ATOM 870 OH TYR A 58 -6.405 -2.110 -6.316 1.00 0.00 O ATOM 0 H TYR A 58 -0.911 0.394 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 58 1.015 -1.861 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.625 -2.727 -4.437 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.803 -1.009 -4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.279 -3.913 -5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.823 0.148 -4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.727 -4.050 -6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.268 -0.003 -5.368 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.889 -1.350 -5.930 1.00 0.00 H new ATOM 880 N LEU A 59 0.030 -3.319 -7.640 1.00 0.00 N ATOM 881 CA LEU A 59 -0.391 -4.075 -8.807 1.00 0.00 C ATOM 882 C LEU A 59 -1.678 -4.836 -8.479 1.00 0.00 C ATOM 883 O LEU A 59 -1.742 -5.552 -7.481 1.00 0.00 O ATOM 884 CB LEU A 59 0.745 -4.972 -9.302 1.00 0.00 C ATOM 885 CG LEU A 59 1.953 -4.254 -9.906 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.682 -5.152 -10.906 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.542 -2.918 -10.528 1.00 0.00 C ATOM 0 H LEU A 59 0.785 -3.747 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.619 -3.403 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.090 -5.581 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.342 -5.655 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 59 2.655 -4.032 -9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.536 -4.617 -11.320 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.029 -6.053 -10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.001 -5.427 -11.712 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.419 -2.428 -10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.810 -3.094 -11.316 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.103 -2.279 -9.761 1.00 0.00 H new ATOM 899 N ASP A 60 -2.670 -4.654 -9.338 1.00 0.00 N ATOM 900 CA ASP A 60 -3.951 -5.314 -9.153 1.00 0.00 C ATOM 901 C ASP A 60 -3.933 -6.664 -9.873 1.00 0.00 C ATOM 902 O ASP A 60 -2.902 -7.076 -10.402 1.00 0.00 O ATOM 903 CB ASP A 60 -5.091 -4.480 -9.740 1.00 0.00 C ATOM 904 CG ASP A 60 -4.714 -3.640 -10.962 1.00 0.00 C ATOM 905 OD1 ASP A 60 -3.732 -4.023 -11.633 1.00 0.00 O ATOM 906 OD2 ASP A 60 -5.417 -2.633 -11.197 1.00 0.00 O ATOM 0 H ASP A 60 -2.612 -4.059 -10.164 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.113 -5.442 -8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.906 -5.149 -10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.472 -3.816 -8.964 1.00 0.00 H new ATOM 911 N GLU A 61 -5.087 -7.315 -9.872 1.00 0.00 N ATOM 912 CA GLU A 61 -5.218 -8.609 -10.519 1.00 0.00 C ATOM 913 C GLU A 61 -4.787 -8.516 -11.984 1.00 0.00 C ATOM 914 O GLU A 61 -4.531 -9.534 -12.626 1.00 0.00 O ATOM 915 CB GLU A 61 -6.648 -9.140 -10.401 1.00 0.00 C ATOM 916 CG GLU A 61 -6.949 -9.591 -8.970 1.00 0.00 C ATOM 917 CD GLU A 61 -7.474 -11.028 -8.948 1.00 0.00 C ATOM 918 OE1 GLU A 61 -8.557 -11.245 -9.534 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.782 -11.876 -8.345 1.00 0.00 O ATOM 0 H GLU A 61 -5.940 -6.970 -9.433 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.561 -9.315 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.354 -8.364 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.787 -9.976 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.045 -9.521 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.685 -8.924 -8.522 1.00 0.00 H new ATOM 926 N GLU A 62 -4.719 -7.285 -12.471 1.00 0.00 N ATOM 927 CA GLU A 62 -4.324 -7.046 -13.848 1.00 0.00 C ATOM 928 C GLU A 62 -2.831 -6.718 -13.922 1.00 0.00 C ATOM 929 O GLU A 62 -2.248 -6.703 -15.006 1.00 0.00 O ATOM 930 CB GLU A 62 -5.162 -5.929 -14.473 1.00 0.00 C ATOM 931 CG GLU A 62 -4.325 -5.094 -15.445 1.00 0.00 C ATOM 932 CD GLU A 62 -3.991 -5.893 -16.706 1.00 0.00 C ATOM 933 OE1 GLU A 62 -4.823 -6.752 -17.071 1.00 0.00 O ATOM 934 OE2 GLU A 62 -2.911 -5.627 -17.277 1.00 0.00 O ATOM 0 H GLU A 62 -4.931 -6.443 -11.936 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.506 -7.955 -14.421 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.014 -6.360 -14.999 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.562 -5.287 -13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.870 -4.190 -15.717 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.404 -4.776 -14.957 1.00 0.00 H new ATOM 941 N ASN A 63 -2.254 -6.465 -12.757 1.00 0.00 N ATOM 942 CA ASN A 63 -0.841 -6.139 -12.676 1.00 0.00 C ATOM 943 C ASN A 63 -0.647 -4.651 -12.974 1.00 0.00 C ATOM 944 O ASN A 63 0.483 -4.172 -13.055 1.00 0.00 O ATOM 945 CB ASN A 63 -0.032 -6.936 -13.702 1.00 0.00 C ATOM 946 CG ASN A 63 1.418 -7.105 -13.245 1.00 0.00 C ATOM 947 OD1 ASN A 63 1.721 -7.828 -12.309 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.295 -6.401 -13.955 1.00 0.00 N ATOM 0 H ASN A 63 -2.740 -6.479 -11.860 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.495 -6.387 -11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.487 -7.915 -13.848 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.056 -6.426 -14.665 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.288 -6.447 -13.728 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.974 -5.815 -14.726 1.00 0.00 H new ATOM 955 N GLU A 64 -1.767 -3.961 -13.130 1.00 0.00 N ATOM 956 CA GLU A 64 -1.735 -2.537 -13.417 1.00 0.00 C ATOM 957 C GLU A 64 -1.544 -1.739 -12.126 1.00 0.00 C ATOM 958 O GLU A 64 -2.244 -1.968 -11.141 1.00 0.00 O ATOM 959 CB GLU A 64 -3.003 -2.097 -14.151 1.00 0.00 C ATOM 960 CG GLU A 64 -2.846 -2.259 -15.664 1.00 0.00 C ATOM 961 CD GLU A 64 -4.144 -1.904 -16.392 1.00 0.00 C ATOM 962 OE1 GLU A 64 -4.730 -0.861 -16.031 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.520 -2.684 -17.294 1.00 0.00 O ATOM 0 H GLU A 64 -2.703 -4.362 -13.063 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.887 -2.338 -14.073 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.851 -2.688 -13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.222 -1.056 -13.914 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.039 -1.619 -16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.564 -3.286 -15.896 1.00 0.00 H new ATOM 970 N GLU A 65 -0.593 -0.817 -12.172 1.00 0.00 N ATOM 971 CA GLU A 65 -0.302 0.016 -11.018 1.00 0.00 C ATOM 972 C GLU A 65 -1.548 0.798 -10.600 1.00 0.00 C ATOM 973 O GLU A 65 -2.107 1.553 -11.394 1.00 0.00 O ATOM 974 CB GLU A 65 0.867 0.960 -11.305 1.00 0.00 C ATOM 975 CG GLU A 65 2.208 0.249 -11.112 1.00 0.00 C ATOM 976 CD GLU A 65 3.365 1.250 -11.109 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.696 1.737 -12.211 1.00 0.00 O ATOM 978 OE2 GLU A 65 3.893 1.504 -10.005 1.00 0.00 O ATOM 0 H GLU A 65 -0.014 -0.629 -12.991 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.009 -0.631 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.794 1.335 -12.326 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.811 1.825 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.198 -0.304 -10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.355 -0.480 -11.909 1.00 0.00 H new ATOM 985 N VAL A 66 -1.947 0.591 -9.354 1.00 0.00 N ATOM 986 CA VAL A 66 -3.118 1.267 -8.820 1.00 0.00 C ATOM 987 C VAL A 66 -2.690 2.196 -7.682 1.00 0.00 C ATOM 988 O VAL A 66 -2.140 1.743 -6.680 1.00 0.00 O ATOM 989 CB VAL A 66 -4.166 0.238 -8.390 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.388 0.925 -7.776 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.570 -0.656 -9.564 1.00 0.00 C ATOM 0 H VAL A 66 -1.480 -0.035 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.585 1.885 -9.587 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.719 -0.397 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.118 0.172 -7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.082 1.499 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.836 1.595 -8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.316 -1.378 -9.232 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.989 -0.042 -10.361 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.693 -1.185 -9.937 1.00 0.00 H new ATOM 1001 N SER A 67 -2.958 3.479 -7.876 1.00 0.00 N ATOM 1002 CA SER A 67 -2.608 4.476 -6.878 1.00 0.00 C ATOM 1003 C SER A 67 -3.724 4.590 -5.838 1.00 0.00 C ATOM 1004 O SER A 67 -4.866 4.895 -6.179 1.00 0.00 O ATOM 1005 CB SER A 67 -2.346 5.836 -7.527 1.00 0.00 C ATOM 1006 OG SER A 67 -3.537 6.611 -7.641 1.00 0.00 O ATOM 0 H SER A 67 -3.413 3.851 -8.709 1.00 0.00 H new ATOM 0 HA SER A 67 -1.691 4.157 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.612 6.384 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.913 5.688 -8.516 1.00 0.00 H new ATOM 0 HG SER A 67 -4.315 6.044 -7.458 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.355 4.338 -4.591 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.311 4.409 -3.499 1.00 0.00 C ATOM 1014 C ILE A 68 -4.329 5.831 -2.934 1.00 0.00 C ATOM 1015 O ILE A 68 -3.278 6.406 -2.656 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.009 3.335 -2.452 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.029 1.939 -3.077 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.965 3.444 -1.262 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.644 0.873 -2.049 1.00 0.00 C ATOM 0 H ILE A 68 -2.407 4.084 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.317 4.196 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.001 3.503 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.023 1.727 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.338 1.904 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.728 2.669 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.858 4.424 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.991 3.316 -1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.666 -0.110 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.640 1.074 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.351 0.895 -1.220 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.535 6.357 -2.780 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.704 7.701 -2.254 1.00 0.00 C ATOM 1033 C ASN A 69 -6.514 7.638 -0.957 1.00 0.00 C ATOM 1034 O ASN A 69 -6.210 8.342 0.004 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.462 8.589 -3.242 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.496 9.456 -4.052 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.026 10.490 -3.607 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -5.227 8.978 -5.264 1.00 0.00 N ATOM 0 H ASN A 69 -6.405 5.877 -3.010 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.714 8.121 -2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.052 7.968 -3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.162 9.226 -2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.593 9.484 -5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.655 8.106 -5.575 1.00 0.00 H new ATOM 1045 N SER A 70 -7.531 6.788 -0.973 1.00 0.00 N ATOM 1046 CA SER A 70 -8.388 6.624 0.189 1.00 0.00 C ATOM 1047 C SER A 70 -8.366 5.166 0.653 1.00 0.00 C ATOM 1048 O SER A 70 -7.755 4.315 0.009 1.00 0.00 O ATOM 1049 CB SER A 70 -9.821 7.063 -0.117 1.00 0.00 C ATOM 1050 OG SER A 70 -9.861 8.275 -0.864 1.00 0.00 O ATOM 0 H SER A 70 -7.780 6.206 -1.772 1.00 0.00 H new ATOM 0 HA SER A 70 -8.006 7.259 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.329 6.277 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.367 7.195 0.817 1.00 0.00 H new ATOM 0 HG SER A 70 -10.793 8.520 -1.040 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.041 4.924 1.767 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.106 3.584 2.325 1.00 0.00 C ATOM 1058 C GLN A 71 -9.672 2.606 1.293 1.00 0.00 C ATOM 1059 O GLN A 71 -9.080 1.559 1.035 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.937 3.565 3.610 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.953 2.167 4.232 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.146 2.137 5.532 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.343 2.934 6.435 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.228 1.175 5.577 1.00 0.00 N ATOM 0 H GLN A 71 -9.547 5.633 2.298 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.094 3.268 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.527 4.280 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.957 3.882 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.981 1.865 4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.540 1.446 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.115 0.541 4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.638 1.072 6.402 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.810 2.983 0.729 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.462 2.153 -0.269 1.00 0.00 C ATOM 1075 C GLY A 72 -10.438 1.548 -1.232 1.00 0.00 C ATOM 1076 O GLY A 72 -10.454 0.344 -1.485 1.00 0.00 O ATOM 0 H GLY A 72 -11.297 3.853 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.019 1.356 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.184 2.749 -0.827 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.572 2.411 -1.743 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.544 1.977 -2.673 1.00 0.00 C ATOM 1082 C GLU A 73 -7.639 0.933 -2.015 1.00 0.00 C ATOM 1083 O GLU A 73 -7.230 -0.033 -2.657 1.00 0.00 O ATOM 1084 CB GLU A 73 -7.727 3.167 -3.182 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.413 3.831 -4.377 1.00 0.00 C ATOM 1086 CD GLU A 73 -8.314 5.356 -4.288 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -9.214 5.947 -3.653 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.340 5.895 -4.857 1.00 0.00 O ATOM 0 H GLU A 73 -9.561 3.409 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.031 1.517 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.600 3.895 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.730 2.832 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.953 3.486 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.461 3.532 -4.412 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.354 1.162 -0.741 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.506 0.254 0.011 1.00 0.00 C ATOM 1097 C TYR A 74 -7.254 -1.035 0.358 1.00 0.00 C ATOM 1098 O TYR A 74 -6.768 -2.132 0.089 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.147 0.986 1.306 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.118 0.254 2.170 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.066 -0.411 1.575 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.243 0.260 3.544 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.097 -1.100 2.388 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.274 -0.429 4.358 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.249 -1.074 3.740 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.334 -1.725 4.508 1.00 0.00 O ATOM 0 H TYR A 74 -7.696 1.964 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.626 -0.020 -0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.760 1.974 1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.055 1.137 1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.969 -0.415 0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.067 0.781 4.009 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.269 -1.625 1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.360 -0.433 5.435 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.240 -1.263 5.367 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.426 -0.859 0.951 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.247 -1.994 1.338 1.00 0.00 C ATOM 1118 C GLU A 75 -9.176 -3.088 0.271 1.00 0.00 C ATOM 1119 O GLU A 75 -8.669 -4.179 0.530 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.694 -1.564 1.587 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.806 -0.725 2.861 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.934 -1.238 3.758 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -11.802 -2.385 4.236 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -12.902 -0.470 3.947 1.00 0.00 O ATOM 0 H GLU A 75 -8.827 0.052 1.173 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.857 -2.399 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.058 -0.989 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.330 -2.446 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.862 -0.755 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.990 0.317 2.599 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.690 -2.759 -0.904 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.691 -3.701 -2.011 1.00 0.00 C ATOM 1133 C GLU A 76 -8.305 -4.328 -2.175 1.00 0.00 C ATOM 1134 O GLU A 76 -8.166 -5.550 -2.151 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.143 -3.024 -3.306 1.00 0.00 C ATOM 1136 CG GLU A 76 -9.309 -1.774 -3.592 1.00 0.00 C ATOM 1137 CD GLU A 76 -10.081 -0.789 -4.473 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -11.090 -0.249 -3.971 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -9.645 -0.600 -5.629 1.00 0.00 O ATOM 0 H GLU A 76 -10.109 -1.853 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.403 -4.495 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.053 -3.724 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.196 -2.753 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.037 -1.292 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.380 -2.058 -4.086 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.315 -3.463 -2.338 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.945 -3.917 -2.507 1.00 0.00 C ATOM 1148 C ALA A 77 -5.617 -4.947 -1.424 1.00 0.00 C ATOM 1149 O ALA A 77 -4.999 -5.973 -1.705 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.000 -2.714 -2.472 1.00 0.00 C ATOM 0 H ALA A 77 -7.434 -2.450 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.818 -4.403 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.972 -3.055 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.256 -2.026 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.097 -2.203 -1.514 1.00 0.00 H new ATOM 1156 N LEU A 78 -6.044 -4.637 -0.209 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.804 -5.523 0.918 1.00 0.00 C ATOM 1158 C LEU A 78 -6.528 -6.850 0.681 1.00 0.00 C ATOM 1159 O LEU A 78 -6.031 -7.909 1.062 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.189 -4.838 2.230 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.157 -3.866 2.807 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.765 -3.024 3.931 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.899 -4.608 3.263 1.00 0.00 C ATOM 0 H LEU A 78 -6.555 -3.784 0.020 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.741 -5.750 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.122 -4.296 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.389 -5.609 2.974 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.856 -3.179 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.011 -2.342 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.606 -2.450 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.112 -3.680 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.182 -3.894 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.163 -5.334 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.454 -5.126 2.413 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.691 -6.749 0.054 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.489 -7.928 -0.238 1.00 0.00 C ATOM 1177 C LYS A 79 -7.759 -8.790 -1.270 1.00 0.00 C ATOM 1178 O LYS A 79 -7.727 -10.013 -1.151 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.903 -7.526 -0.661 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.711 -7.021 0.536 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.432 -5.714 0.198 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.512 -5.400 1.235 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.569 -4.551 0.641 1.00 0.00 N ATOM 0 H LYS A 79 -8.100 -5.869 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.611 -8.538 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.851 -6.749 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.408 -8.380 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.439 -7.776 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.048 -6.865 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.712 -4.897 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.883 -5.789 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.948 -6.327 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.067 -4.892 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.294 -4.347 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.151 -3.659 0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.005 -5.050 -0.161 1.00 0.00 H new ATOM 1197 N MET A 80 -7.190 -8.117 -2.260 1.00 0.00 N ATOM 1198 CA MET A 80 -6.463 -8.806 -3.312 1.00 0.00 C ATOM 1199 C MET A 80 -5.168 -9.417 -2.774 1.00 0.00 C ATOM 1200 O MET A 80 -4.761 -10.495 -3.203 1.00 0.00 O ATOM 1201 CB MET A 80 -6.134 -7.820 -4.435 1.00 0.00 C ATOM 1202 CG MET A 80 -5.941 -8.550 -5.766 1.00 0.00 C ATOM 1203 SD MET A 80 -5.017 -7.523 -6.897 1.00 0.00 S ATOM 1204 CE MET A 80 -3.358 -8.060 -6.517 1.00 0.00 C ATOM 0 H MET A 80 -7.218 -7.102 -2.355 1.00 0.00 H new ATOM 0 HA MET A 80 -7.091 -9.611 -3.695 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.938 -7.090 -4.530 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.229 -7.267 -4.185 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.414 -9.490 -5.602 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.910 -8.799 -6.197 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.841 -8.324 -7.439 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.820 -7.254 -6.018 1.00 0.00 H new ATOM 0 HE3 MET A 80 -3.398 -8.930 -5.862 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.557 -8.702 -1.841 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.316 -9.161 -1.239 1.00 0.00 C ATOM 1216 C ALA A 81 -3.522 -10.563 -0.663 1.00 0.00 C ATOM 1217 O ALA A 81 -2.662 -11.430 -0.809 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.860 -8.156 -0.180 1.00 0.00 C ATOM 0 H ALA A 81 -4.898 -7.808 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.527 -9.225 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.929 -8.500 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.699 -7.184 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.626 -8.067 0.591 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.667 -10.742 -0.020 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.996 -12.023 0.579 1.00 0.00 C ATOM 1226 C VAL A 82 -4.927 -13.115 -0.491 1.00 0.00 C ATOM 1227 O VAL A 82 -4.382 -14.191 -0.251 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.362 -11.945 1.265 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.789 -13.315 1.795 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.354 -10.902 2.385 1.00 0.00 C ATOM 0 H VAL A 82 -5.378 -10.020 0.099 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.272 -12.279 1.353 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.093 -11.632 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.763 -13.231 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.854 -14.021 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.055 -13.670 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.336 -10.866 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.604 -11.172 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.116 -9.923 1.969 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.487 -12.799 -1.649 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.495 -13.739 -2.757 1.00 0.00 C ATOM 1242 C LYS A 83 -4.055 -14.110 -3.117 1.00 0.00 C ATOM 1243 O LYS A 83 -3.734 -15.288 -3.271 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.297 -13.176 -3.932 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.769 -12.998 -3.556 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.669 -13.127 -4.788 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.505 -11.862 -4.990 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.927 -12.124 -4.676 1.00 0.00 N ATOM 0 H LYS A 83 -5.938 -11.905 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.000 -14.661 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.877 -12.217 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.215 -13.847 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.052 -13.745 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.915 -12.021 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.058 -13.308 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.327 -13.988 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.127 -11.063 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.411 -11.518 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.480 -11.255 -4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.289 -12.871 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.013 -12.431 -3.686 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.227 -13.084 -3.240 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.828 -13.287 -3.578 1.00 0.00 C ATOM 1264 C GLN A 84 -1.169 -14.228 -2.568 1.00 0.00 C ATOM 1265 O GLN A 84 -0.730 -15.320 -2.927 1.00 0.00 O ATOM 1266 CB GLN A 84 -1.083 -11.953 -3.652 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.892 -10.915 -4.432 1.00 0.00 C ATOM 1268 CD GLN A 84 -1.075 -10.340 -5.591 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.594 -11.051 -6.458 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.946 -9.017 -5.558 1.00 0.00 N ATOM 0 H GLN A 84 -3.498 -12.109 -3.112 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.776 -13.750 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.888 -11.585 -2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.115 -12.099 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.803 -11.373 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.198 -10.110 -3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.374 -8.481 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.419 -8.538 -6.288 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.121 -13.771 -1.326 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.523 -14.559 -0.261 1.00 0.00 C ATOM 1281 C GLY A 85 -0.205 -13.687 0.955 1.00 0.00 C ATOM 1282 O GLY A 85 0.853 -13.828 1.565 1.00 0.00 O ATOM 0 H GLY A 85 -1.486 -12.865 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.203 -15.360 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.390 -15.032 -0.623 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.142 -12.804 1.270 1.00 0.00 N ATOM 1287 CA ASN A 86 -0.975 -11.909 2.402 1.00 0.00 C ATOM 1288 C ASN A 86 0.145 -10.912 2.099 1.00 0.00 C ATOM 1289 O ASN A 86 0.877 -10.502 2.998 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.590 -12.683 3.665 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.476 -13.917 3.843 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.299 -14.939 3.200 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.438 -13.766 4.749 1.00 0.00 N ATOM 0 H ASN A 86 -2.019 -12.690 0.761 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.922 -11.396 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.455 -12.987 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.684 -12.035 4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.083 -14.533 4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.531 -12.884 5.252 1.00 0.00 H new ATOM 1300 N GLN A 87 0.245 -10.552 0.827 1.00 0.00 N ATOM 1301 CA GLN A 87 1.264 -9.612 0.393 1.00 0.00 C ATOM 1302 C GLN A 87 0.761 -8.797 -0.800 1.00 0.00 C ATOM 1303 O GLN A 87 -0.122 -9.242 -1.532 1.00 0.00 O ATOM 1304 CB GLN A 87 2.568 -10.335 0.054 1.00 0.00 C ATOM 1305 CG GLN A 87 2.406 -11.199 -1.199 1.00 0.00 C ATOM 1306 CD GLN A 87 2.861 -10.443 -2.449 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.441 -9.372 -2.382 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.567 -11.059 -3.590 1.00 0.00 N ATOM 0 H GLN A 87 -0.363 -10.895 0.083 1.00 0.00 H new ATOM 0 HA GLN A 87 1.471 -8.926 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.362 -9.605 -0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.871 -10.960 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.988 -12.114 -1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.363 -11.495 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.079 -11.955 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.829 -10.636 -4.480 1.00 0.00 H new ATOM 1317 N LEU A 88 1.345 -7.619 -0.961 1.00 0.00 N ATOM 1318 CA LEU A 88 0.967 -6.739 -2.053 1.00 0.00 C ATOM 1319 C LEU A 88 2.212 -6.020 -2.577 1.00 0.00 C ATOM 1320 O LEU A 88 3.047 -5.566 -1.795 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.151 -5.791 -1.615 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.857 -5.024 -2.736 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.490 -5.986 -3.744 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.879 -4.038 -2.166 1.00 0.00 C ATOM 0 H LEU A 88 2.078 -7.253 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 88 0.558 -7.316 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.898 -6.369 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.266 -5.068 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.110 -4.440 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.985 -5.416 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.715 -6.613 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.221 -6.615 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.366 -3.506 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.627 -4.582 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.372 -3.322 -1.518 1.00 0.00 H new ATOM 1336 N GLN A 89 2.298 -5.938 -3.897 1.00 0.00 N ATOM 1337 CA GLN A 89 3.427 -5.282 -4.534 1.00 0.00 C ATOM 1338 C GLN A 89 3.107 -3.809 -4.794 1.00 0.00 C ATOM 1339 O GLN A 89 2.454 -3.477 -5.782 1.00 0.00 O ATOM 1340 CB GLN A 89 3.816 -5.997 -5.830 1.00 0.00 C ATOM 1341 CG GLN A 89 5.146 -6.737 -5.670 1.00 0.00 C ATOM 1342 CD GLN A 89 5.111 -8.087 -6.389 1.00 0.00 C ATOM 1343 OE1 GLN A 89 5.884 -8.358 -7.293 1.00 0.00 O ATOM 1344 NE2 GLN A 89 4.174 -8.916 -5.938 1.00 0.00 N ATOM 0 H GLN A 89 1.604 -6.315 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 89 4.281 -5.334 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.034 -6.703 -6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.894 -5.272 -6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.956 -6.128 -6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.356 -6.890 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.559 -8.626 -5.177 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.070 -9.842 -6.353 1.00 0.00 H new ATOM 1353 N MET A 90 3.582 -2.965 -3.891 1.00 0.00 N ATOM 1354 CA MET A 90 3.355 -1.534 -4.011 1.00 0.00 C ATOM 1355 C MET A 90 4.619 -0.816 -4.486 1.00 0.00 C ATOM 1356 O MET A 90 5.732 -1.262 -4.208 1.00 0.00 O ATOM 1357 CB MET A 90 2.926 -0.970 -2.655 1.00 0.00 C ATOM 1358 CG MET A 90 1.677 -1.684 -2.134 1.00 0.00 C ATOM 1359 SD MET A 90 1.550 -1.481 -0.365 1.00 0.00 S ATOM 1360 CE MET A 90 0.244 -0.267 -0.286 1.00 0.00 C ATOM 0 H MET A 90 4.123 -3.244 -3.073 1.00 0.00 H new ATOM 0 HA MET A 90 2.569 -1.370 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.739 -1.081 -1.937 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.727 0.098 -2.748 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.788 -1.280 -2.619 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.723 -2.744 -2.384 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.659 0.695 0.012 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.224 -0.172 -1.266 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.502 -0.582 0.444 1.00 0.00 H new ATOM 1370 N GLN A 91 4.406 0.283 -5.194 1.00 0.00 N ATOM 1371 CA GLN A 91 5.515 1.068 -5.710 1.00 0.00 C ATOM 1372 C GLN A 91 5.345 2.540 -5.331 1.00 0.00 C ATOM 1373 O GLN A 91 4.338 3.160 -5.669 1.00 0.00 O ATOM 1374 CB GLN A 91 5.645 0.902 -7.225 1.00 0.00 C ATOM 1375 CG GLN A 91 6.257 -0.455 -7.579 1.00 0.00 C ATOM 1376 CD GLN A 91 6.092 -0.759 -9.069 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.767 -0.206 -9.921 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.158 -1.668 -9.335 1.00 0.00 N ATOM 0 H GLN A 91 3.482 0.649 -5.423 1.00 0.00 H new ATOM 0 HA GLN A 91 6.436 0.702 -5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.663 0.994 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.266 1.701 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.315 -0.460 -7.318 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.780 -1.238 -6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.628 -2.093 -8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.972 -1.940 -10.300 1.00 0.00 H new ATOM 1387 N VAL A 92 6.346 3.059 -4.635 1.00 0.00 N ATOM 1388 CA VAL A 92 6.320 4.447 -4.207 1.00 0.00 C ATOM 1389 C VAL A 92 6.534 5.354 -5.420 1.00 0.00 C ATOM 1390 O VAL A 92 7.366 5.063 -6.279 1.00 0.00 O ATOM 1391 CB VAL A 92 7.354 4.673 -3.102 1.00 0.00 C ATOM 1392 CG1 VAL A 92 8.013 6.047 -3.241 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.723 4.506 -1.718 1.00 0.00 C ATOM 0 H VAL A 92 7.181 2.543 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 92 5.348 4.697 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 92 8.131 3.916 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.744 6.182 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.513 6.114 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.252 6.824 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.479 4.672 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.917 5.230 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.322 3.497 -1.620 1.00 0.00 H new ATOM 1403 N HIS A 93 5.769 6.435 -5.453 1.00 0.00 N ATOM 1404 CA HIS A 93 5.864 7.387 -6.547 1.00 0.00 C ATOM 1405 C HIS A 93 5.786 8.812 -5.995 1.00 0.00 C ATOM 1406 O HIS A 93 4.710 9.406 -5.948 1.00 0.00 O ATOM 1407 CB HIS A 93 4.799 7.103 -7.608 1.00 0.00 C ATOM 1408 CG HIS A 93 4.931 5.749 -8.263 1.00 0.00 C ATOM 1409 ND1 HIS A 93 5.842 5.490 -9.272 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.259 4.583 -8.043 1.00 0.00 C ATOM 1411 CE1 HIS A 93 5.714 4.222 -9.636 1.00 0.00 C ATOM 1412 NE2 HIS A 93 4.732 3.662 -8.873 1.00 0.00 N ATOM 0 H HIS A 93 5.080 6.673 -4.739 1.00 0.00 H new ATOM 0 HA HIS A 93 6.828 7.280 -7.045 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.814 7.178 -7.148 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.852 7.874 -8.377 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.474 4.434 -7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.287 3.720 -10.402 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.414 2.695 -8.931 1.00 0.00 H new ATOM 1420 N GLU A 94 6.942 9.320 -5.592 1.00 0.00 N ATOM 1421 CA GLU A 94 7.018 10.664 -5.046 1.00 0.00 C ATOM 1422 C GLU A 94 6.074 11.600 -5.804 1.00 0.00 C ATOM 1423 O GLU A 94 5.846 11.422 -6.999 1.00 0.00 O ATOM 1424 CB GLU A 94 8.455 11.189 -5.080 1.00 0.00 C ATOM 1425 CG GLU A 94 8.914 11.623 -3.687 1.00 0.00 C ATOM 1426 CD GLU A 94 8.572 13.092 -3.430 1.00 0.00 C ATOM 1427 OE1 GLU A 94 8.548 13.851 -4.422 1.00 0.00 O ATOM 1428 OE2 GLU A 94 8.343 13.423 -2.246 1.00 0.00 O ATOM 0 H GLU A 94 7.833 8.825 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 94 6.703 10.630 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.120 10.414 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.522 12.032 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.438 10.998 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.990 11.474 -3.592 1.00 0.00 H new