USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 669 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: C 77 ASN : amide:sc= -7.43! K(o=-21!,f=-6.7) USER MOD Set 1.2: C 80 ASN : amide:sc= -13.2! C(o=-21!,f=-7.2!) USER MOD Set 2.1: C 71 THR OG1 : rot -140:sc= 0.831 USER MOD Set 2.2: C 74 ASN : amide:sc= 0.966 X(o=1.8,f=1.9) USER MOD Set 3.1: C 40 SER OG : rot 174:sc= 0.432 USER MOD Set 3.2: C 76 SER OG : rot 69:sc= 0.742 USER MOD Set 4.1: C 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: C 39 THR OG1 : rot 180:sc= -0.303 USER MOD Set 5.1: C 9 GLN : amide:sc= -4.64! C(o=-5.3!,f=-9.4!) USER MOD Set 5.2: C 31 MET CE :methyl -151:sc= -0.689 (180deg=-1.55!) USER MOD Single : C 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 11 ASN : amide:sc= -0.0509 K(o=-0.051,f=-1.9!) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.8!) USER MOD Single : C 15 SER OG : rot -77:sc= 0.479 USER MOD Single : C 17 ASN : amide:sc= 0.31 K(o=0.31,f=-8.7!) USER MOD Single : C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 21 ASN : amide:sc= 0.551 K(o=0.55,f=-2) USER MOD Single : C 22 LYS NZ :NH3+ -147:sc= 0.289 (180deg=-2.04) USER MOD Single : C 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0342) USER MOD Single : C 26 LYS NZ :NH3+ -138:sc= 0.0172 (180deg=-0.0772) USER MOD Single : C 30 SER OG : rot -14:sc= 0.916 USER MOD Single : C 32 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : C 34 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.44) USER MOD Single : C 35 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.013) USER MOD Single : C 37 LYS NZ :NH3+ 162:sc= -0.0685 (180deg=-0.425) USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 42 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.9) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot -75:sc= 0.495 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.425) USER MOD Single : C 53 ASN : amide:sc= -4.34! K(o=-4.3!,f=-1.5) USER MOD Single : C 59 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.3!) USER MOD Single : C 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.0061) USER MOD Single : C 69 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0168) USER MOD Single : C 70 SER OG : rot 88:sc= 0.0682 USER MOD Single : C 81 LYS NZ :NH3+ -154:sc= 1.28 (180deg=1.11) USER MOD Single : C 83 ASN : amide:sc= -6.24! C(o=-6.2!,f=-2.8!) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ 163:sc= -0.0425 (180deg=-0.287) USER MOD Single : C 93 GLN : amide:sc= 1.12 K(o=1.1,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -11.388 -3.532 -0.720 1.00 0.00 N ATOM 126 CA GLN C 9 -10.533 -3.518 0.468 1.00 0.00 C ATOM 127 C GLN C 9 -10.546 -4.862 1.202 1.00 0.00 C ATOM 128 O GLN C 9 -10.121 -4.955 2.357 1.00 0.00 O ATOM 129 CB GLN C 9 -10.940 -2.398 1.430 1.00 0.00 C ATOM 130 CG GLN C 9 -10.898 -0.997 0.830 1.00 0.00 C ATOM 131 CD GLN C 9 -9.781 -0.806 -0.180 1.00 0.00 C ATOM 132 OE1 GLN C 9 -8.662 -0.464 0.172 1.00 0.00 O ATOM 133 NE2 GLN C 9 -10.086 -0.993 -1.453 1.00 0.00 N ATOM 0 HA GLN C 9 -9.517 -3.334 0.118 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.950 -2.595 1.789 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.282 -2.427 2.299 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.853 -0.788 0.348 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.780 -0.269 1.633 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -11.030 -1.279 -1.715 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -9.378 -0.852 -2.173 1.00 0.00 H new ATOM 142 N MET C 10 -11.031 -5.900 0.533 1.00 0.00 N ATOM 143 CA MET C 10 -11.010 -7.252 1.085 1.00 0.00 C ATOM 144 C MET C 10 -9.716 -7.968 0.684 1.00 0.00 C ATOM 145 O MET C 10 -8.661 -7.336 0.605 1.00 0.00 O ATOM 146 CB MET C 10 -12.242 -8.040 0.619 1.00 0.00 C ATOM 147 CG MET C 10 -13.519 -7.668 1.353 1.00 0.00 C ATOM 148 SD MET C 10 -13.463 -8.092 3.106 1.00 0.00 S ATOM 149 CE MET C 10 -15.083 -7.541 3.639 1.00 0.00 C ATOM 0 H MET C 10 -11.446 -5.833 -0.396 1.00 0.00 H new ATOM 0 HA MET C 10 -11.042 -7.189 2.173 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.386 -7.874 -0.449 1.00 0.00 H new ATOM 0 HB3 MET C 10 -12.053 -9.105 0.754 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.695 -6.597 1.248 1.00 0.00 H new ATOM 0 HG3 MET C 10 -14.363 -8.177 0.887 1.00 0.00 H new ATOM 0 HE1 MET C 10 -15.201 -7.736 4.705 1.00 0.00 H new ATOM 0 HE2 MET C 10 -15.183 -6.472 3.452 1.00 0.00 H new ATOM 0 HE3 MET C 10 -15.851 -8.080 3.085 1.00 0.00 H new ATOM 159 N ASN C 11 -9.798 -9.275 0.418 1.00 0.00 N ATOM 160 CA ASN C 11 -8.624 -10.094 0.089 1.00 0.00 C ATOM 161 C ASN C 11 -7.857 -9.555 -1.114 1.00 0.00 C ATOM 162 O ASN C 11 -6.723 -9.966 -1.356 1.00 0.00 O ATOM 163 CB ASN C 11 -9.035 -11.546 -0.174 1.00 0.00 C ATOM 164 CG ASN C 11 -9.490 -12.268 1.081 1.00 0.00 C ATOM 165 OD1 ASN C 11 -10.038 -11.663 2.005 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.260 -13.571 1.126 1.00 0.00 N ATOM 0 H ASN C 11 -10.676 -9.795 0.424 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.961 -10.051 0.953 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.840 -11.563 -0.909 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -8.193 -12.083 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.539 -14.110 1.946 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -8.804 -14.036 0.341 1.00 0.00 H new ATOM 173 N SER C 12 -8.473 -8.645 -1.859 1.00 0.00 N ATOM 174 CA SER C 12 -7.809 -7.970 -2.962 1.00 0.00 C ATOM 175 C SER C 12 -6.510 -7.318 -2.485 1.00 0.00 C ATOM 176 O SER C 12 -5.500 -7.349 -3.186 1.00 0.00 O ATOM 177 CB SER C 12 -8.744 -6.921 -3.575 1.00 0.00 C ATOM 178 OG SER C 12 -8.125 -6.230 -4.650 1.00 0.00 O ATOM 0 H SER C 12 -9.441 -8.357 -1.715 1.00 0.00 H new ATOM 0 HA SER C 12 -7.561 -8.706 -3.726 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.653 -7.407 -3.930 1.00 0.00 H new ATOM 0 HB3 SER C 12 -9.043 -6.207 -2.808 1.00 0.00 H new ATOM 0 HG SER C 12 -8.750 -5.570 -5.018 1.00 0.00 H new ATOM 184 N ILE C 13 -6.530 -6.735 -1.286 1.00 0.00 N ATOM 185 CA ILE C 13 -5.323 -6.138 -0.731 1.00 0.00 C ATOM 186 C ILE C 13 -4.548 -7.153 0.103 1.00 0.00 C ATOM 187 O ILE C 13 -3.345 -7.020 0.282 1.00 0.00 O ATOM 188 CB ILE C 13 -5.598 -4.896 0.148 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.254 -5.293 1.467 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.466 -3.886 -0.586 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.115 -4.235 2.531 1.00 0.00 C ATOM 0 H ILE C 13 -7.356 -6.665 -0.692 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.738 -5.818 -1.593 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.637 -4.430 0.366 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -7.312 -5.492 1.296 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.808 -6.221 1.824 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.643 -3.023 0.056 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -5.959 -3.563 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -7.419 -4.346 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -6.601 -4.573 3.446 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.058 -4.053 2.727 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.585 -3.313 2.190 1.00 0.00 H new ATOM 203 N ASN C 14 -5.238 -8.159 0.627 1.00 0.00 N ATOM 204 CA ASN C 14 -4.597 -9.159 1.484 1.00 0.00 C ATOM 205 C ASN C 14 -3.578 -9.956 0.702 1.00 0.00 C ATOM 206 O ASN C 14 -2.478 -10.214 1.184 1.00 0.00 O ATOM 207 CB ASN C 14 -5.601 -10.135 2.070 1.00 0.00 C ATOM 208 CG ASN C 14 -6.624 -9.492 2.988 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.010 -8.339 2.806 1.00 0.00 O ATOM 210 ND2 ASN C 14 -7.069 -10.238 3.987 1.00 0.00 N ATOM 0 H ASN C 14 -6.236 -8.307 0.477 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.117 -8.608 2.293 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -6.124 -10.636 1.255 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -5.063 -10.904 2.624 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.756 -9.860 4.639 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -6.724 -11.191 4.105 1.00 0.00 H new ATOM 217 N SER C 15 -3.954 -10.364 -0.502 1.00 0.00 N ATOM 218 CA SER C 15 -3.025 -11.054 -1.382 1.00 0.00 C ATOM 219 C SER C 15 -1.801 -10.180 -1.623 1.00 0.00 C ATOM 220 O SER C 15 -0.676 -10.667 -1.703 1.00 0.00 O ATOM 221 CB SER C 15 -3.712 -11.412 -2.703 1.00 0.00 C ATOM 222 OG SER C 15 -4.488 -10.323 -3.179 1.00 0.00 O ATOM 0 H SER C 15 -4.888 -10.230 -0.888 1.00 0.00 H new ATOM 0 HA SER C 15 -2.702 -11.981 -0.909 1.00 0.00 H new ATOM 0 HB2 SER C 15 -2.962 -11.682 -3.446 1.00 0.00 H new ATOM 0 HB3 SER C 15 -4.350 -12.285 -2.562 1.00 0.00 H new ATOM 0 HG SER C 15 -5.324 -10.270 -2.670 1.00 0.00 H new ATOM 228 N VAL C 16 -2.035 -8.876 -1.702 1.00 0.00 N ATOM 229 CA VAL C 16 -0.959 -7.909 -1.815 1.00 0.00 C ATOM 230 C VAL C 16 -0.154 -7.857 -0.519 1.00 0.00 C ATOM 231 O VAL C 16 1.067 -7.711 -0.547 1.00 0.00 O ATOM 232 CB VAL C 16 -1.497 -6.499 -2.138 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.356 -5.508 -2.287 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.341 -6.527 -3.398 1.00 0.00 C ATOM 0 H VAL C 16 -2.969 -8.465 -1.689 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.316 -8.230 -2.635 1.00 0.00 H new ATOM 0 HB VAL C 16 -2.125 -6.176 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.759 -4.521 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.211 -5.463 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.300 -5.828 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.712 -5.524 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.734 -6.874 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.184 -7.203 -3.256 1.00 0.00 H new ATOM 244 N ASN C 17 -0.835 -8.014 0.617 1.00 0.00 N ATOM 245 CA ASN C 17 -0.162 -7.966 1.914 1.00 0.00 C ATOM 246 C ASN C 17 0.850 -9.097 2.021 1.00 0.00 C ATOM 247 O ASN C 17 1.969 -8.902 2.495 1.00 0.00 O ATOM 248 CB ASN C 17 -1.168 -8.063 3.065 1.00 0.00 C ATOM 249 CG ASN C 17 -1.708 -6.713 3.498 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.152 -6.068 4.383 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.795 -6.273 2.885 1.00 0.00 N ATOM 0 H ASN C 17 -1.841 -8.174 0.665 1.00 0.00 H new ATOM 0 HA ASN C 17 0.353 -7.008 1.989 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.999 -8.700 2.761 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.691 -8.547 3.917 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.197 -5.372 3.143 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.231 -6.835 2.154 1.00 0.00 H new ATOM 258 N ASP C 18 0.454 -10.273 1.546 1.00 0.00 N ATOM 259 CA ASP C 18 1.326 -11.445 1.556 1.00 0.00 C ATOM 260 C ASP C 18 2.451 -11.309 0.535 1.00 0.00 C ATOM 261 O ASP C 18 3.480 -11.975 0.640 1.00 0.00 O ATOM 262 CB ASP C 18 0.526 -12.718 1.269 1.00 0.00 C ATOM 263 CG ASP C 18 -0.268 -13.198 2.465 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.474 -12.881 2.559 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.307 -13.912 3.314 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.470 -10.441 1.147 1.00 0.00 H new ATOM 0 HA ASP C 18 1.766 -11.514 2.551 1.00 0.00 H new ATOM 0 HB2 ASP C 18 -0.155 -12.533 0.438 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.209 -13.506 0.953 1.00 0.00 H new ATOM 270 N LYS C 19 2.257 -10.443 -0.450 1.00 0.00 N ATOM 271 CA LYS C 19 3.245 -10.254 -1.504 1.00 0.00 C ATOM 272 C LYS C 19 4.251 -9.188 -1.110 1.00 0.00 C ATOM 273 O LYS C 19 5.428 -9.268 -1.452 1.00 0.00 O ATOM 274 CB LYS C 19 2.565 -9.860 -2.819 1.00 0.00 C ATOM 275 CG LYS C 19 1.805 -10.993 -3.495 1.00 0.00 C ATOM 276 CD LYS C 19 2.689 -11.811 -4.432 1.00 0.00 C ATOM 277 CE LYS C 19 3.784 -12.568 -3.694 1.00 0.00 C ATOM 278 NZ LYS C 19 4.572 -13.440 -4.604 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.425 -9.860 -0.542 1.00 0.00 H new ATOM 0 HA LYS C 19 3.768 -11.200 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS C 19 1.874 -9.039 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.322 -9.484 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS C 19 1.384 -11.649 -2.733 1.00 0.00 H new ATOM 0 HG3 LYS C 19 0.968 -10.580 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS C 19 2.070 -12.520 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.144 -11.147 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS C 19 4.451 -11.857 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS C 19 3.337 -13.176 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 5.306 -13.936 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 3.941 -14.136 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 5.021 -12.858 -5.340 1.00 0.00 H new ATOM 292 N LEU C 20 3.771 -8.183 -0.401 1.00 0.00 N ATOM 293 CA LEU C 20 4.619 -7.106 0.072 1.00 0.00 C ATOM 294 C LEU C 20 5.441 -7.564 1.268 1.00 0.00 C ATOM 295 O LEU C 20 6.578 -7.137 1.450 1.00 0.00 O ATOM 296 CB LEU C 20 3.761 -5.901 0.440 1.00 0.00 C ATOM 297 CG LEU C 20 2.983 -5.284 -0.724 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.125 -4.140 -0.227 1.00 0.00 C ATOM 299 CD2 LEU C 20 3.931 -4.810 -1.816 1.00 0.00 C ATOM 0 H LEU C 20 2.790 -8.091 -0.139 1.00 0.00 H new ATOM 0 HA LEU C 20 5.308 -6.819 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.053 -6.200 1.213 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.403 -5.135 0.875 1.00 0.00 H new ATOM 0 HG LEU C 20 2.333 -6.048 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.575 -3.708 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.421 -4.510 0.518 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.761 -3.377 0.223 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.356 -4.375 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.608 -4.059 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.509 -5.656 -2.189 1.00 0.00 H new ATOM 311 N ASN C 21 4.865 -8.444 2.074 1.00 0.00 N ATOM 312 CA ASN C 21 5.589 -9.043 3.188 1.00 0.00 C ATOM 313 C ASN C 21 6.476 -10.175 2.680 1.00 0.00 C ATOM 314 O ASN C 21 6.340 -11.330 3.083 1.00 0.00 O ATOM 315 CB ASN C 21 4.618 -9.538 4.267 1.00 0.00 C ATOM 316 CG ASN C 21 4.153 -8.418 5.190 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.789 -8.140 6.205 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.045 -7.769 4.856 1.00 0.00 N ATOM 0 H ASN C 21 3.900 -8.759 1.978 1.00 0.00 H new ATOM 0 HA ASN C 21 6.225 -8.285 3.645 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.751 -9.995 3.790 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.102 -10.315 4.859 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.698 -7.015 5.448 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.541 -8.024 4.007 1.00 0.00 H new ATOM 325 N LYS C 22 7.392 -9.815 1.789 1.00 0.00 N ATOM 326 CA LYS C 22 8.229 -10.781 1.088 1.00 0.00 C ATOM 327 C LYS C 22 9.575 -10.998 1.787 1.00 0.00 C ATOM 328 O LYS C 22 10.118 -12.104 1.774 1.00 0.00 O ATOM 329 CB LYS C 22 8.423 -10.327 -0.370 1.00 0.00 C ATOM 330 CG LYS C 22 8.813 -8.857 -0.532 1.00 0.00 C ATOM 331 CD LYS C 22 10.320 -8.669 -0.554 1.00 0.00 C ATOM 332 CE LYS C 22 10.713 -7.200 -0.587 1.00 0.00 C ATOM 333 NZ LYS C 22 12.140 -7.038 -0.955 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.575 -8.845 1.532 1.00 0.00 H new ATOM 0 HA LYS C 22 7.720 -11.745 1.100 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.193 -10.946 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.499 -10.507 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.385 -8.468 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.387 -8.276 0.286 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.757 -9.141 0.326 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.735 -9.175 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.087 -6.669 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.532 -6.750 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 12.533 -6.208 -0.466 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 12.669 -7.888 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 12.220 -6.904 -1.983 1.00 0.00 H new ATOM 347 N GLY C 23 10.114 -9.947 2.387 1.00 0.00 N ATOM 348 CA GLY C 23 11.355 -10.074 3.118 1.00 0.00 C ATOM 349 C GLY C 23 11.942 -8.728 3.444 1.00 0.00 C ATOM 350 O GLY C 23 11.584 -8.115 4.446 1.00 0.00 O ATOM 0 H GLY C 23 9.713 -9.009 2.380 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.181 -10.629 4.040 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.068 -10.650 2.529 1.00 0.00 H new ATOM 354 N LYS C 24 12.824 -8.258 2.588 1.00 0.00 N ATOM 355 CA LYS C 24 13.410 -6.937 2.746 1.00 0.00 C ATOM 356 C LYS C 24 12.383 -5.869 2.412 1.00 0.00 C ATOM 357 O LYS C 24 12.236 -5.481 1.257 1.00 0.00 O ATOM 358 CB LYS C 24 14.620 -6.790 1.827 1.00 0.00 C ATOM 359 CG LYS C 24 15.936 -7.245 2.431 1.00 0.00 C ATOM 360 CD LYS C 24 16.529 -6.196 3.357 1.00 0.00 C ATOM 361 CE LYS C 24 16.920 -4.935 2.601 1.00 0.00 C ATOM 362 NZ LYS C 24 17.687 -3.994 3.456 1.00 0.00 N1+ ATOM 0 H LYS C 24 13.154 -8.771 1.771 1.00 0.00 H new ATOM 0 HA LYS C 24 13.729 -6.816 3.781 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.438 -7.360 0.916 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.712 -5.744 1.536 1.00 0.00 H new ATOM 0 HG2 LYS C 24 15.780 -8.171 2.984 1.00 0.00 H new ATOM 0 HG3 LYS C 24 16.644 -7.466 1.633 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.806 -5.945 4.133 1.00 0.00 H new ATOM 0 HD3 LYS C 24 17.406 -6.607 3.858 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.518 -5.204 1.730 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.022 -4.440 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 17.891 -3.126 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.127 -3.757 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.581 -4.439 3.747 1.00 0.00 H new ATOM 376 N GLY C 25 11.663 -5.410 3.414 1.00 0.00 N ATOM 377 CA GLY C 25 10.670 -4.392 3.180 1.00 0.00 C ATOM 378 C GLY C 25 9.291 -4.955 3.034 1.00 0.00 C ATOM 379 O GLY C 25 9.063 -5.860 2.227 1.00 0.00 O ATOM 0 H GLY C 25 11.746 -5.721 4.382 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.682 -3.681 4.006 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.929 -3.837 2.278 1.00 0.00 H new ATOM 383 N LYS C 26 8.373 -4.451 3.834 1.00 0.00 N ATOM 384 CA LYS C 26 7.016 -4.952 3.811 1.00 0.00 C ATOM 385 C LYS C 26 6.002 -3.903 4.237 1.00 0.00 C ATOM 386 O LYS C 26 6.332 -2.958 4.955 1.00 0.00 O ATOM 387 CB LYS C 26 6.959 -6.173 4.701 1.00 0.00 C ATOM 388 CG LYS C 26 7.731 -5.989 5.989 1.00 0.00 C ATOM 389 CD LYS C 26 8.100 -7.323 6.605 1.00 0.00 C ATOM 390 CE LYS C 26 8.893 -8.176 5.631 1.00 0.00 C ATOM 391 NZ LYS C 26 9.496 -9.359 6.298 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.541 -3.700 4.503 1.00 0.00 H new ATOM 0 HA LYS C 26 6.747 -5.217 2.788 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.919 -6.400 4.934 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.359 -7.031 4.161 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.636 -5.413 5.794 1.00 0.00 H new ATOM 0 HG3 LYS C 26 7.133 -5.413 6.695 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.686 -7.159 7.510 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.195 -7.852 6.903 1.00 0.00 H new ATOM 0 HE2 LYS C 26 8.240 -8.507 4.823 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.680 -7.574 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.467 -9.495 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.512 -9.207 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 8.931 -10.205 6.082 1.00 0.00 H new ATOM 405 N LEU C 27 4.770 -4.082 3.783 1.00 0.00 N ATOM 406 CA LEU C 27 3.680 -3.175 4.105 1.00 0.00 C ATOM 407 C LEU C 27 2.478 -3.975 4.592 1.00 0.00 C ATOM 408 O LEU C 27 2.074 -4.943 3.948 1.00 0.00 O ATOM 409 CB LEU C 27 3.249 -2.352 2.877 1.00 0.00 C ATOM 410 CG LEU C 27 4.329 -1.506 2.193 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.206 -2.355 1.279 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.688 -0.372 1.407 1.00 0.00 C ATOM 0 H LEU C 27 4.499 -4.860 3.181 1.00 0.00 H new ATOM 0 HA LEU C 27 4.033 -2.495 4.880 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.837 -3.038 2.137 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.440 -1.688 3.181 1.00 0.00 H new ATOM 0 HG LEU C 27 4.967 -1.085 2.970 1.00 0.00 H new ATOM 0 HD11 LEU C 27 5.961 -1.724 0.810 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.696 -3.133 1.865 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.589 -2.816 0.508 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.465 0.222 0.926 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.024 -0.785 0.647 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.115 0.261 2.084 1.00 0.00 H new ATOM 424 N SER C 28 1.922 -3.589 5.726 1.00 0.00 N ATOM 425 CA SER C 28 0.697 -4.201 6.218 1.00 0.00 C ATOM 426 C SER C 28 -0.467 -3.215 6.063 1.00 0.00 C ATOM 427 O SER C 28 -0.642 -2.316 6.886 1.00 0.00 O ATOM 428 CB SER C 28 0.870 -4.600 7.683 1.00 0.00 C ATOM 429 OG SER C 28 2.060 -5.355 7.865 1.00 0.00 O ATOM 0 H SER C 28 2.298 -2.854 6.325 1.00 0.00 H new ATOM 0 HA SER C 28 0.478 -5.097 5.638 1.00 0.00 H new ATOM 0 HB2 SER C 28 0.902 -3.706 8.306 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.010 -5.185 8.009 1.00 0.00 H new ATOM 0 HG SER C 28 2.152 -5.598 8.810 1.00 0.00 H new ATOM 435 N LEU C 29 -1.255 -3.390 5.008 1.00 0.00 N ATOM 436 CA LEU C 29 -2.290 -2.428 4.644 1.00 0.00 C ATOM 437 C LEU C 29 -3.628 -2.795 5.242 1.00 0.00 C ATOM 438 O LEU C 29 -4.033 -3.959 5.217 1.00 0.00 O ATOM 439 CB LEU C 29 -2.451 -2.344 3.122 1.00 0.00 C ATOM 440 CG LEU C 29 -1.172 -2.159 2.301 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.204 -1.207 2.977 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.505 -3.491 2.008 1.00 0.00 C ATOM 0 H LEU C 29 -1.196 -4.196 4.385 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.970 -1.464 5.040 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.944 -3.255 2.782 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.122 -1.515 2.897 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.464 -1.713 1.350 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.691 -1.102 2.364 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -0.677 -0.233 3.099 1.00 0.00 H new ATOM 0 HD13 LEU C 29 0.071 -1.601 3.955 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.400 -3.324 1.424 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -0.246 -3.982 2.946 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -1.190 -4.124 1.444 1.00 0.00 H new ATOM 454 N SER C 30 -4.317 -1.797 5.778 1.00 0.00 N ATOM 455 CA SER C 30 -5.678 -1.985 6.220 1.00 0.00 C ATOM 456 C SER C 30 -6.438 -0.664 6.167 1.00 0.00 C ATOM 457 O SER C 30 -5.954 0.365 6.647 1.00 0.00 O ATOM 458 CB SER C 30 -5.722 -2.577 7.635 1.00 0.00 C ATOM 459 OG SER C 30 -5.054 -3.829 7.689 1.00 0.00 O ATOM 0 H SER C 30 -3.951 -0.855 5.914 1.00 0.00 H new ATOM 0 HA SER C 30 -6.160 -2.693 5.546 1.00 0.00 H new ATOM 0 HB2 SER C 30 -5.258 -1.884 8.337 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.759 -2.701 7.948 1.00 0.00 H new ATOM 0 HG SER C 30 -4.905 -4.160 6.779 1.00 0.00 H new ATOM 465 N MET C 31 -7.616 -0.695 5.560 1.00 0.00 N ATOM 466 CA MET C 31 -8.429 0.495 5.395 1.00 0.00 C ATOM 467 C MET C 31 -9.574 0.483 6.391 1.00 0.00 C ATOM 468 O MET C 31 -10.198 -0.555 6.614 1.00 0.00 O ATOM 469 CB MET C 31 -8.990 0.568 3.970 1.00 0.00 C ATOM 470 CG MET C 31 -7.930 0.587 2.879 1.00 0.00 C ATOM 471 SD MET C 31 -7.009 -0.964 2.747 1.00 0.00 S ATOM 472 CE MET C 31 -5.838 -0.565 1.450 1.00 0.00 C ATOM 0 H MET C 31 -8.031 -1.542 5.171 1.00 0.00 H new ATOM 0 HA MET C 31 -7.802 1.369 5.573 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.647 -0.286 3.807 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.604 1.464 3.879 1.00 0.00 H new ATOM 0 HG2 MET C 31 -8.407 0.800 1.923 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.231 1.400 3.075 1.00 0.00 H new ATOM 0 HE1 MET C 31 -5.574 -1.472 0.907 1.00 0.00 H new ATOM 0 HE2 MET C 31 -6.287 0.152 0.762 1.00 0.00 H new ATOM 0 HE3 MET C 31 -4.940 -0.132 1.891 1.00 0.00 H new ATOM 482 N ASN C 32 -9.844 1.625 6.995 1.00 0.00 N ATOM 483 CA ASN C 32 -10.947 1.736 7.935 1.00 0.00 C ATOM 484 C ASN C 32 -11.728 3.015 7.682 1.00 0.00 C ATOM 485 O ASN C 32 -11.391 4.073 8.214 1.00 0.00 O ATOM 486 CB ASN C 32 -10.442 1.711 9.381 1.00 0.00 C ATOM 487 CG ASN C 32 -11.583 1.719 10.386 1.00 0.00 C ATOM 488 OD1 ASN C 32 -12.664 1.192 10.119 1.00 0.00 O ATOM 489 ND2 ASN C 32 -11.354 2.312 11.546 1.00 0.00 N ATOM 0 H ASN C 32 -9.318 2.487 6.853 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.604 0.879 7.785 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.830 0.822 9.535 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -9.800 2.574 9.555 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -12.086 2.344 12.256 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.446 2.738 11.731 1.00 0.00 H new ATOM 496 N GLY C 33 -12.753 2.909 6.845 1.00 0.00 N ATOM 497 CA GLY C 33 -13.626 4.033 6.566 1.00 0.00 C ATOM 498 C GLY C 33 -12.907 5.195 5.900 1.00 0.00 C ATOM 499 O GLY C 33 -12.737 5.209 4.680 1.00 0.00 O ATOM 0 H GLY C 33 -12.997 2.052 6.349 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.441 3.701 5.923 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.075 4.377 7.498 1.00 0.00 H new ATOM 503 N ASN C 34 -12.468 6.158 6.700 1.00 0.00 N ATOM 504 CA ASN C 34 -11.833 7.362 6.178 1.00 0.00 C ATOM 505 C ASN C 34 -10.342 7.355 6.461 1.00 0.00 C ATOM 506 O ASN C 34 -9.704 8.406 6.487 1.00 0.00 O ATOM 507 CB ASN C 34 -12.442 8.614 6.815 1.00 0.00 C ATOM 508 CG ASN C 34 -12.238 8.665 8.324 1.00 0.00 C ATOM 509 OD1 ASN C 34 -13.152 8.377 9.096 1.00 0.00 O ATOM 510 ND2 ASN C 34 -11.017 8.960 8.751 1.00 0.00 N ATOM 0 H ASN C 34 -12.540 6.129 7.717 1.00 0.00 H new ATOM 0 HA ASN C 34 -12.000 7.376 5.101 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.997 9.500 6.362 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.509 8.646 6.596 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.810 8.953 9.750 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.285 9.194 8.080 1.00 0.00 H new ATOM 517 N GLN C 35 -9.779 6.188 6.672 1.00 0.00 N ATOM 518 CA GLN C 35 -8.421 6.103 7.148 1.00 0.00 C ATOM 519 C GLN C 35 -7.637 5.000 6.464 1.00 0.00 C ATOM 520 O GLN C 35 -8.126 3.886 6.271 1.00 0.00 O ATOM 521 CB GLN C 35 -8.402 5.873 8.655 1.00 0.00 C ATOM 522 CG GLN C 35 -7.001 5.708 9.210 1.00 0.00 C ATOM 523 CD GLN C 35 -6.999 5.363 10.685 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.959 6.245 11.544 1.00 0.00 O ATOM 525 NE2 GLN C 35 -7.048 4.078 10.990 1.00 0.00 N ATOM 0 H GLN C 35 -10.238 5.290 6.522 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.943 7.053 6.908 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.887 6.713 9.152 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.987 4.983 8.889 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.484 4.924 8.656 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.441 6.630 9.055 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -7.080 3.379 10.248 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -7.054 3.786 11.967 1.00 0.00 H new ATOM 534 N LEU C 36 -6.413 5.342 6.118 1.00 0.00 N ATOM 535 CA LEU C 36 -5.437 4.396 5.633 1.00 0.00 C ATOM 536 C LEU C 36 -4.336 4.322 6.678 1.00 0.00 C ATOM 537 O LEU C 36 -3.862 5.354 7.151 1.00 0.00 O ATOM 538 CB LEU C 36 -4.885 4.887 4.286 1.00 0.00 C ATOM 539 CG LEU C 36 -4.309 3.825 3.335 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.127 3.093 3.948 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.385 2.841 2.930 1.00 0.00 C ATOM 0 H LEU C 36 -6.066 6.300 6.168 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.871 3.409 5.476 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.685 5.410 3.763 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.104 5.620 4.488 1.00 0.00 H new ATOM 0 HG LEU C 36 -3.947 4.344 2.448 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.752 2.352 3.242 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.337 3.807 4.179 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.443 2.594 4.864 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.962 2.096 2.257 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.778 2.346 3.818 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.191 3.371 2.423 1.00 0.00 H new ATOM 553 N LYS C 37 -3.980 3.122 7.086 1.00 0.00 N ATOM 554 CA LYS C 37 -2.897 2.936 8.034 1.00 0.00 C ATOM 555 C LYS C 37 -2.131 1.677 7.646 1.00 0.00 C ATOM 556 O LYS C 37 -2.728 0.686 7.211 1.00 0.00 O ATOM 557 CB LYS C 37 -3.433 2.812 9.466 1.00 0.00 C ATOM 558 CG LYS C 37 -4.279 1.571 9.704 1.00 0.00 C ATOM 559 CD LYS C 37 -4.674 1.440 11.164 1.00 0.00 C ATOM 560 CE LYS C 37 -5.337 0.102 11.448 1.00 0.00 C ATOM 561 NZ LYS C 37 -4.418 -1.039 11.197 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.425 2.258 6.776 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.237 3.803 8.005 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.591 2.804 10.159 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.028 3.695 9.698 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.176 1.616 9.086 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.723 0.686 9.395 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.789 1.549 11.792 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.355 2.248 11.431 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.672 0.076 12.485 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -6.224 -0.003 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -4.779 -1.888 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.359 -1.218 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -3.472 -0.810 11.564 1.00 0.00 H new ATOM 575 N ALA C 38 -0.821 1.719 7.766 1.00 0.00 N ATOM 576 CA ALA C 38 0.015 0.610 7.353 1.00 0.00 C ATOM 577 C ALA C 38 1.305 0.575 8.151 1.00 0.00 C ATOM 578 O ALA C 38 1.957 1.604 8.332 1.00 0.00 O ATOM 579 CB ALA C 38 0.323 0.707 5.867 1.00 0.00 C ATOM 0 H ALA C 38 -0.309 2.514 8.148 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.530 -0.314 7.544 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.952 -0.132 5.570 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.608 0.681 5.300 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.846 1.642 5.664 1.00 0.00 H new ATOM 585 N THR C 39 1.677 -0.600 8.614 1.00 0.00 N ATOM 586 CA THR C 39 2.951 -0.767 9.277 1.00 0.00 C ATOM 587 C THR C 39 3.963 -1.323 8.292 1.00 0.00 C ATOM 588 O THR C 39 3.614 -2.103 7.404 1.00 0.00 O ATOM 589 CB THR C 39 2.845 -1.707 10.492 1.00 0.00 C ATOM 590 OG1 THR C 39 2.320 -2.971 10.080 1.00 0.00 O ATOM 591 CG2 THR C 39 1.958 -1.104 11.571 1.00 0.00 C ATOM 0 H THR C 39 1.117 -1.450 8.544 1.00 0.00 H new ATOM 0 HA THR C 39 3.272 0.210 9.638 1.00 0.00 H new ATOM 0 HB THR C 39 3.843 -1.846 10.909 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.256 -3.567 10.855 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.900 -1.788 12.418 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.380 -0.154 11.900 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.958 -0.938 11.169 1.00 0.00 H new ATOM 599 N SER C 40 5.200 -0.905 8.438 1.00 0.00 N ATOM 600 CA SER C 40 6.266 -1.349 7.564 1.00 0.00 C ATOM 601 C SER C 40 7.393 -1.922 8.394 1.00 0.00 C ATOM 602 O SER C 40 8.013 -1.217 9.188 1.00 0.00 O ATOM 603 CB SER C 40 6.755 -0.179 6.723 1.00 0.00 C ATOM 604 OG SER C 40 5.681 0.392 5.995 1.00 0.00 O ATOM 0 H SER C 40 5.496 -0.251 9.162 1.00 0.00 H new ATOM 0 HA SER C 40 5.897 -2.126 6.895 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.207 0.575 7.367 1.00 0.00 H new ATOM 0 HB3 SER C 40 7.530 -0.517 6.035 1.00 0.00 H new ATOM 0 HG SER C 40 5.992 1.197 5.530 1.00 0.00 H new ATOM 610 N SER C 41 7.653 -3.200 8.213 1.00 0.00 N ATOM 611 CA SER C 41 8.681 -3.862 8.980 1.00 0.00 C ATOM 612 C SER C 41 9.955 -4.004 8.163 1.00 0.00 C ATOM 613 O SER C 41 10.001 -3.584 6.997 1.00 0.00 O ATOM 614 CB SER C 41 8.180 -5.218 9.472 1.00 0.00 C ATOM 615 OG SER C 41 7.026 -5.061 10.281 1.00 0.00 O ATOM 0 H SER C 41 7.167 -3.797 7.544 1.00 0.00 H new ATOM 0 HA SER C 41 8.917 -3.252 9.852 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.949 -5.857 8.620 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.964 -5.717 10.041 1.00 0.00 H new ATOM 0 HG SER C 41 6.718 -5.940 10.586 1.00 0.00 H new ATOM 621 N ASN C 42 10.963 -4.617 8.788 1.00 0.00 N ATOM 622 CA ASN C 42 12.335 -4.643 8.287 1.00 0.00 C ATOM 623 C ASN C 42 12.997 -3.303 8.546 1.00 0.00 C ATOM 624 O ASN C 42 13.854 -2.859 7.786 1.00 0.00 O ATOM 625 CB ASN C 42 12.422 -5.019 6.802 1.00 0.00 C ATOM 626 CG ASN C 42 13.487 -6.066 6.541 1.00 0.00 C ATOM 627 OD1 ASN C 42 14.632 -5.742 6.227 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.125 -7.327 6.684 1.00 0.00 N ATOM 0 H ASN C 42 10.845 -5.116 9.670 1.00 0.00 H new ATOM 0 HA ASN C 42 12.867 -5.425 8.828 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.455 -5.394 6.466 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.639 -4.127 6.215 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.804 -8.073 6.533 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.166 -7.556 6.945 1.00 0.00 H new ATOM 635 N ALA C 43 12.571 -2.664 9.638 1.00 0.00 N ATOM 636 CA ALA C 43 13.144 -1.403 10.107 1.00 0.00 C ATOM 637 C ALA C 43 13.045 -0.300 9.055 1.00 0.00 C ATOM 638 O ALA C 43 13.911 0.567 8.967 1.00 0.00 O ATOM 639 CB ALA C 43 14.585 -1.607 10.552 1.00 0.00 C ATOM 0 H ALA C 43 11.813 -3.011 10.225 1.00 0.00 H new ATOM 0 HA ALA C 43 12.557 -1.075 10.965 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.997 -0.659 10.898 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.616 -2.334 11.364 1.00 0.00 H new ATOM 0 HB3 ALA C 43 15.176 -1.975 9.713 1.00 0.00 H new ATOM 645 N GLY C 44 11.985 -0.344 8.258 1.00 0.00 N ATOM 646 CA GLY C 44 11.738 0.705 7.284 1.00 0.00 C ATOM 647 C GLY C 44 12.572 0.562 6.025 1.00 0.00 C ATOM 648 O GLY C 44 12.475 1.388 5.118 1.00 0.00 O ATOM 0 H GLY C 44 11.289 -1.090 8.268 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.682 0.700 7.015 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.946 1.672 7.741 1.00 0.00 H new ATOM 652 N TYR C 45 13.382 -0.486 5.967 1.00 0.00 N ATOM 653 CA TYR C 45 14.231 -0.736 4.810 1.00 0.00 C ATOM 654 C TYR C 45 13.399 -1.070 3.585 1.00 0.00 C ATOM 655 O TYR C 45 12.344 -1.697 3.690 1.00 0.00 O ATOM 656 CB TYR C 45 15.207 -1.873 5.102 1.00 0.00 C ATOM 657 CG TYR C 45 16.405 -1.440 5.923 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.315 -1.316 7.303 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.625 -1.151 5.321 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.399 -0.921 8.059 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.714 -0.757 6.071 1.00 0.00 C ATOM 662 CZ TYR C 45 18.596 -0.642 7.440 1.00 0.00 C ATOM 663 OH TYR C 45 19.679 -0.253 8.194 1.00 0.00 O ATOM 0 H TYR C 45 13.469 -1.179 6.710 1.00 0.00 H new ATOM 0 HA TYR C 45 14.795 0.174 4.605 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.681 -2.667 5.631 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.555 -2.295 4.159 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.378 -1.533 7.794 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.722 -1.236 4.249 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.309 -0.831 9.131 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.655 -0.540 5.588 1.00 0.00 H new ATOM 0 HH TYR C 45 20.447 -0.095 7.606 1.00 0.00 H new ATOM 673 N GLY C 46 13.887 -0.638 2.430 1.00 0.00 N ATOM 674 CA GLY C 46 13.173 -0.847 1.190 1.00 0.00 C ATOM 675 C GLY C 46 13.355 -2.249 0.641 1.00 0.00 C ATOM 676 O GLY C 46 13.767 -3.149 1.372 1.00 0.00 O ATOM 0 H GLY C 46 14.773 -0.142 2.332 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.111 -0.659 1.350 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.517 -0.124 0.451 1.00 0.00 H new ATOM 680 N ILE C 47 13.087 -2.413 -0.662 1.00 0.00 N ATOM 681 CA ILE C 47 13.172 -3.725 -1.321 1.00 0.00 C ATOM 682 C ILE C 47 14.458 -4.434 -1.003 1.00 0.00 C ATOM 683 O ILE C 47 14.454 -5.596 -0.632 1.00 0.00 O ATOM 684 CB ILE C 47 13.166 -3.665 -2.856 1.00 0.00 C ATOM 685 CG1 ILE C 47 13.305 -2.246 -3.405 1.00 0.00 C ATOM 686 CG2 ILE C 47 11.953 -4.360 -3.437 1.00 0.00 C ATOM 687 CD1 ILE C 47 14.688 -1.668 -3.248 1.00 0.00 C ATOM 0 H ILE C 47 12.809 -1.652 -1.282 1.00 0.00 H new ATOM 0 HA ILE C 47 12.287 -4.237 -0.943 1.00 0.00 H new ATOM 0 HB ILE C 47 14.055 -4.207 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE C 47 13.039 -2.247 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE C 47 12.590 -1.598 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE C 47 11.984 -4.297 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE C 47 11.954 -5.407 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.047 -3.877 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE C 47 14.710 -0.659 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE C 47 14.950 -1.633 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE C 47 15.406 -2.293 -3.779 1.00 0.00 H new ATOM 699 N SER C 48 15.542 -3.727 -1.238 1.00 0.00 N ATOM 700 CA SER C 48 16.873 -4.238 -1.071 1.00 0.00 C ATOM 701 C SER C 48 17.842 -3.272 -1.737 1.00 0.00 C ATOM 702 O SER C 48 18.667 -2.648 -1.070 1.00 0.00 O ATOM 703 CB SER C 48 17.024 -5.638 -1.682 1.00 0.00 C ATOM 704 OG SER C 48 18.209 -6.269 -1.228 1.00 0.00 O ATOM 0 H SER C 48 15.515 -2.759 -1.558 1.00 0.00 H new ATOM 0 HA SER C 48 17.088 -4.326 -0.006 1.00 0.00 H new ATOM 0 HB2 SER C 48 16.160 -6.248 -1.419 1.00 0.00 H new ATOM 0 HB3 SER C 48 17.042 -5.563 -2.769 1.00 0.00 H new ATOM 0 HG SER C 48 18.983 -5.879 -1.685 1.00 0.00 H new ATOM 710 N TYR C 49 17.699 -3.122 -3.058 1.00 0.00 N ATOM 711 CA TYR C 49 18.617 -2.299 -3.844 1.00 0.00 C ATOM 712 C TYR C 49 17.956 -1.669 -5.079 1.00 0.00 C ATOM 713 O TYR C 49 18.297 -0.549 -5.463 1.00 0.00 O ATOM 714 CB TYR C 49 19.800 -3.151 -4.310 1.00 0.00 C ATOM 715 CG TYR C 49 20.718 -3.602 -3.183 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.448 -2.673 -2.443 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.849 -4.951 -2.846 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.268 -3.070 -1.408 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.673 -5.349 -1.813 1.00 0.00 C ATOM 720 CZ TYR C 49 22.376 -4.408 -1.098 1.00 0.00 C ATOM 721 OH TYR C 49 23.187 -4.805 -0.058 1.00 0.00 O ATOM 0 H TYR C 49 16.956 -3.560 -3.603 1.00 0.00 H new ATOM 0 HA TYR C 49 18.943 -1.489 -3.192 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.419 -4.031 -4.829 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.383 -2.581 -5.034 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.370 -1.623 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR C 49 20.297 -5.694 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.823 -2.336 -0.843 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.765 -6.397 -1.567 1.00 0.00 H new ATOM 0 HH TYR C 49 23.151 -5.780 0.031 1.00 0.00 H new ATOM 731 N GLU C 50 17.009 -2.373 -5.688 1.00 0.00 N ATOM 732 CA GLU C 50 16.569 -2.052 -7.044 1.00 0.00 C ATOM 733 C GLU C 50 15.395 -1.086 -7.103 1.00 0.00 C ATOM 734 O GLU C 50 14.717 -0.819 -6.118 1.00 0.00 O ATOM 735 CB GLU C 50 16.200 -3.338 -7.779 1.00 0.00 C ATOM 736 CG GLU C 50 17.363 -4.299 -7.949 1.00 0.00 C ATOM 737 CD GLU C 50 18.532 -3.669 -8.675 1.00 0.00 C ATOM 738 OE1 GLU C 50 18.410 -3.408 -9.892 1.00 0.00 O ATOM 739 OE2 GLU C 50 19.578 -3.437 -8.037 1.00 0.00 O1- ATOM 0 H GLU C 50 16.531 -3.169 -5.267 1.00 0.00 H new ATOM 0 HA GLU C 50 17.408 -1.549 -7.524 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.401 -3.841 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU C 50 15.804 -3.083 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU C 50 17.691 -4.644 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU C 50 17.027 -5.177 -8.500 1.00 0.00 H new ATOM 746 N ASP C 51 15.167 -0.587 -8.306 1.00 0.00 N ATOM 747 CA ASP C 51 14.140 0.404 -8.573 1.00 0.00 C ATOM 748 C ASP C 51 12.854 -0.252 -9.067 1.00 0.00 C ATOM 749 O ASP C 51 12.684 -0.514 -10.257 1.00 0.00 O ATOM 750 CB ASP C 51 14.656 1.416 -9.609 1.00 0.00 C ATOM 751 CG ASP C 51 15.179 0.755 -10.876 1.00 0.00 C ATOM 752 OD1 ASP C 51 14.592 0.969 -11.955 1.00 0.00 O ATOM 753 OD2 ASP C 51 16.179 0.004 -10.795 1.00 0.00 O1- ATOM 0 H ASP C 51 15.696 -0.862 -9.134 1.00 0.00 H new ATOM 0 HA ASP C 51 13.911 0.923 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.851 2.103 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP C 51 15.451 2.012 -9.162 1.00 0.00 H new ATOM 758 N LYS C 52 11.960 -0.548 -8.142 1.00 0.00 N ATOM 759 CA LYS C 52 10.643 -1.047 -8.494 1.00 0.00 C ATOM 760 C LYS C 52 9.635 0.090 -8.397 1.00 0.00 C ATOM 761 O LYS C 52 9.887 1.082 -7.710 1.00 0.00 O ATOM 762 CB LYS C 52 10.255 -2.214 -7.587 1.00 0.00 C ATOM 763 CG LYS C 52 10.681 -3.578 -8.111 1.00 0.00 C ATOM 764 CD LYS C 52 12.167 -3.631 -8.431 1.00 0.00 C ATOM 765 CE LYS C 52 12.507 -4.840 -9.287 1.00 0.00 C ATOM 766 NZ LYS C 52 13.922 -4.817 -9.746 1.00 0.00 N1+ ATOM 0 H LYS C 52 12.122 -0.451 -7.140 1.00 0.00 H new ATOM 0 HA LYS C 52 10.653 -1.419 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.700 -2.059 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS C 52 9.173 -2.211 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.443 -4.341 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS C 52 10.109 -3.816 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.461 -2.720 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.739 -3.667 -7.504 1.00 0.00 H new ATOM 0 HE2 LYS C 52 12.326 -5.751 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS C 52 11.845 -4.869 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 14.040 -5.477 -10.541 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 14.171 -3.856 -10.055 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 14.545 -5.102 -8.964 1.00 0.00 H new ATOM 780 N ASN C 53 8.515 -0.031 -9.094 1.00 0.00 N ATOM 781 CA ASN C 53 7.549 1.059 -9.150 1.00 0.00 C ATOM 782 C ASN C 53 6.211 0.685 -8.530 1.00 0.00 C ATOM 783 O ASN C 53 5.533 -0.243 -8.971 1.00 0.00 O ATOM 784 CB ASN C 53 7.342 1.553 -10.585 1.00 0.00 C ATOM 785 CG ASN C 53 7.375 0.435 -11.605 1.00 0.00 C ATOM 786 OD1 ASN C 53 8.364 0.246 -12.309 1.00 0.00 O ATOM 787 ND2 ASN C 53 6.314 -0.335 -11.661 1.00 0.00 N ATOM 0 H ASN C 53 8.253 -0.863 -9.624 1.00 0.00 H new ATOM 0 HA ASN C 53 7.974 1.869 -8.557 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.385 2.070 -10.651 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.115 2.282 -10.828 1.00 0.00 H new ATOM 0 HD21 ASN C 53 6.290 -1.125 -12.306 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.513 -0.144 -11.059 1.00 0.00 H new ATOM 794 N TRP C 54 5.848 1.449 -7.519 1.00 0.00 N ATOM 795 CA TRP C 54 4.634 1.256 -6.749 1.00 0.00 C ATOM 796 C TRP C 54 3.551 2.257 -7.141 1.00 0.00 C ATOM 797 O TRP C 54 3.845 3.242 -7.809 1.00 0.00 O ATOM 798 CB TRP C 54 4.982 1.482 -5.297 1.00 0.00 C ATOM 799 CG TRP C 54 4.611 0.354 -4.429 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.394 -0.675 -4.030 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.344 0.150 -3.862 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.671 -1.526 -3.228 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.398 -1.031 -3.114 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.166 0.870 -3.924 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.292 -1.506 -2.427 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.081 0.406 -3.256 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.146 -0.775 -2.514 1.00 0.00 C ATOM 0 H TRP C 54 6.404 2.243 -7.201 1.00 0.00 H new ATOM 0 HA TRP C 54 4.252 0.252 -6.935 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.054 1.661 -5.211 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.479 2.383 -4.946 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.431 -0.808 -4.301 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.022 -2.379 -2.793 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.111 1.786 -4.494 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.337 -2.416 -1.848 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.154 0.958 -3.298 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.263 -1.118 -1.995 1.00 0.00 H new ATOM 818 N GLY C 55 2.296 2.031 -6.718 1.00 0.00 N ATOM 819 CA GLY C 55 1.293 3.052 -6.932 1.00 0.00 C ATOM 820 C GLY C 55 -0.054 2.775 -6.293 1.00 0.00 C ATOM 821 O GLY C 55 -0.464 1.632 -6.135 1.00 0.00 O ATOM 0 H GLY C 55 1.974 1.185 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.673 3.998 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.149 3.179 -8.005 1.00 0.00 H new ATOM 825 N ILE C 56 -0.750 3.843 -5.929 1.00 0.00 N ATOM 826 CA ILE C 56 -2.100 3.723 -5.380 1.00 0.00 C ATOM 827 C ILE C 56 -3.135 4.228 -6.379 1.00 0.00 C ATOM 828 O ILE C 56 -3.075 5.384 -6.811 1.00 0.00 O ATOM 829 CB ILE C 56 -2.292 4.513 -4.059 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.481 3.923 -2.907 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.765 4.534 -3.667 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.020 4.077 -3.037 1.00 0.00 C ATOM 0 H ILE C 56 -0.407 4.801 -6.002 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.239 2.662 -5.174 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.934 5.526 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.801 4.395 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.716 2.862 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.886 5.091 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.345 5.013 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -4.119 3.513 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.508 3.628 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.360 3.579 -3.945 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.274 5.136 -3.087 1.00 0.00 H new ATOM 844 N PHE C 57 -4.083 3.371 -6.732 1.00 0.00 N ATOM 845 CA PHE C 57 -5.196 3.778 -7.578 1.00 0.00 C ATOM 846 C PHE C 57 -6.475 3.840 -6.750 1.00 0.00 C ATOM 847 O PHE C 57 -6.715 2.989 -5.899 1.00 0.00 O ATOM 848 CB PHE C 57 -5.409 2.812 -8.754 1.00 0.00 C ATOM 849 CG PHE C 57 -4.209 2.601 -9.635 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.134 1.838 -9.202 1.00 0.00 C ATOM 851 CD2 PHE C 57 -4.170 3.146 -10.906 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.043 1.628 -10.022 1.00 0.00 C ATOM 853 CE2 PHE C 57 -3.079 2.940 -11.730 1.00 0.00 C ATOM 854 CZ PHE C 57 -2.015 2.180 -11.287 1.00 0.00 C ATOM 0 H PHE C 57 -4.104 2.392 -6.447 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.955 4.760 -7.984 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.723 1.846 -8.358 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.229 3.187 -9.367 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.151 1.404 -8.213 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -5.001 3.739 -11.258 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.212 1.032 -9.674 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -3.059 3.373 -12.719 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.162 2.018 -11.929 1.00 0.00 H new ATOM 864 N VAL C 58 -7.271 4.863 -6.984 1.00 0.00 N ATOM 865 CA VAL C 58 -8.588 4.967 -6.388 1.00 0.00 C ATOM 866 C VAL C 58 -9.611 5.225 -7.489 1.00 0.00 C ATOM 867 O VAL C 58 -9.525 6.221 -8.214 1.00 0.00 O ATOM 868 CB VAL C 58 -8.651 6.076 -5.305 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.320 7.441 -5.882 1.00 0.00 C ATOM 870 CG2 VAL C 58 -10.016 6.095 -4.637 1.00 0.00 C ATOM 0 H VAL C 58 -7.024 5.645 -7.591 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.816 4.027 -5.885 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.897 5.844 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.374 8.192 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.313 7.425 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.035 7.687 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -10.040 6.879 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.785 6.289 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -10.204 5.130 -4.165 1.00 0.00 H new ATOM 880 N ASN C 59 -10.536 4.286 -7.657 1.00 0.00 N ATOM 881 CA ASN C 59 -11.539 4.363 -8.720 1.00 0.00 C ATOM 882 C ASN C 59 -10.864 4.356 -10.093 1.00 0.00 C ATOM 883 O ASN C 59 -11.411 4.871 -11.070 1.00 0.00 O ATOM 884 CB ASN C 59 -12.418 5.614 -8.571 1.00 0.00 C ATOM 885 CG ASN C 59 -13.253 5.611 -7.303 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.810 6.072 -6.250 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.470 5.102 -7.396 1.00 0.00 N ATOM 0 H ASN C 59 -10.614 3.457 -7.068 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.181 3.486 -8.634 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.782 6.500 -8.578 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.080 5.690 -9.434 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -15.078 5.082 -6.577 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.800 4.730 -8.286 1.00 0.00 H new ATOM 894 N GLY C 60 -9.672 3.764 -10.158 1.00 0.00 N ATOM 895 CA GLY C 60 -8.936 3.689 -11.410 1.00 0.00 C ATOM 896 C GLY C 60 -8.025 4.885 -11.652 1.00 0.00 C ATOM 897 O GLY C 60 -7.408 4.992 -12.715 1.00 0.00 O ATOM 0 H GLY C 60 -9.202 3.333 -9.362 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.336 2.779 -11.416 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.644 3.609 -12.235 1.00 0.00 H new ATOM 901 N GLU C 61 -7.932 5.779 -10.677 1.00 0.00 N ATOM 902 CA GLU C 61 -7.086 6.961 -10.803 1.00 0.00 C ATOM 903 C GLU C 61 -6.045 6.999 -9.683 1.00 0.00 C ATOM 904 O GLU C 61 -6.345 6.689 -8.539 1.00 0.00 O ATOM 905 CB GLU C 61 -7.950 8.226 -10.780 1.00 0.00 C ATOM 906 CG GLU C 61 -7.161 9.509 -10.963 1.00 0.00 C ATOM 907 CD GLU C 61 -6.338 9.508 -12.235 1.00 0.00 C ATOM 908 OE1 GLU C 61 -5.214 8.966 -12.216 1.00 0.00 O ATOM 909 OE2 GLU C 61 -6.805 10.050 -13.258 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.431 5.710 -9.790 1.00 0.00 H new ATOM 0 HA GLU C 61 -6.557 6.915 -11.755 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -8.701 8.157 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.486 8.272 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -7.848 10.355 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -6.501 9.651 -10.107 1.00 0.00 H new ATOM 916 N LYS C 62 -4.826 7.395 -10.018 1.00 0.00 N ATOM 917 CA LYS C 62 -3.710 7.351 -9.074 1.00 0.00 C ATOM 918 C LYS C 62 -3.707 8.563 -8.149 1.00 0.00 C ATOM 919 O LYS C 62 -3.929 9.692 -8.590 1.00 0.00 O ATOM 920 CB LYS C 62 -2.381 7.291 -9.829 1.00 0.00 C ATOM 921 CG LYS C 62 -2.236 6.069 -10.720 1.00 0.00 C ATOM 922 CD LYS C 62 -0.911 6.067 -11.472 1.00 0.00 C ATOM 923 CE LYS C 62 -0.807 7.244 -12.430 1.00 0.00 C ATOM 924 NZ LYS C 62 0.445 7.206 -13.230 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.580 7.753 -10.941 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.833 6.454 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.280 8.188 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.564 7.302 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -2.310 5.167 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -3.059 6.041 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.088 6.104 -10.759 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.809 5.135 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -1.666 7.241 -13.101 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.847 8.175 -11.865 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 0.474 8.026 -13.869 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.266 7.235 -12.592 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 0.473 6.330 -13.790 1.00 0.00 H new ATOM 938 N VAL C 63 -3.458 8.323 -6.864 1.00 0.00 N ATOM 939 CA VAL C 63 -3.297 9.413 -5.905 1.00 0.00 C ATOM 940 C VAL C 63 -1.828 9.597 -5.540 1.00 0.00 C ATOM 941 O VAL C 63 -1.350 10.723 -5.398 1.00 0.00 O ATOM 942 CB VAL C 63 -4.115 9.207 -4.607 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.598 9.164 -4.906 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.689 7.947 -3.876 1.00 0.00 C ATOM 0 H VAL C 63 -3.364 7.389 -6.464 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.679 10.305 -6.401 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.915 10.058 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -6.152 9.018 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -5.903 10.103 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.808 8.340 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.284 7.834 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.843 7.082 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.634 8.019 -3.611 1.00 0.00 H new ATOM 954 N TYR C 64 -1.115 8.489 -5.390 1.00 0.00 N ATOM 955 CA TYR C 64 0.290 8.537 -5.035 1.00 0.00 C ATOM 956 C TYR C 64 1.044 7.409 -5.728 1.00 0.00 C ATOM 957 O TYR C 64 0.497 6.327 -5.949 1.00 0.00 O ATOM 958 CB TYR C 64 0.451 8.441 -3.513 1.00 0.00 C ATOM 959 CG TYR C 64 1.874 8.607 -3.030 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.588 7.523 -2.543 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.502 9.845 -3.059 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.887 7.665 -2.098 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.803 9.996 -2.617 1.00 0.00 C ATOM 964 CZ TYR C 64 4.491 8.902 -2.137 1.00 0.00 C ATOM 965 OH TYR C 64 5.788 9.044 -1.698 1.00 0.00 O ATOM 0 H TYR C 64 -1.490 7.548 -5.509 1.00 0.00 H new ATOM 0 HA TYR C 64 0.709 9.487 -5.368 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.171 9.203 -3.044 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.076 7.473 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.120 6.550 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.965 10.704 -3.433 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.427 6.809 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.278 10.966 -2.648 1.00 0.00 H new ATOM 0 HH TYR C 64 6.065 9.979 -1.794 1.00 0.00 H new ATOM 975 N THR C 65 2.283 7.680 -6.090 1.00 0.00 N ATOM 976 CA THR C 65 3.140 6.699 -6.730 1.00 0.00 C ATOM 977 C THR C 65 4.536 6.784 -6.105 1.00 0.00 C ATOM 978 O THR C 65 4.989 7.880 -5.776 1.00 0.00 O ATOM 979 CB THR C 65 3.223 6.978 -8.250 1.00 0.00 C ATOM 980 OG1 THR C 65 1.905 6.982 -8.815 1.00 0.00 O ATOM 981 CG2 THR C 65 4.080 5.950 -8.974 1.00 0.00 C ATOM 0 H THR C 65 2.725 8.588 -5.949 1.00 0.00 H new ATOM 0 HA THR C 65 2.730 5.700 -6.584 1.00 0.00 H new ATOM 0 HB THR C 65 3.691 7.954 -8.379 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.962 7.160 -9.777 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.110 6.185 -10.038 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.092 5.970 -8.569 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.653 4.957 -8.834 1.00 0.00 H new ATOM 989 N PHE C 66 5.207 5.651 -5.911 1.00 0.00 N ATOM 990 CA PHE C 66 6.539 5.668 -5.308 1.00 0.00 C ATOM 991 C PHE C 66 7.362 4.461 -5.741 1.00 0.00 C ATOM 992 O PHE C 66 6.935 3.683 -6.589 1.00 0.00 O ATOM 993 CB PHE C 66 6.452 5.742 -3.773 1.00 0.00 C ATOM 994 CG PHE C 66 5.851 4.540 -3.091 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.667 3.543 -2.576 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.479 4.424 -2.929 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.128 2.458 -1.913 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.934 3.337 -2.272 1.00 0.00 C ATOM 999 CZ PHE C 66 4.760 2.355 -1.762 1.00 0.00 C ATOM 0 H PHE C 66 4.859 4.724 -6.157 1.00 0.00 H new ATOM 0 HA PHE C 66 7.046 6.565 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.456 5.896 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.865 6.620 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.738 3.616 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.829 5.192 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.776 1.692 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.863 3.256 -2.158 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.336 1.507 -1.245 1.00 0.00 H new ATOM 1009 N ASN C 67 8.554 4.327 -5.171 1.00 0.00 N ATOM 1010 CA ASN C 67 9.459 3.235 -5.515 1.00 0.00 C ATOM 1011 C ASN C 67 9.893 2.494 -4.259 1.00 0.00 C ATOM 1012 O ASN C 67 10.170 3.110 -3.227 1.00 0.00 O ATOM 1013 CB ASN C 67 10.701 3.774 -6.237 1.00 0.00 C ATOM 1014 CG ASN C 67 10.391 4.463 -7.554 1.00 0.00 C ATOM 1015 OD1 ASN C 67 11.048 5.437 -7.924 1.00 0.00 O ATOM 1016 ND2 ASN C 67 9.412 3.953 -8.282 1.00 0.00 N ATOM 0 H ASN C 67 8.919 4.965 -4.464 1.00 0.00 H new ATOM 0 HA ASN C 67 8.928 2.550 -6.176 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.215 4.477 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.389 2.949 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN C 67 9.178 4.367 -9.184 1.00 0.00 H new ATOM 0 HD22 ASN C 67 8.891 3.145 -7.941 1.00 0.00 H new ATOM 1023 N GLU C 68 9.957 1.170 -4.359 1.00 0.00 N ATOM 1024 CA GLU C 68 10.298 0.313 -3.225 1.00 0.00 C ATOM 1025 C GLU C 68 11.700 0.569 -2.678 1.00 0.00 C ATOM 1026 O GLU C 68 12.018 0.124 -1.577 1.00 0.00 O ATOM 1027 CB GLU C 68 10.182 -1.176 -3.584 1.00 0.00 C ATOM 1028 CG GLU C 68 8.765 -1.682 -3.819 1.00 0.00 C ATOM 1029 CD GLU C 68 8.233 -1.436 -5.218 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.210 -0.276 -5.664 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.817 -2.422 -5.868 1.00 0.00 O1- ATOM 0 H GLU C 68 9.775 0.661 -5.224 1.00 0.00 H new ATOM 0 HA GLU C 68 9.574 0.569 -2.452 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.770 -1.363 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.631 -1.762 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.737 -2.753 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.098 -1.204 -3.101 1.00 0.00 H new ATOM 1038 N LYS C 69 12.551 1.258 -3.434 1.00 0.00 N ATOM 1039 CA LYS C 69 13.916 1.506 -2.971 1.00 0.00 C ATOM 1040 C LYS C 69 13.962 2.697 -2.036 1.00 0.00 C ATOM 1041 O LYS C 69 15.027 3.093 -1.558 1.00 0.00 O ATOM 1042 CB LYS C 69 14.886 1.687 -4.136 1.00 0.00 C ATOM 1043 CG LYS C 69 14.592 2.871 -5.024 1.00 0.00 C ATOM 1044 CD LYS C 69 15.326 2.709 -6.349 1.00 0.00 C ATOM 1045 CE LYS C 69 16.403 3.765 -6.543 1.00 0.00 C ATOM 1046 NZ LYS C 69 15.832 5.122 -6.728 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.328 1.647 -4.350 1.00 0.00 H new ATOM 0 HA LYS C 69 14.237 0.624 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.895 1.791 -3.738 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.875 0.782 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.519 2.950 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.904 3.793 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.779 1.719 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS C 69 14.610 2.768 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.067 3.767 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.010 3.507 -7.411 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 16.583 5.777 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 15.093 5.091 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 15.419 5.450 -5.832 1.00 0.00 H new ATOM 1060 N SER C 70 12.802 3.265 -1.773 1.00 0.00 N ATOM 1061 CA SER C 70 12.676 4.260 -0.741 1.00 0.00 C ATOM 1062 C SER C 70 12.555 3.541 0.607 1.00 0.00 C ATOM 1063 O SER C 70 12.691 2.319 0.667 1.00 0.00 O ATOM 1064 CB SER C 70 11.453 5.135 -1.012 1.00 0.00 C ATOM 1065 OG SER C 70 11.540 5.732 -2.296 1.00 0.00 O ATOM 0 H SER C 70 11.934 3.050 -2.264 1.00 0.00 H new ATOM 0 HA SER C 70 13.551 4.910 -0.725 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.547 4.533 -0.946 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.377 5.910 -0.249 1.00 0.00 H new ATOM 0 HG SER C 70 11.157 5.127 -2.965 1.00 0.00 H new ATOM 1071 N THR C 71 12.307 4.265 1.684 1.00 0.00 N ATOM 1072 CA THR C 71 12.134 3.629 2.966 1.00 0.00 C ATOM 1073 C THR C 71 10.653 3.463 3.235 1.00 0.00 C ATOM 1074 O THR C 71 9.910 4.442 3.325 1.00 0.00 O ATOM 1075 CB THR C 71 12.804 4.435 4.096 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.374 5.802 4.052 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.319 4.371 3.983 1.00 0.00 C ATOM 0 H THR C 71 12.223 5.281 1.692 1.00 0.00 H new ATOM 0 HA THR C 71 12.618 2.652 2.941 1.00 0.00 H new ATOM 0 HB THR C 71 12.507 3.994 5.048 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.134 6.390 4.243 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.769 4.947 4.791 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.645 3.333 4.052 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.630 4.786 3.025 1.00 0.00 H new ATOM 1085 N VAL C 72 10.234 2.216 3.353 1.00 0.00 N ATOM 1086 CA VAL C 72 8.824 1.872 3.392 1.00 0.00 C ATOM 1087 C VAL C 72 8.122 2.527 4.573 1.00 0.00 C ATOM 1088 O VAL C 72 6.913 2.729 4.548 1.00 0.00 O ATOM 1089 CB VAL C 72 8.622 0.332 3.464 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.254 -0.064 2.957 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.701 -0.402 2.681 1.00 0.00 C ATOM 0 H VAL C 72 10.860 1.414 3.424 1.00 0.00 H new ATOM 0 HA VAL C 72 8.383 2.247 2.469 1.00 0.00 H new ATOM 0 HB VAL C 72 8.699 0.044 4.512 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.142 -1.146 3.020 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.487 0.416 3.566 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.145 0.253 1.920 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.533 -1.477 2.750 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.664 -0.095 1.636 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.680 -0.160 3.096 1.00 0.00 H new ATOM 1101 N GLY C 73 8.891 2.909 5.577 1.00 0.00 N ATOM 1102 CA GLY C 73 8.295 3.449 6.785 1.00 0.00 C ATOM 1103 C GLY C 73 7.992 4.917 6.656 1.00 0.00 C ATOM 1104 O GLY C 73 7.015 5.405 7.227 1.00 0.00 O ATOM 0 H GLY C 73 9.910 2.857 5.582 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.376 2.907 7.009 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.971 3.291 7.625 1.00 0.00 H new ATOM 1108 N ASN C 74 8.816 5.627 5.900 1.00 0.00 N ATOM 1109 CA ASN C 74 8.529 7.017 5.600 1.00 0.00 C ATOM 1110 C ASN C 74 7.429 7.090 4.561 1.00 0.00 C ATOM 1111 O ASN C 74 6.542 7.931 4.646 1.00 0.00 O ATOM 1112 CB ASN C 74 9.771 7.766 5.102 1.00 0.00 C ATOM 1113 CG ASN C 74 10.754 8.083 6.214 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.595 9.068 6.937 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.799 7.282 6.329 1.00 0.00 N ATOM 0 H ASN C 74 9.677 5.267 5.489 1.00 0.00 H new ATOM 0 HA ASN C 74 8.206 7.501 6.522 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.271 7.166 4.342 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.461 8.694 4.622 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.510 7.470 7.036 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.894 6.476 5.711 1.00 0.00 H new ATOM 1122 N ILE C 75 7.470 6.174 3.598 1.00 0.00 N ATOM 1123 CA ILE C 75 6.495 6.174 2.520 1.00 0.00 C ATOM 1124 C ILE C 75 5.108 5.818 3.034 1.00 0.00 C ATOM 1125 O ILE C 75 4.166 6.603 2.907 1.00 0.00 O ATOM 1126 CB ILE C 75 6.858 5.178 1.403 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.288 5.401 0.904 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.871 5.312 0.258 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.551 6.803 0.406 1.00 0.00 C ATOM 0 H ILE C 75 8.164 5.428 3.544 1.00 0.00 H new ATOM 0 HA ILE C 75 6.501 7.185 2.113 1.00 0.00 H new ATOM 0 HB ILE C 75 6.803 4.168 1.810 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.984 5.177 1.713 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.496 4.695 0.100 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.131 4.606 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.865 5.099 0.618 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.908 6.327 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.585 6.882 0.070 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.881 7.026 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.377 7.514 1.213 1.00 0.00 H new ATOM 1141 N SER C 76 4.996 4.637 3.628 1.00 0.00 N ATOM 1142 CA SER C 76 3.707 4.106 4.025 1.00 0.00 C ATOM 1143 C SER C 76 3.012 5.018 5.007 1.00 0.00 C ATOM 1144 O SER C 76 1.868 5.398 4.801 1.00 0.00 O ATOM 1145 CB SER C 76 3.852 2.709 4.619 1.00 0.00 C ATOM 1146 OG SER C 76 4.536 1.848 3.726 1.00 0.00 O ATOM 0 H SER C 76 5.787 4.030 3.844 1.00 0.00 H new ATOM 0 HA SER C 76 3.093 4.042 3.127 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.394 2.765 5.563 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.866 2.300 4.841 1.00 0.00 H new ATOM 0 HG SER C 76 5.474 2.125 3.658 1.00 0.00 H new ATOM 1152 N ASN C 77 3.702 5.392 6.060 1.00 0.00 N ATOM 1153 CA ASN C 77 3.066 6.195 7.100 1.00 0.00 C ATOM 1154 C ASN C 77 2.758 7.618 6.641 1.00 0.00 C ATOM 1155 O ASN C 77 1.910 8.281 7.239 1.00 0.00 O ATOM 1156 CB ASN C 77 3.855 6.181 8.405 1.00 0.00 C ATOM 1157 CG ASN C 77 3.206 5.273 9.443 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.892 4.637 10.241 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.868 5.217 9.454 1.00 0.00 N ATOM 0 H ASN C 77 4.682 5.164 6.225 1.00 0.00 H new ATOM 0 HA ASN C 77 2.106 5.719 7.301 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.873 5.844 8.212 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.924 7.195 8.800 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.388 4.634 10.139 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.329 5.758 8.777 1.00 0.00 H new ATOM 1166 N ASP C 78 3.405 8.087 5.577 1.00 0.00 N ATOM 1167 CA ASP C 78 2.965 9.327 4.939 1.00 0.00 C ATOM 1168 C ASP C 78 1.620 9.096 4.289 1.00 0.00 C ATOM 1169 O ASP C 78 0.696 9.879 4.464 1.00 0.00 O ATOM 1170 CB ASP C 78 3.948 9.836 3.887 1.00 0.00 C ATOM 1171 CG ASP C 78 5.074 10.656 4.485 1.00 0.00 C ATOM 1172 OD1 ASP C 78 6.141 10.776 3.848 1.00 0.00 O ATOM 1173 OD2 ASP C 78 4.890 11.209 5.589 1.00 0.00 O1- ATOM 0 H ASP C 78 4.215 7.642 5.146 1.00 0.00 H new ATOM 0 HA ASP C 78 2.903 10.088 5.717 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.369 8.987 3.348 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.411 10.442 3.157 1.00 0.00 H new ATOM 1178 N ILE C 79 1.520 7.991 3.559 1.00 0.00 N ATOM 1179 CA ILE C 79 0.259 7.545 2.971 1.00 0.00 C ATOM 1180 C ILE C 79 -0.814 7.426 4.048 1.00 0.00 C ATOM 1181 O ILE C 79 -2.004 7.628 3.800 1.00 0.00 O ATOM 1182 CB ILE C 79 0.430 6.165 2.291 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.400 6.262 1.110 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -0.915 5.597 1.850 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.745 4.918 0.505 1.00 0.00 C ATOM 0 H ILE C 79 2.310 7.378 3.357 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.041 8.283 2.227 1.00 0.00 H new ATOM 0 HB ILE C 79 0.853 5.478 3.024 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.962 6.897 0.340 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.317 6.749 1.441 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.763 4.627 1.376 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.562 5.478 2.719 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.383 6.279 1.140 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.436 5.060 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE C 79 2.212 4.288 1.262 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.836 4.438 0.143 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.377 7.124 5.253 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.294 6.816 6.324 1.00 0.00 C ATOM 1199 C ASN C 80 -1.751 8.054 7.063 1.00 0.00 C ATOM 1200 O ASN C 80 -2.907 8.137 7.463 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.665 5.832 7.308 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.217 4.548 6.642 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.814 4.097 5.673 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.843 3.945 7.159 1.00 0.00 N ATOM 0 H ASN C 80 0.609 7.086 5.513 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.171 6.360 5.864 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.191 6.304 7.791 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.385 5.598 8.092 1.00 0.00 H new ATOM 0 HD21 ASN C 80 1.186 3.076 6.749 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.316 4.349 7.967 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.858 9.017 7.249 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.225 10.256 7.922 1.00 0.00 C ATOM 1213 C LYS C 81 -2.322 10.951 7.124 1.00 0.00 C ATOM 1214 O LYS C 81 -3.143 11.680 7.673 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.008 11.175 8.085 1.00 0.00 C ATOM 1216 CG LYS C 81 0.484 11.782 6.782 1.00 0.00 C ATOM 1217 CD LYS C 81 1.817 12.486 6.952 1.00 0.00 C ATOM 1218 CE LYS C 81 2.272 13.117 5.649 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.668 13.614 5.732 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.115 8.966 6.947 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.595 10.023 8.921 1.00 0.00 H new ATOM 0 HB2 LYS C 81 -0.262 11.979 8.776 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.804 10.608 8.540 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.581 10.998 6.031 1.00 0.00 H new ATOM 0 HG3 LYS C 81 -0.256 12.491 6.410 1.00 0.00 H new ATOM 0 HD2 LYS C 81 1.731 13.254 7.721 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.567 11.773 7.296 1.00 0.00 H new ATOM 0 HE2 LYS C 81 2.194 12.385 4.845 1.00 0.00 H new ATOM 0 HE3 LYS C 81 1.607 13.942 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 3.802 14.388 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 3.856 13.962 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 4.326 12.840 5.510 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.346 10.668 5.826 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.353 11.207 4.925 1.00 0.00 C ATOM 1235 C LEU C 82 -4.756 10.835 5.395 1.00 0.00 C ATOM 1236 O LEU C 82 -5.700 11.593 5.176 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.147 10.645 3.515 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.704 10.632 3.005 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.660 10.126 1.571 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.084 12.022 3.093 1.00 0.00 C ATOM 0 H LEU C 82 -1.667 10.058 5.371 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.250 12.292 4.917 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.529 9.624 3.492 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.752 11.228 2.821 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.123 9.959 3.636 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.629 10.121 1.218 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.063 9.114 1.530 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.257 10.780 0.936 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.059 11.987 2.725 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.664 12.718 2.487 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.086 12.356 4.130 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.861 9.689 6.077 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.155 9.080 6.420 1.00 0.00 C ATOM 1254 C ASN C 83 -7.140 9.220 5.263 1.00 0.00 C ATOM 1255 O ASN C 83 -7.934 10.162 5.202 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.730 9.664 7.712 1.00 0.00 C ATOM 1257 CG ASN C 83 -5.916 9.291 8.946 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.939 10.007 9.947 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.176 8.178 8.889 1.00 0.00 N ATOM 0 H ASN C 83 -4.055 9.158 6.407 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.986 8.018 6.596 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.773 10.750 7.626 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.754 9.313 7.839 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.609 7.901 9.690 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -5.179 7.606 8.044 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.077 8.265 4.351 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.765 8.367 3.078 1.00 0.00 C ATOM 1268 C ILE C 84 -9.238 8.018 3.173 1.00 0.00 C ATOM 1269 O ILE C 84 -9.615 6.960 3.670 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.119 7.447 2.041 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.610 7.623 2.083 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.657 7.745 0.647 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -4.877 6.783 1.060 1.00 0.00 C ATOM 0 H ILE C 84 -6.549 7.401 4.472 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.679 9.410 2.775 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.365 6.412 2.278 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.370 8.673 1.919 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.249 7.366 3.079 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.184 7.079 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.736 7.589 0.632 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.436 8.780 0.385 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.805 6.958 1.146 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.088 5.728 1.237 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.210 7.057 0.059 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.048 8.907 2.636 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.488 8.713 2.546 1.00 0.00 C ATOM 1287 C LYS C 85 -11.828 7.973 1.253 1.00 0.00 C ATOM 1288 O LYS C 85 -12.848 8.233 0.611 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.179 10.075 2.591 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.694 11.031 1.495 1.00 0.00 C ATOM 1291 CD LYS C 85 -11.413 12.420 2.048 1.00 0.00 C ATOM 1292 CE LYS C 85 -10.218 12.414 2.994 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.931 13.768 3.535 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.727 9.793 2.245 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.838 8.112 3.385 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.255 9.933 2.491 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -12.006 10.531 3.566 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.789 10.631 1.037 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.447 11.097 0.709 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -11.223 13.109 1.225 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -12.293 12.788 2.575 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -10.411 11.727 3.818 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -9.340 12.040 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -9.112 13.720 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -9.721 14.418 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -10.759 14.115 4.060 1.00 0.00 H new ATOM 1307 N GLY C 86 -10.956 7.044 0.890 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.076 6.347 -0.369 1.00 0.00 C ATOM 1309 C GLY C 86 -12.057 5.196 -0.297 1.00 0.00 C ATOM 1310 O GLY C 86 -12.024 4.412 0.653 1.00 0.00 O ATOM 0 H GLY C 86 -10.157 6.759 1.456 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -11.397 7.047 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.098 5.970 -0.668 1.00 0.00 H new ATOM 1314 N PRO C 87 -12.942 5.060 -1.293 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.926 3.981 -1.328 1.00 0.00 C ATOM 1316 C PRO C 87 -13.319 2.680 -1.846 1.00 0.00 C ATOM 1317 O PRO C 87 -13.495 1.618 -1.249 1.00 0.00 O ATOM 1318 CB PRO C 87 -14.970 4.517 -2.304 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.172 5.322 -3.267 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.075 5.962 -2.456 1.00 0.00 C ATOM 0 HA PRO C 87 -14.325 3.736 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.503 3.708 -2.804 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.718 5.126 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -13.759 4.692 -4.055 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -14.790 6.077 -3.753 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.145 6.030 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -13.338 6.975 -2.152 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.594 2.770 -2.954 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.909 1.620 -3.504 1.00 0.00 C ATOM 1330 C TYR C 88 -10.438 1.953 -3.682 1.00 0.00 C ATOM 1331 O TYR C 88 -10.055 2.616 -4.646 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.497 1.192 -4.852 1.00 0.00 C ATOM 1333 CG TYR C 88 -14.006 1.231 -4.929 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -14.671 2.362 -5.389 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.763 0.134 -4.558 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -16.049 2.395 -5.469 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -16.140 0.159 -4.634 1.00 0.00 C ATOM 1338 CZ TYR C 88 -16.778 1.289 -5.090 1.00 0.00 C ATOM 1339 OH TYR C 88 -18.152 1.312 -5.172 1.00 0.00 O ATOM 0 H TYR C 88 -12.469 3.631 -3.486 1.00 0.00 H new ATOM 0 HA TYR C 88 -12.035 0.791 -2.807 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.091 1.838 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.163 0.178 -5.072 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -14.101 3.229 -5.689 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -14.267 -0.757 -4.203 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -16.552 3.282 -5.826 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -16.715 -0.705 -4.337 1.00 0.00 H new ATOM 0 HH TYR C 88 -18.512 0.453 -4.868 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.624 1.515 -2.743 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.198 1.784 -2.786 1.00 0.00 C ATOM 1351 C ILE C 89 -7.441 0.576 -3.302 1.00 0.00 C ATOM 1352 O ILE C 89 -7.593 -0.538 -2.802 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.663 2.191 -1.396 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.274 3.531 -0.985 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.139 2.259 -1.387 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -7.714 4.725 -1.735 1.00 0.00 C ATOM 0 H ILE C 89 -9.926 0.968 -1.936 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.040 2.618 -3.470 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.956 1.430 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -9.352 3.490 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -8.113 3.679 0.083 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.794 2.548 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.730 1.282 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -5.803 2.996 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.200 5.636 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -6.641 4.795 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -7.898 4.603 -2.802 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.656 0.805 -4.332 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.820 -0.225 -4.899 1.00 0.00 C ATOM 1370 C GLU C 90 -4.384 0.011 -4.493 1.00 0.00 C ATOM 1371 O GLU C 90 -3.691 0.848 -5.073 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.933 -0.204 -6.409 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.366 -0.268 -6.901 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.462 -0.216 -8.408 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.043 -1.193 -9.064 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.960 0.795 -8.949 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.581 1.709 -4.798 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.146 -1.197 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.465 0.704 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.376 -1.046 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.830 -1.187 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.931 0.561 -6.475 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.946 -0.713 -3.489 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.610 -0.552 -2.980 1.00 0.00 C ATOM 1385 C ILE C 91 -1.728 -1.698 -3.513 1.00 0.00 C ATOM 1386 O ILE C 91 -1.779 -2.830 -3.037 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.655 -0.449 -1.421 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.342 0.085 -0.857 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -3.002 -1.782 -0.772 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.520 0.992 0.342 1.00 0.00 C ATOM 0 H ILE C 91 -4.501 -1.422 -3.009 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.157 0.376 -3.330 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.448 0.259 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -0.709 -0.756 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -0.816 0.631 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -3.022 -1.665 0.311 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -3.981 -2.112 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -2.251 -2.525 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -0.544 1.333 0.688 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.126 1.853 0.060 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -2.018 0.444 1.142 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.958 -1.400 -4.564 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.167 -2.411 -5.262 1.00 0.00 C ATOM 1404 C LYS C 92 0.922 -1.732 -6.083 1.00 0.00 C ATOM 1405 O LYS C 92 0.873 -0.529 -6.291 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.094 -3.219 -6.180 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.971 -2.340 -7.070 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.262 -1.917 -8.348 1.00 0.00 C ATOM 1409 CE LYS C 92 -1.182 -3.049 -9.359 1.00 0.00 C ATOM 1410 NZ LYS C 92 -2.519 -3.413 -9.893 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.867 -0.460 -4.950 1.00 0.00 H new ATOM 0 HA LYS C 92 0.304 -3.079 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.492 -3.875 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.732 -3.859 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -2.882 -2.881 -7.325 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.273 -1.452 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -1.789 -1.072 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.256 -1.575 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -0.531 -2.755 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -0.729 -3.922 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -2.405 -3.967 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -3.032 -3.979 -9.188 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -3.057 -2.548 -10.100 1.00 0.00 H new ATOM 1424 N GLN C 93 1.903 -2.473 -6.558 1.00 0.00 N ATOM 1425 CA GLN C 93 2.865 -1.875 -7.462 1.00 0.00 C ATOM 1426 C GLN C 93 2.594 -2.318 -8.888 1.00 0.00 C ATOM 1427 O GLN C 93 1.873 -3.290 -9.121 1.00 0.00 O ATOM 1428 CB GLN C 93 4.310 -2.121 -7.022 1.00 0.00 C ATOM 1429 CG GLN C 93 4.742 -3.568 -6.913 1.00 0.00 C ATOM 1430 CD GLN C 93 5.560 -4.002 -8.111 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.039 -4.595 -9.054 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.836 -3.645 -8.110 1.00 0.00 N ATOM 0 H GLN C 93 2.054 -3.459 -6.343 1.00 0.00 H new ATOM 0 HA GLN C 93 2.738 -0.793 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.972 -1.619 -7.727 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.458 -1.646 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN C 93 5.328 -3.705 -6.004 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.862 -4.205 -6.824 1.00 0.00 H new ATOM 0 HE21 GLN C 93 7.228 -3.154 -7.306 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.427 -3.861 -8.913 1.00 0.00 H new ATOM 1441 N ILE C 94 3.164 -1.599 -9.831 1.00 0.00 N ATOM 1442 CA ILE C 94 2.702 -1.639 -11.207 1.00 0.00 C ATOM 1443 C ILE C 94 3.671 -2.370 -12.131 1.00 0.00 C ATOM 1444 O ILE C 94 3.677 -3.616 -12.113 1.00 0.00 O ATOM 1445 CB ILE C 94 2.437 -0.197 -11.700 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.482 0.765 -11.106 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.030 0.228 -11.319 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.036 2.206 -11.003 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.407 -1.712 -12.889 1.00 0.00 O ATOM 0 H ILE C 94 3.954 -0.974 -9.671 1.00 0.00 H new ATOM 0 HA ILE C 94 1.774 -2.210 -11.235 1.00 0.00 H new ATOM 0 HB ILE C 94 2.524 -0.166 -12.786 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.755 0.413 -10.111 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.383 0.722 -11.718 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.850 1.244 -11.669 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.309 -0.448 -11.779 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.920 0.193 -10.235 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.839 2.805 -10.574 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.793 2.583 -11.996 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.155 2.269 -10.365 1.00 0.00 H new