USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=33 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 59 ASN : amide:sc= -0.173 K(o=-0.15,f=-3.2!) USER MOD Set 1.2: C 88 TYR OH : rot 180:sc= 0.018 USER MOD Set 2.1: C 35 GLN :FLIP amide:sc= -0.682 F(o=-4.5,f=-3.7) USER MOD Set 2.2: C 83 ASN :FLIP amide:sc= -3.03! C(o=-5.6!,f=-3.7!) USER MOD Set 3.1: C 77 ASN :FLIP amide:sc= -0.276 F(o=-17!,f=-8.3) USER MOD Set 3.2: C 80 ASN : amide:sc= -8.02! C(o=-8.3!,f=-12!) USER MOD Set 4.1: C 71 THR OG1 : rot -140:sc= 0.557 USER MOD Set 4.2: C 74 ASN : amide:sc= 0.928 X(o=1.5,f=1.9) USER MOD Set 5.1: C 62 LYS NZ :NH3+ -124:sc= 1.1 (180deg=-0.145) USER MOD Set 5.2: C 65 THR OG1 : rot -100:sc= 0.972 USER MOD Set 6.1: C 26 LYS NZ :NH3+ 145:sc= 1.26 (180deg=0.408) USER MOD Set 6.2: C 42 ASN : amide:sc= 0 K(o=1.3,f=-1.8!) USER MOD Set 7.1: C 21 ASN : amide:sc= 0.787 K(o=0.2,f=-1.7) USER MOD Set 7.2: C 28 SER OG : rot 180:sc= 0 USER MOD Set 7.3: C 39 THR OG1 : rot 180:sc= -0.589 USER MOD Set 8.1: C 11 ASN : amide:sc= 0.279 K(o=-0.13,f=-1.4) USER MOD Set 8.2: C 14 ASN : amide:sc= -0.406 K(o=-0.13,f=-0.71) USER MOD Single : C 9 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.26) USER MOD Single : C 10 MET CE :methyl -159:sc= -0.327 (180deg=-1.14) USER MOD Single : C 12 SER OG : rot 180:sc= 0.0355 USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= -1.48! C(o=-1.5!,f=-5.6!) USER MOD Single : C 19 LYS NZ :NH3+ -167:sc= -0.0252 (180deg=-0.196) USER MOD Single : C 22 LYS NZ :NH3+ -157:sc= -7.56! (180deg=-8.75!) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 152:sc=-0.000342 (180deg=-0.73) USER MOD Single : C 32 ASN : amide:sc= 0.0205 X(o=0.021,f=0) USER MOD Single : C 34 ASN : amide:sc=-0.00309 X(o=-0.0031,f=-0.32) USER MOD Single : C 37 LYS NZ :NH3+ 161:sc= -0.107 (180deg=-0.518) USER MOD Single : C 40 SER OG : rot 40:sc= -0.116 USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot -123:sc= 0.458 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -165:sc=-0.00947 (180deg=-0.191) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.558 F(o=-2.9,f=-0.56) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc=-0.00185 K(o=-0.0018,f=-0.89) USER MOD Single : C 69 LYS NZ :NH3+ 163:sc= -0.036 (180deg=-0.3) USER MOD Single : C 70 SER OG : rot 86:sc= 0.298 USER MOD Single : C 76 SER OG : rot 80:sc= 0.773 USER MOD Single : C 81 LYS NZ :NH3+ 154:sc=0.000111 (180deg=0) USER MOD Single : C 85 LYS NZ :NH3+ 162:sc= -0.0097 (180deg=-0.106) USER MOD Single : C 92 LYS NZ :NH3+ -176:sc= 0.155 (180deg=0.151) USER MOD Single : C 93 GLN :FLIP amide:sc= -0.0113 F(o=-1.6,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -11.171 -4.738 0.271 1.00 0.00 N ATOM 126 CA GLN C 9 -10.072 -5.042 1.205 1.00 0.00 C ATOM 127 C GLN C 9 -9.891 -6.546 1.387 1.00 0.00 C ATOM 128 O GLN C 9 -9.316 -6.993 2.379 1.00 0.00 O ATOM 129 CB GLN C 9 -10.278 -4.391 2.577 1.00 0.00 C ATOM 130 CG GLN C 9 -9.931 -2.913 2.626 1.00 0.00 C ATOM 131 CD GLN C 9 -10.864 -2.081 1.784 1.00 0.00 C ATOM 132 OE1 GLN C 9 -11.896 -1.622 2.261 1.00 0.00 O ATOM 133 NE2 GLN C 9 -10.511 -1.886 0.527 1.00 0.00 N ATOM 0 HA GLN C 9 -9.172 -4.623 0.755 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.319 -4.518 2.874 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -9.671 -4.919 3.312 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -9.970 -2.566 3.659 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -8.907 -2.770 2.280 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -9.643 -2.287 0.173 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -11.107 -1.334 -0.090 1.00 0.00 H new ATOM 142 N MET C 10 -10.418 -7.324 0.455 1.00 0.00 N ATOM 143 CA MET C 10 -10.330 -8.777 0.528 1.00 0.00 C ATOM 144 C MET C 10 -8.961 -9.263 0.049 1.00 0.00 C ATOM 145 O MET C 10 -7.946 -8.594 0.256 1.00 0.00 O ATOM 146 CB MET C 10 -11.433 -9.409 -0.322 1.00 0.00 C ATOM 147 CG MET C 10 -12.828 -8.930 0.028 1.00 0.00 C ATOM 148 SD MET C 10 -14.095 -9.681 -1.011 1.00 0.00 S ATOM 149 CE MET C 10 -13.458 -9.315 -2.644 1.00 0.00 C ATOM 0 H MET C 10 -10.913 -6.973 -0.365 1.00 0.00 H new ATOM 0 HA MET C 10 -10.458 -9.078 1.568 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.238 -9.193 -1.372 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.392 -10.492 -0.207 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.036 -9.160 1.073 1.00 0.00 H new ATOM 0 HG3 MET C 10 -12.873 -7.846 -0.075 1.00 0.00 H new ATOM 0 HE1 MET C 10 -14.268 -9.368 -3.371 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.029 -8.313 -2.651 1.00 0.00 H new ATOM 0 HE3 MET C 10 -12.688 -10.041 -2.905 1.00 0.00 H new ATOM 159 N ASN C 11 -8.939 -10.418 -0.609 1.00 0.00 N ATOM 160 CA ASN C 11 -7.692 -11.019 -1.082 1.00 0.00 C ATOM 161 C ASN C 11 -6.982 -10.116 -2.082 1.00 0.00 C ATOM 162 O ASN C 11 -5.787 -10.275 -2.333 1.00 0.00 O ATOM 163 CB ASN C 11 -7.958 -12.391 -1.703 1.00 0.00 C ATOM 164 CG ASN C 11 -8.404 -13.409 -0.675 1.00 0.00 C ATOM 165 OD1 ASN C 11 -8.019 -13.336 0.492 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.218 -14.363 -1.094 1.00 0.00 N ATOM 0 H ASN C 11 -9.774 -10.961 -0.829 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.038 -11.143 -0.219 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.723 -12.297 -2.474 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.053 -12.747 -2.195 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.550 -15.073 -0.441 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -9.514 -14.389 -2.070 1.00 0.00 H new ATOM 173 N SER C 12 -7.725 -9.168 -2.634 1.00 0.00 N ATOM 174 CA SER C 12 -7.178 -8.168 -3.535 1.00 0.00 C ATOM 175 C SER C 12 -5.973 -7.463 -2.912 1.00 0.00 C ATOM 176 O SER C 12 -4.931 -7.314 -3.550 1.00 0.00 O ATOM 177 CB SER C 12 -8.275 -7.166 -3.880 1.00 0.00 C ATOM 178 OG SER C 12 -9.086 -6.913 -2.743 1.00 0.00 O ATOM 0 H SER C 12 -8.727 -9.072 -2.468 1.00 0.00 H new ATOM 0 HA SER C 12 -6.829 -8.656 -4.445 1.00 0.00 H new ATOM 0 HB2 SER C 12 -7.830 -6.235 -4.232 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.888 -7.553 -4.694 1.00 0.00 H new ATOM 0 HG SER C 12 -9.785 -6.267 -2.977 1.00 0.00 H new ATOM 184 N ILE C 13 -6.104 -7.055 -1.652 1.00 0.00 N ATOM 185 CA ILE C 13 -5.002 -6.397 -0.967 1.00 0.00 C ATOM 186 C ILE C 13 -4.111 -7.417 -0.272 1.00 0.00 C ATOM 187 O ILE C 13 -2.928 -7.172 -0.065 1.00 0.00 O ATOM 188 CB ILE C 13 -5.467 -5.357 0.076 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.182 -6.034 1.245 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.367 -4.312 -0.565 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.200 -5.186 2.493 1.00 0.00 C ATOM 0 H ILE C 13 -6.950 -7.167 -1.094 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.447 -5.870 -1.743 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.580 -4.855 0.464 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -7.207 -6.264 0.953 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.692 -6.983 1.464 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.682 -3.591 0.189 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -5.821 -3.796 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -7.245 -4.799 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -6.721 -5.720 3.288 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.177 -4.977 2.806 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.715 -4.248 2.288 1.00 0.00 H new ATOM 203 N ASN C 14 -4.676 -8.563 0.096 1.00 0.00 N ATOM 204 CA ASN C 14 -3.907 -9.601 0.781 1.00 0.00 C ATOM 205 C ASN C 14 -2.838 -10.157 -0.139 1.00 0.00 C ATOM 206 O ASN C 14 -1.737 -10.473 0.303 1.00 0.00 O ATOM 207 CB ASN C 14 -4.794 -10.743 1.247 1.00 0.00 C ATOM 208 CG ASN C 14 -5.865 -10.315 2.230 1.00 0.00 C ATOM 209 OD1 ASN C 14 -5.698 -9.344 2.968 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.969 -11.045 2.256 1.00 0.00 N ATOM 0 H ASN C 14 -5.655 -8.797 -0.066 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.448 -9.137 1.654 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.270 -11.200 0.379 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.173 -11.509 1.710 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.720 -10.810 2.904 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -7.068 -11.842 1.628 1.00 0.00 H new ATOM 217 N SER C 15 -3.172 -10.280 -1.417 1.00 0.00 N ATOM 218 CA SER C 15 -2.199 -10.663 -2.428 1.00 0.00 C ATOM 219 C SER C 15 -1.014 -9.709 -2.368 1.00 0.00 C ATOM 220 O SER C 15 0.144 -10.120 -2.436 1.00 0.00 O ATOM 221 CB SER C 15 -2.845 -10.634 -3.819 1.00 0.00 C ATOM 222 OG SER C 15 -1.921 -11.001 -4.829 1.00 0.00 O ATOM 0 H SER C 15 -4.113 -10.119 -1.777 1.00 0.00 H new ATOM 0 HA SER C 15 -1.851 -11.678 -2.236 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.697 -11.313 -3.840 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.229 -9.634 -4.022 1.00 0.00 H new ATOM 0 HG SER C 15 -2.364 -10.974 -5.703 1.00 0.00 H new ATOM 228 N VAL C 16 -1.322 -8.430 -2.198 1.00 0.00 N ATOM 229 CA VAL C 16 -0.305 -7.409 -2.030 1.00 0.00 C ATOM 230 C VAL C 16 0.446 -7.617 -0.718 1.00 0.00 C ATOM 231 O VAL C 16 1.665 -7.443 -0.653 1.00 0.00 O ATOM 232 CB VAL C 16 -0.928 -5.997 -2.054 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.140 -4.930 -1.891 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.690 -5.784 -3.349 1.00 0.00 C ATOM 0 H VAL C 16 -2.278 -8.076 -2.173 1.00 0.00 H new ATOM 0 HA VAL C 16 0.394 -7.494 -2.862 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.621 -5.915 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.325 -3.944 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.652 -5.070 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.860 -5.009 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.125 -4.785 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.009 -5.888 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.484 -6.526 -3.430 1.00 0.00 H new ATOM 244 N ASN C 17 -0.276 -8.040 0.318 1.00 0.00 N ATOM 245 CA ASN C 17 0.336 -8.245 1.628 1.00 0.00 C ATOM 246 C ASN C 17 1.309 -9.417 1.587 1.00 0.00 C ATOM 247 O ASN C 17 2.334 -9.408 2.266 1.00 0.00 O ATOM 248 CB ASN C 17 -0.723 -8.487 2.711 1.00 0.00 C ATOM 249 CG ASN C 17 -1.368 -7.207 3.220 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.868 -6.573 4.149 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.486 -6.818 2.627 1.00 0.00 N ATOM 0 H ASN C 17 -1.274 -8.245 0.277 1.00 0.00 H new ATOM 0 HA ASN C 17 0.881 -7.335 1.880 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.498 -9.142 2.312 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.263 -9.011 3.548 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.959 -5.970 2.938 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.874 -7.367 1.860 1.00 0.00 H new ATOM 258 N ASP C 18 0.993 -10.414 0.771 1.00 0.00 N ATOM 259 CA ASP C 18 1.820 -11.613 0.653 1.00 0.00 C ATOM 260 C ASP C 18 3.025 -11.379 -0.251 1.00 0.00 C ATOM 261 O ASP C 18 4.000 -12.130 -0.206 1.00 0.00 O ATOM 262 CB ASP C 18 0.996 -12.791 0.117 1.00 0.00 C ATOM 263 CG ASP C 18 -0.013 -13.310 1.123 1.00 0.00 C ATOM 264 OD1 ASP C 18 0.378 -13.557 2.285 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.199 -13.495 0.755 1.00 0.00 O1- ATOM 0 H ASP C 18 0.164 -10.418 0.176 1.00 0.00 H new ATOM 0 HA ASP C 18 2.183 -11.852 1.653 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.473 -12.481 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.669 -13.600 -0.166 1.00 0.00 H new ATOM 270 N LYS C 19 2.961 -10.339 -1.072 1.00 0.00 N ATOM 271 CA LYS C 19 4.045 -10.041 -2.000 1.00 0.00 C ATOM 272 C LYS C 19 5.056 -9.103 -1.361 1.00 0.00 C ATOM 273 O LYS C 19 6.263 -9.239 -1.555 1.00 0.00 O ATOM 274 CB LYS C 19 3.502 -9.422 -3.290 1.00 0.00 C ATOM 275 CG LYS C 19 2.710 -10.394 -4.150 1.00 0.00 C ATOM 276 CD LYS C 19 2.165 -9.718 -5.399 1.00 0.00 C ATOM 277 CE LYS C 19 1.406 -10.697 -6.281 1.00 0.00 C ATOM 278 NZ LYS C 19 2.283 -11.783 -6.794 1.00 0.00 N1+ ATOM 0 H LYS C 19 2.175 -9.691 -1.115 1.00 0.00 H new ATOM 0 HA LYS C 19 4.542 -10.979 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.866 -8.574 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS C 19 4.336 -9.031 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS C 19 3.348 -11.230 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS C 19 1.885 -10.806 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS C 19 1.505 -8.900 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS C 19 2.988 -9.280 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS C 19 0.584 -11.133 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS C 19 0.965 -10.161 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 1.793 -12.295 -7.555 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 3.164 -11.372 -7.164 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 2.507 -12.443 -6.022 1.00 0.00 H new ATOM 292 N LEU C 20 4.548 -8.150 -0.597 1.00 0.00 N ATOM 293 CA LEU C 20 5.384 -7.153 0.050 1.00 0.00 C ATOM 294 C LEU C 20 6.021 -7.712 1.317 1.00 0.00 C ATOM 295 O LEU C 20 7.168 -7.397 1.633 1.00 0.00 O ATOM 296 CB LEU C 20 4.548 -5.914 0.365 1.00 0.00 C ATOM 297 CG LEU C 20 3.931 -5.216 -0.854 1.00 0.00 C ATOM 298 CD1 LEU C 20 3.215 -3.947 -0.434 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.998 -4.902 -1.893 1.00 0.00 C ATOM 0 H LEU C 20 3.551 -8.046 -0.409 1.00 0.00 H new ATOM 0 HA LEU C 20 6.191 -6.876 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.745 -6.200 1.045 1.00 0.00 H new ATOM 0 HB3 LEU C 20 5.175 -5.197 0.895 1.00 0.00 H new ATOM 0 HG LEU C 20 3.204 -5.894 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.784 -3.465 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.422 -4.193 0.272 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.924 -3.269 0.040 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.538 -4.407 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.750 -4.246 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.471 -5.828 -2.220 1.00 0.00 H new ATOM 311 N ASN C 21 5.283 -8.546 2.038 1.00 0.00 N ATOM 312 CA ASN C 21 5.832 -9.233 3.201 1.00 0.00 C ATOM 313 C ASN C 21 6.619 -10.457 2.741 1.00 0.00 C ATOM 314 O ASN C 21 6.165 -11.593 2.862 1.00 0.00 O ATOM 315 CB ASN C 21 4.721 -9.634 4.185 1.00 0.00 C ATOM 316 CG ASN C 21 4.174 -8.453 4.975 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.691 -8.117 6.038 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.118 -7.822 4.479 1.00 0.00 N ATOM 0 H ASN C 21 4.306 -8.763 1.840 1.00 0.00 H new ATOM 0 HA ASN C 21 6.502 -8.554 3.728 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.907 -10.104 3.634 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.109 -10.380 4.879 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.712 -7.033 4.983 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.712 -8.125 3.594 1.00 0.00 H new ATOM 325 N LYS C 22 7.802 -10.200 2.200 1.00 0.00 N ATOM 326 CA LYS C 22 8.607 -11.234 1.555 1.00 0.00 C ATOM 327 C LYS C 22 9.880 -11.567 2.333 1.00 0.00 C ATOM 328 O LYS C 22 10.434 -12.655 2.191 1.00 0.00 O ATOM 329 CB LYS C 22 8.960 -10.789 0.129 1.00 0.00 C ATOM 330 CG LYS C 22 9.147 -9.278 -0.024 1.00 0.00 C ATOM 331 CD LYS C 22 10.392 -8.759 0.684 1.00 0.00 C ATOM 332 CE LYS C 22 10.416 -7.239 0.725 1.00 0.00 C ATOM 333 NZ LYS C 22 10.102 -6.657 -0.599 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.231 -9.275 2.194 1.00 0.00 H new ATOM 0 HA LYS C 22 8.009 -12.145 1.530 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.876 -11.291 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.172 -11.118 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS C 22 9.208 -9.030 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.270 -8.767 0.373 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.425 -9.152 1.700 1.00 0.00 H new ATOM 0 HD3 LYS C 22 11.282 -9.124 0.172 1.00 0.00 H new ATOM 0 HE2 LYS C 22 9.695 -6.882 1.461 1.00 0.00 H new ATOM 0 HE3 LYS C 22 11.399 -6.898 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 10.491 -5.694 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 10.523 -7.246 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 9.070 -6.621 -0.727 1.00 0.00 H new ATOM 347 N GLY C 23 10.335 -10.635 3.155 1.00 0.00 N ATOM 348 CA GLY C 23 11.602 -10.801 3.838 1.00 0.00 C ATOM 349 C GLY C 23 12.081 -9.495 4.419 1.00 0.00 C ATOM 350 O GLY C 23 11.906 -9.246 5.609 1.00 0.00 O ATOM 0 H GLY C 23 9.848 -9.763 3.363 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.496 -11.539 4.633 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.346 -11.187 3.142 1.00 0.00 H new ATOM 354 N LYS C 24 12.669 -8.651 3.579 1.00 0.00 N ATOM 355 CA LYS C 24 13.033 -7.301 3.977 1.00 0.00 C ATOM 356 C LYS C 24 11.786 -6.425 4.079 1.00 0.00 C ATOM 357 O LYS C 24 10.679 -6.947 4.218 1.00 0.00 O ATOM 358 CB LYS C 24 14.025 -6.715 2.979 1.00 0.00 C ATOM 359 CG LYS C 24 15.375 -6.391 3.587 1.00 0.00 C ATOM 360 CD LYS C 24 16.411 -6.144 2.511 1.00 0.00 C ATOM 361 CE LYS C 24 17.651 -5.473 3.079 1.00 0.00 C ATOM 362 NZ LYS C 24 18.702 -5.267 2.049 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.904 -8.882 2.614 1.00 0.00 H new ATOM 0 HA LYS C 24 13.507 -7.334 4.958 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.164 -7.421 2.160 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.602 -5.807 2.549 1.00 0.00 H new ATOM 0 HG2 LYS C 24 15.289 -5.510 4.223 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.697 -7.214 4.225 1.00 0.00 H new ATOM 0 HD2 LYS C 24 16.688 -7.090 2.046 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.983 -5.518 1.728 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.375 -4.511 3.511 1.00 0.00 H new ATOM 0 HE3 LYS C 24 18.053 -6.083 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 19.528 -4.807 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.986 -6.186 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.329 -4.663 1.288 1.00 0.00 H new ATOM 376 N GLY C 25 11.977 -5.106 4.007 1.00 0.00 N ATOM 377 CA GLY C 25 10.897 -4.152 4.224 1.00 0.00 C ATOM 378 C GLY C 25 9.588 -4.535 3.600 1.00 0.00 C ATOM 379 O GLY C 25 9.537 -5.037 2.478 1.00 0.00 O ATOM 0 H GLY C 25 12.878 -4.676 3.798 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.750 -4.028 5.297 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.202 -3.183 3.830 1.00 0.00 H new ATOM 383 N LYS C 26 8.523 -4.256 4.314 1.00 0.00 N ATOM 384 CA LYS C 26 7.242 -4.803 3.956 1.00 0.00 C ATOM 385 C LYS C 26 6.099 -3.886 4.354 1.00 0.00 C ATOM 386 O LYS C 26 6.123 -3.274 5.418 1.00 0.00 O ATOM 387 CB LYS C 26 7.139 -6.161 4.623 1.00 0.00 C ATOM 388 CG LYS C 26 7.273 -6.116 6.141 1.00 0.00 C ATOM 389 CD LYS C 26 7.697 -7.467 6.684 1.00 0.00 C ATOM 390 CE LYS C 26 9.211 -7.575 6.736 1.00 0.00 C ATOM 391 NZ LYS C 26 9.659 -8.950 7.074 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.520 -3.658 5.140 1.00 0.00 H new ATOM 0 HA LYS C 26 7.162 -4.904 2.874 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.179 -6.609 4.366 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.914 -6.813 4.219 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.005 -5.359 6.424 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.322 -5.822 6.586 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.283 -7.609 7.682 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.292 -8.260 6.055 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.629 -7.284 5.772 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.599 -6.875 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.539 -9.164 6.562 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.829 -9.018 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 8.924 -9.632 6.799 1.00 0.00 H new ATOM 405 N LEU C 27 5.110 -3.795 3.480 1.00 0.00 N ATOM 406 CA LEU C 27 3.972 -2.914 3.681 1.00 0.00 C ATOM 407 C LEU C 27 2.735 -3.749 4.002 1.00 0.00 C ATOM 408 O LEU C 27 2.393 -4.671 3.260 1.00 0.00 O ATOM 409 CB LEU C 27 3.754 -2.080 2.402 1.00 0.00 C ATOM 410 CG LEU C 27 2.832 -0.854 2.507 1.00 0.00 C ATOM 411 CD1 LEU C 27 2.982 0.013 1.266 1.00 0.00 C ATOM 412 CD2 LEU C 27 1.376 -1.260 2.664 1.00 0.00 C ATOM 0 H LEU C 27 5.074 -4.329 2.612 1.00 0.00 H new ATOM 0 HA LEU C 27 4.158 -2.239 4.516 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.728 -1.740 2.051 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.351 -2.740 1.634 1.00 0.00 H new ATOM 0 HG LEU C 27 3.127 -0.292 3.393 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.326 0.880 1.346 1.00 0.00 H new ATOM 0 HD12 LEU C 27 4.016 0.347 1.178 1.00 0.00 H new ATOM 0 HD13 LEU C 27 2.712 -0.566 0.383 1.00 0.00 H new ATOM 0 HD21 LEU C 27 0.755 -0.367 2.735 1.00 0.00 H new ATOM 0 HD22 LEU C 27 1.067 -1.849 1.800 1.00 0.00 H new ATOM 0 HD23 LEU C 27 1.260 -1.856 3.569 1.00 0.00 H new ATOM 424 N SER C 28 2.090 -3.444 5.116 1.00 0.00 N ATOM 425 CA SER C 28 0.853 -4.113 5.484 1.00 0.00 C ATOM 426 C SER C 28 -0.339 -3.193 5.223 1.00 0.00 C ATOM 427 O SER C 28 -0.390 -2.076 5.735 1.00 0.00 O ATOM 428 CB SER C 28 0.900 -4.518 6.953 1.00 0.00 C ATOM 429 OG SER C 28 2.053 -5.299 7.215 1.00 0.00 O ATOM 0 H SER C 28 2.403 -2.737 5.782 1.00 0.00 H new ATOM 0 HA SER C 28 0.738 -5.010 4.876 1.00 0.00 H new ATOM 0 HB2 SER C 28 0.906 -3.628 7.582 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.004 -5.084 7.209 1.00 0.00 H new ATOM 0 HG SER C 28 2.070 -5.550 8.162 1.00 0.00 H new ATOM 435 N LEU C 29 -1.283 -3.671 4.428 1.00 0.00 N ATOM 436 CA LEU C 29 -2.421 -2.861 3.996 1.00 0.00 C ATOM 437 C LEU C 29 -3.612 -3.073 4.898 1.00 0.00 C ATOM 438 O LEU C 29 -3.943 -4.212 5.232 1.00 0.00 O ATOM 439 CB LEU C 29 -2.832 -3.215 2.559 1.00 0.00 C ATOM 440 CG LEU C 29 -1.798 -2.956 1.455 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.642 -3.943 1.529 1.00 0.00 C ATOM 442 CD2 LEU C 29 -2.469 -3.041 0.095 1.00 0.00 C ATOM 0 H LEU C 29 -1.287 -4.624 4.064 1.00 0.00 H new ATOM 0 HA LEU C 29 -2.107 -1.818 4.044 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.098 -4.272 2.533 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.734 -2.654 2.317 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.390 -1.956 1.601 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.070 -3.729 0.732 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -0.145 -3.850 2.495 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -1.022 -4.958 1.413 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -1.732 -2.857 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -2.898 -4.034 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -3.260 -2.293 0.032 1.00 0.00 H new ATOM 454 N SER C 30 -4.258 -1.985 5.302 1.00 0.00 N ATOM 455 CA SER C 30 -5.518 -2.104 5.991 1.00 0.00 C ATOM 456 C SER C 30 -6.303 -0.796 5.912 1.00 0.00 C ATOM 457 O SER C 30 -5.728 0.293 5.968 1.00 0.00 O ATOM 458 CB SER C 30 -5.298 -2.520 7.450 1.00 0.00 C ATOM 459 OG SER C 30 -6.493 -3.013 8.034 1.00 0.00 O ATOM 0 H SER C 30 -3.929 -1.029 5.163 1.00 0.00 H new ATOM 0 HA SER C 30 -6.104 -2.881 5.500 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.525 -3.286 7.499 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.937 -1.666 8.023 1.00 0.00 H new ATOM 0 HG SER C 30 -6.320 -3.272 8.963 1.00 0.00 H new ATOM 465 N MET C 31 -7.615 -0.914 5.768 1.00 0.00 N ATOM 466 CA MET C 31 -8.491 0.248 5.706 1.00 0.00 C ATOM 467 C MET C 31 -9.246 0.426 7.014 1.00 0.00 C ATOM 468 O MET C 31 -9.721 -0.545 7.607 1.00 0.00 O ATOM 469 CB MET C 31 -9.482 0.115 4.550 1.00 0.00 C ATOM 470 CG MET C 31 -9.547 1.338 3.651 1.00 0.00 C ATOM 471 SD MET C 31 -10.241 2.775 4.495 1.00 0.00 S ATOM 472 CE MET C 31 -10.183 3.996 3.189 1.00 0.00 C ATOM 0 H MET C 31 -8.099 -1.809 5.691 1.00 0.00 H new ATOM 0 HA MET C 31 -7.869 1.127 5.538 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.209 -0.752 3.948 1.00 0.00 H new ATOM 0 HB3 MET C 31 -10.475 -0.079 4.956 1.00 0.00 H new ATOM 0 HG2 MET C 31 -8.545 1.578 3.295 1.00 0.00 H new ATOM 0 HG3 MET C 31 -10.151 1.109 2.773 1.00 0.00 H new ATOM 0 HE1 MET C 31 -10.974 4.730 3.342 1.00 0.00 H new ATOM 0 HE2 MET C 31 -9.215 4.498 3.203 1.00 0.00 H new ATOM 0 HE3 MET C 31 -10.324 3.506 2.226 1.00 0.00 H new ATOM 482 N ASN C 32 -9.346 1.666 7.459 1.00 0.00 N ATOM 483 CA ASN C 32 -10.085 1.989 8.668 1.00 0.00 C ATOM 484 C ASN C 32 -10.922 3.240 8.441 1.00 0.00 C ATOM 485 O ASN C 32 -10.459 4.355 8.681 1.00 0.00 O ATOM 486 CB ASN C 32 -9.119 2.215 9.837 1.00 0.00 C ATOM 487 CG ASN C 32 -9.833 2.345 11.173 1.00 0.00 C ATOM 488 OD1 ASN C 32 -10.023 1.358 11.881 1.00 0.00 O ATOM 489 ND2 ASN C 32 -10.228 3.558 11.528 1.00 0.00 N ATOM 0 H ASN C 32 -8.922 2.471 6.998 1.00 0.00 H new ATOM 0 HA ASN C 32 -10.743 1.155 8.912 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -8.414 1.385 9.886 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -8.536 3.117 9.652 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -10.709 3.698 12.417 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.052 4.352 10.913 1.00 0.00 H new ATOM 496 N GLY C 33 -12.151 3.045 7.975 1.00 0.00 N ATOM 497 CA GLY C 33 -13.058 4.159 7.753 1.00 0.00 C ATOM 498 C GLY C 33 -12.561 5.133 6.693 1.00 0.00 C ATOM 499 O GLY C 33 -12.808 4.942 5.503 1.00 0.00 O ATOM 0 H GLY C 33 -12.538 2.130 7.745 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.032 3.772 7.454 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.202 4.695 8.691 1.00 0.00 H new ATOM 503 N ASN C 34 -11.862 6.175 7.123 1.00 0.00 N ATOM 504 CA ASN C 34 -11.360 7.208 6.219 1.00 0.00 C ATOM 505 C ASN C 34 -9.838 7.196 6.200 1.00 0.00 C ATOM 506 O ASN C 34 -9.195 8.230 6.022 1.00 0.00 O ATOM 507 CB ASN C 34 -11.849 8.590 6.657 1.00 0.00 C ATOM 508 CG ASN C 34 -11.484 8.912 8.096 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.331 8.867 8.989 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.209 9.167 8.342 1.00 0.00 N ATOM 0 H ASN C 34 -11.626 6.330 8.103 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.738 6.997 5.219 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.421 9.347 6.000 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.932 8.642 6.541 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -9.898 9.335 9.299 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.537 9.196 7.575 1.00 0.00 H new ATOM 517 N GLN C 35 -9.267 6.030 6.395 1.00 0.00 N ATOM 518 CA GLN C 35 -7.839 5.908 6.577 1.00 0.00 C ATOM 519 C GLN C 35 -7.299 4.644 5.941 1.00 0.00 C ATOM 520 O GLN C 35 -7.749 3.540 6.241 1.00 0.00 O ATOM 521 CB GLN C 35 -7.501 5.889 8.063 1.00 0.00 C ATOM 522 CG GLN C 35 -6.060 5.497 8.339 1.00 0.00 C ATOM 523 CD GLN C 35 -5.806 5.228 9.804 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.021 3.992 10.220 1.00 0.00 O flip ATOM 525 NE2 GLN C 35 -5.428 6.125 10.556 1.00 0.00 N flip ATOM 0 H GLN C 35 -9.774 5.146 6.432 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.376 6.768 6.093 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -7.691 6.876 8.486 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.166 5.191 8.572 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -5.811 4.607 7.761 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -5.398 6.293 7.999 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -5.275 7.065 10.192 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -5.268 5.929 11.544 1.00 0.00 H new ATOM 534 N LEU C 36 -6.329 4.816 5.069 1.00 0.00 N ATOM 535 CA LEU C 36 -5.532 3.709 4.596 1.00 0.00 C ATOM 536 C LEU C 36 -4.266 3.667 5.441 1.00 0.00 C ATOM 537 O LEU C 36 -3.380 4.509 5.288 1.00 0.00 O ATOM 538 CB LEU C 36 -5.216 3.890 3.103 1.00 0.00 C ATOM 539 CG LEU C 36 -4.654 2.665 2.352 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.221 2.359 2.765 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.539 1.444 2.569 1.00 0.00 C ATOM 0 H LEU C 36 -6.073 5.720 4.672 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.067 2.764 4.694 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.130 4.206 2.599 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.499 4.705 3.005 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.649 2.911 1.290 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.861 1.490 2.214 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.587 3.217 2.543 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.187 2.150 3.834 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -5.123 0.593 2.030 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.585 1.212 3.633 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.543 1.652 2.199 1.00 0.00 H new ATOM 553 N LYS C 37 -4.201 2.714 6.356 1.00 0.00 N ATOM 554 CA LYS C 37 -3.075 2.623 7.269 1.00 0.00 C ATOM 555 C LYS C 37 -2.140 1.549 6.751 1.00 0.00 C ATOM 556 O LYS C 37 -2.586 0.568 6.149 1.00 0.00 O ATOM 557 CB LYS C 37 -3.548 2.316 8.706 1.00 0.00 C ATOM 558 CG LYS C 37 -4.148 0.924 8.923 1.00 0.00 C ATOM 559 CD LYS C 37 -3.093 -0.136 9.253 1.00 0.00 C ATOM 560 CE LYS C 37 -2.535 0.006 10.666 1.00 0.00 C ATOM 561 NZ LYS C 37 -3.606 -0.006 11.695 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.913 1.995 6.486 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.550 3.577 7.314 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.701 2.436 9.381 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.291 3.061 8.991 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -4.875 0.970 9.734 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -4.689 0.623 8.026 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.532 -1.127 9.138 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -2.276 -0.064 8.535 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -1.836 -0.807 10.862 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -1.972 0.936 10.741 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -3.193 -0.230 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.060 0.929 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -4.316 -0.725 11.449 1.00 0.00 H new ATOM 575 N ALA C 38 -0.856 1.730 6.959 1.00 0.00 N ATOM 576 CA ALA C 38 0.115 0.799 6.432 1.00 0.00 C ATOM 577 C ALA C 38 1.326 0.729 7.331 1.00 0.00 C ATOM 578 O ALA C 38 2.019 1.723 7.532 1.00 0.00 O ATOM 579 CB ALA C 38 0.514 1.210 5.026 1.00 0.00 C ATOM 0 H ALA C 38 -0.461 2.509 7.486 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.334 -0.194 6.393 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.246 0.504 4.635 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.367 1.213 4.384 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.949 2.209 5.049 1.00 0.00 H new ATOM 585 N THR C 39 1.580 -0.446 7.868 1.00 0.00 N ATOM 586 CA THR C 39 2.721 -0.641 8.731 1.00 0.00 C ATOM 587 C THR C 39 3.859 -1.267 7.949 1.00 0.00 C ATOM 588 O THR C 39 3.638 -2.124 7.090 1.00 0.00 O ATOM 589 CB THR C 39 2.372 -1.535 9.936 1.00 0.00 C ATOM 590 OG1 THR C 39 1.964 -2.828 9.477 1.00 0.00 O ATOM 591 CG2 THR C 39 1.262 -0.917 10.773 1.00 0.00 C ATOM 0 H THR C 39 1.010 -1.279 7.721 1.00 0.00 H new ATOM 0 HA THR C 39 3.024 0.336 9.108 1.00 0.00 H new ATOM 0 HB THR C 39 3.261 -1.629 10.560 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.745 -3.394 10.246 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.036 -1.569 11.617 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.584 0.056 11.143 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.369 -0.795 10.160 1.00 0.00 H new ATOM 599 N SER C 40 5.065 -0.829 8.236 1.00 0.00 N ATOM 600 CA SER C 40 6.239 -1.340 7.564 1.00 0.00 C ATOM 601 C SER C 40 7.149 -2.031 8.560 1.00 0.00 C ATOM 602 O SER C 40 7.625 -1.416 9.517 1.00 0.00 O ATOM 603 CB SER C 40 6.971 -0.201 6.863 1.00 0.00 C ATOM 604 OG SER C 40 7.187 0.882 7.748 1.00 0.00 O ATOM 0 H SER C 40 5.259 -0.114 8.937 1.00 0.00 H new ATOM 0 HA SER C 40 5.935 -2.070 6.814 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.927 -0.559 6.480 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.390 0.136 6.005 1.00 0.00 H new ATOM 0 HG SER C 40 7.436 0.538 8.631 1.00 0.00 H new ATOM 610 N SER C 41 7.380 -3.311 8.352 1.00 0.00 N ATOM 611 CA SER C 41 8.259 -4.048 9.228 1.00 0.00 C ATOM 612 C SER C 41 9.681 -4.022 8.690 1.00 0.00 C ATOM 613 O SER C 41 9.923 -3.488 7.600 1.00 0.00 O ATOM 614 CB SER C 41 7.768 -5.476 9.421 1.00 0.00 C ATOM 615 OG SER C 41 6.449 -5.495 9.939 1.00 0.00 O ATOM 0 H SER C 41 6.975 -3.856 7.591 1.00 0.00 H new ATOM 0 HA SER C 41 8.255 -3.567 10.206 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.796 -6.006 8.469 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.437 -6.005 10.100 1.00 0.00 H new ATOM 0 HG SER C 41 6.155 -6.423 10.053 1.00 0.00 H new ATOM 621 N ASN C 42 10.600 -4.611 9.459 1.00 0.00 N ATOM 622 CA ASN C 42 12.038 -4.493 9.216 1.00 0.00 C ATOM 623 C ASN C 42 12.498 -3.093 9.579 1.00 0.00 C ATOM 624 O ASN C 42 13.350 -2.512 8.912 1.00 0.00 O ATOM 625 CB ASN C 42 12.416 -4.836 7.769 1.00 0.00 C ATOM 626 CG ASN C 42 12.990 -6.233 7.638 1.00 0.00 C ATOM 627 OD1 ASN C 42 12.255 -7.213 7.527 1.00 0.00 O ATOM 628 ND2 ASN C 42 14.311 -6.332 7.630 1.00 0.00 N ATOM 0 H ASN C 42 10.366 -5.184 10.270 1.00 0.00 H new ATOM 0 HA ASN C 42 12.548 -5.220 9.848 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.534 -4.748 7.135 1.00 0.00 H new ATOM 0 HB3 ASN C 42 13.144 -4.111 7.405 1.00 0.00 H new ATOM 0 HD21 ASN C 42 14.753 -7.246 7.529 1.00 0.00 H new ATOM 0 HD22 ASN C 42 14.886 -5.495 7.725 1.00 0.00 H new ATOM 635 N ALA C 43 11.884 -2.556 10.636 1.00 0.00 N ATOM 636 CA ALA C 43 12.258 -1.262 11.206 1.00 0.00 C ATOM 637 C ALA C 43 12.198 -0.133 10.180 1.00 0.00 C ATOM 638 O ALA C 43 13.018 0.788 10.203 1.00 0.00 O ATOM 639 CB ALA C 43 13.640 -1.345 11.835 1.00 0.00 C ATOM 0 H ALA C 43 11.110 -3.010 11.122 1.00 0.00 H new ATOM 0 HA ALA C 43 11.527 -1.024 11.978 1.00 0.00 H new ATOM 0 HB1 ALA C 43 13.907 -0.376 12.256 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.635 -2.095 12.626 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.370 -1.624 11.075 1.00 0.00 H new ATOM 645 N GLY C 44 11.233 -0.214 9.275 1.00 0.00 N ATOM 646 CA GLY C 44 11.025 0.851 8.310 1.00 0.00 C ATOM 647 C GLY C 44 12.085 0.894 7.228 1.00 0.00 C ATOM 648 O GLY C 44 12.173 1.872 6.483 1.00 0.00 O ATOM 0 H GLY C 44 10.588 -1.000 9.190 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.047 0.726 7.846 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.010 1.808 8.832 1.00 0.00 H new ATOM 652 N TYR C 45 12.895 -0.156 7.138 1.00 0.00 N ATOM 653 CA TYR C 45 13.907 -0.244 6.095 1.00 0.00 C ATOM 654 C TYR C 45 13.265 -0.446 4.734 1.00 0.00 C ATOM 655 O TYR C 45 12.040 -0.512 4.612 1.00 0.00 O ATOM 656 CB TYR C 45 14.899 -1.374 6.376 1.00 0.00 C ATOM 657 CG TYR C 45 16.041 -0.963 7.287 1.00 0.00 C ATOM 658 CD1 TYR C 45 15.941 -1.072 8.669 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.224 -0.455 6.758 1.00 0.00 C ATOM 660 CE1 TYR C 45 16.981 -0.687 9.494 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.267 -0.071 7.576 1.00 0.00 C ATOM 662 CZ TYR C 45 18.140 -0.189 8.942 1.00 0.00 C ATOM 663 OH TYR C 45 19.176 0.200 9.760 1.00 0.00 O ATOM 0 H TYR C 45 12.870 -0.954 7.773 1.00 0.00 H new ATOM 0 HA TYR C 45 14.453 0.699 6.091 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.366 -2.210 6.829 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.309 -1.731 5.431 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.035 -1.464 9.106 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.328 -0.360 5.687 1.00 0.00 H new ATOM 0 HE1 TYR C 45 16.885 -0.776 10.566 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.178 0.320 7.147 1.00 0.00 H new ATOM 0 HH TYR C 45 19.920 0.527 9.212 1.00 0.00 H new ATOM 673 N GLY C 46 14.096 -0.544 3.715 1.00 0.00 N ATOM 674 CA GLY C 46 13.591 -0.658 2.374 1.00 0.00 C ATOM 675 C GLY C 46 13.423 -2.087 1.923 1.00 0.00 C ATOM 676 O GLY C 46 13.850 -3.026 2.599 1.00 0.00 O ATOM 0 H GLY C 46 15.113 -0.546 3.795 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.630 -0.148 2.310 1.00 0.00 H new ATOM 0 HA3 GLY C 46 14.270 -0.146 1.692 1.00 0.00 H new ATOM 680 N ILE C 47 12.769 -2.231 0.784 1.00 0.00 N ATOM 681 CA ILE C 47 12.605 -3.513 0.118 1.00 0.00 C ATOM 682 C ILE C 47 13.934 -4.177 -0.101 1.00 0.00 C ATOM 683 O ILE C 47 14.215 -5.249 0.423 1.00 0.00 O ATOM 684 CB ILE C 47 12.007 -3.306 -1.272 1.00 0.00 C ATOM 685 CG1 ILE C 47 10.633 -2.648 -1.177 1.00 0.00 C ATOM 686 CG2 ILE C 47 11.960 -4.604 -2.067 1.00 0.00 C ATOM 687 CD1 ILE C 47 9.615 -3.414 -0.358 1.00 0.00 C ATOM 0 H ILE C 47 12.332 -1.453 0.289 1.00 0.00 H new ATOM 0 HA ILE C 47 11.962 -4.123 0.752 1.00 0.00 H new ATOM 0 HB ILE C 47 12.663 -2.629 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE C 47 10.751 -1.654 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE C 47 10.240 -2.513 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE C 47 11.528 -4.413 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE C 47 12.970 -4.995 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.348 -5.333 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE C 47 8.671 -2.869 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.461 -4.399 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE C 47 9.980 -3.526 0.663 1.00 0.00 H new ATOM 699 N SER C 48 14.729 -3.523 -0.916 1.00 0.00 N ATOM 700 CA SER C 48 15.962 -4.079 -1.368 1.00 0.00 C ATOM 701 C SER C 48 16.706 -3.037 -2.190 1.00 0.00 C ATOM 702 O SER C 48 16.481 -1.838 -2.025 1.00 0.00 O ATOM 703 CB SER C 48 15.679 -5.344 -2.193 1.00 0.00 C ATOM 704 OG SER C 48 16.868 -6.067 -2.475 1.00 0.00 O ATOM 0 H SER C 48 14.530 -2.591 -1.279 1.00 0.00 H new ATOM 0 HA SER C 48 16.587 -4.360 -0.520 1.00 0.00 H new ATOM 0 HB2 SER C 48 14.984 -5.985 -1.649 1.00 0.00 H new ATOM 0 HB3 SER C 48 15.192 -5.067 -3.128 1.00 0.00 H new ATOM 0 HG SER C 48 16.964 -6.173 -3.444 1.00 0.00 H new ATOM 710 N TYR C 49 17.575 -3.485 -3.070 1.00 0.00 N ATOM 711 CA TYR C 49 18.306 -2.584 -3.942 1.00 0.00 C ATOM 712 C TYR C 49 17.506 -2.314 -5.213 1.00 0.00 C ATOM 713 O TYR C 49 17.775 -1.364 -5.948 1.00 0.00 O ATOM 714 CB TYR C 49 19.653 -3.203 -4.294 1.00 0.00 C ATOM 715 CG TYR C 49 20.511 -3.515 -3.080 1.00 0.00 C ATOM 716 CD1 TYR C 49 20.671 -2.577 -2.067 1.00 0.00 C ATOM 717 CD2 TYR C 49 21.159 -4.744 -2.940 1.00 0.00 C ATOM 718 CE1 TYR C 49 21.442 -2.848 -0.953 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.932 -5.019 -1.828 1.00 0.00 C ATOM 720 CZ TYR C 49 22.070 -4.070 -0.839 1.00 0.00 C ATOM 721 OH TYR C 49 22.840 -4.344 0.268 1.00 0.00 O ATOM 0 H TYR C 49 17.795 -4.472 -3.203 1.00 0.00 H new ATOM 0 HA TYR C 49 18.466 -1.637 -3.426 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.486 -4.121 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.197 -2.522 -4.949 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.183 -1.617 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR C 49 21.054 -5.491 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR C 49 21.552 -2.106 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR C 49 22.426 -5.975 -1.735 1.00 0.00 H new ATOM 0 HH TYR C 49 23.211 -5.248 0.193 1.00 0.00 H new ATOM 731 N GLU C 50 16.513 -3.156 -5.450 1.00 0.00 N ATOM 732 CA GLU C 50 15.719 -3.093 -6.667 1.00 0.00 C ATOM 733 C GLU C 50 14.605 -2.061 -6.552 1.00 0.00 C ATOM 734 O GLU C 50 13.826 -2.077 -5.599 1.00 0.00 O ATOM 735 CB GLU C 50 15.113 -4.463 -6.960 1.00 0.00 C ATOM 736 CG GLU C 50 16.146 -5.562 -7.133 1.00 0.00 C ATOM 737 CD GLU C 50 15.510 -6.911 -7.380 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.318 -7.276 -8.556 1.00 0.00 O ATOM 739 OE2 GLU C 50 15.194 -7.613 -6.398 1.00 0.00 O1- ATOM 0 H GLU C 50 16.236 -3.899 -4.808 1.00 0.00 H new ATOM 0 HA GLU C 50 16.378 -2.795 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.439 -4.734 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU C 50 14.510 -4.398 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU C 50 16.802 -5.313 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU C 50 16.771 -5.615 -6.241 1.00 0.00 H new ATOM 746 N ASP C 51 14.532 -1.164 -7.524 1.00 0.00 N ATOM 747 CA ASP C 51 13.459 -0.181 -7.571 1.00 0.00 C ATOM 748 C ASP C 51 12.305 -0.719 -8.398 1.00 0.00 C ATOM 749 O ASP C 51 12.512 -1.357 -9.432 1.00 0.00 O ATOM 750 CB ASP C 51 13.941 1.152 -8.160 1.00 0.00 C ATOM 751 CG ASP C 51 14.296 1.058 -9.630 1.00 0.00 C ATOM 752 OD1 ASP C 51 13.470 1.463 -10.477 1.00 0.00 O ATOM 753 OD2 ASP C 51 15.406 0.580 -9.947 1.00 0.00 O1- ATOM 0 H ASP C 51 15.202 -1.096 -8.290 1.00 0.00 H new ATOM 0 HA ASP C 51 13.127 0.003 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.163 1.904 -8.028 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.813 1.495 -7.603 1.00 0.00 H new ATOM 758 N LYS C 52 11.093 -0.481 -7.933 1.00 0.00 N ATOM 759 CA LYS C 52 9.905 -0.927 -8.640 1.00 0.00 C ATOM 760 C LYS C 52 8.996 0.256 -8.875 1.00 0.00 C ATOM 761 O LYS C 52 9.087 1.262 -8.167 1.00 0.00 O ATOM 762 CB LYS C 52 9.135 -1.982 -7.844 1.00 0.00 C ATOM 763 CG LYS C 52 10.006 -2.976 -7.095 1.00 0.00 C ATOM 764 CD LYS C 52 10.898 -3.789 -8.025 1.00 0.00 C ATOM 765 CE LYS C 52 10.111 -4.836 -8.798 1.00 0.00 C ATOM 766 NZ LYS C 52 9.624 -5.927 -7.913 1.00 0.00 N1+ ATOM 0 H LYS C 52 10.904 0.021 -7.065 1.00 0.00 H new ATOM 0 HA LYS C 52 10.223 -1.371 -9.583 1.00 0.00 H new ATOM 0 HB2 LYS C 52 8.488 -1.476 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.487 -2.531 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.628 -2.441 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.370 -3.653 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.397 -3.120 -8.726 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.678 -4.279 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS C 52 9.262 -4.362 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS C 52 10.740 -5.258 -9.582 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 9.321 -6.735 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 10.390 -6.226 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 8.820 -5.584 -7.350 1.00 0.00 H new ATOM 780 N ASN C 53 8.120 0.130 -9.848 1.00 0.00 N ATOM 781 CA ASN C 53 7.188 1.198 -10.165 1.00 0.00 C ATOM 782 C ASN C 53 5.858 0.927 -9.494 1.00 0.00 C ATOM 783 O ASN C 53 5.086 0.067 -9.913 1.00 0.00 O ATOM 784 CB ASN C 53 7.029 1.382 -11.681 1.00 0.00 C ATOM 785 CG ASN C 53 6.794 0.085 -12.431 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.539 -0.273 -12.593 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 7.735 -0.582 -12.862 1.00 0.00 N flip ATOM 0 H ASN C 53 8.031 -0.700 -10.435 1.00 0.00 H new ATOM 0 HA ASN C 53 7.590 2.135 -9.780 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.195 2.057 -11.871 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.924 1.863 -12.076 1.00 0.00 H new ATOM 0 HD21 ASN C 53 8.694 -0.267 -12.714 1.00 0.00 H new ATOM 0 HD22 ASN C 53 7.556 -1.450 -13.367 1.00 0.00 H new ATOM 794 N TRP C 54 5.613 1.650 -8.426 1.00 0.00 N ATOM 795 CA TRP C 54 4.477 1.383 -7.576 1.00 0.00 C ATOM 796 C TRP C 54 3.303 2.304 -7.856 1.00 0.00 C ATOM 797 O TRP C 54 3.490 3.414 -8.342 1.00 0.00 O ATOM 798 CB TRP C 54 4.896 1.536 -6.144 1.00 0.00 C ATOM 799 CG TRP C 54 4.721 0.276 -5.402 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.637 -0.691 -5.144 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.505 -0.153 -4.861 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.038 -1.714 -4.443 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.715 -1.395 -4.257 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.257 0.424 -4.836 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.685 -2.076 -3.623 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.244 -0.231 -4.220 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.455 -1.479 -3.616 1.00 0.00 C ATOM 0 H TRP C 54 6.191 2.434 -8.124 1.00 0.00 H new ATOM 0 HA TRP C 54 4.144 0.366 -7.783 1.00 0.00 H new ATOM 0 HB2 TRP C 54 5.940 1.846 -6.099 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.309 2.324 -5.672 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.675 -0.663 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.498 -2.564 -4.117 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.087 1.384 -5.300 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.848 -3.036 -3.156 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.260 0.214 -4.194 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.628 -1.979 -3.135 1.00 0.00 H new ATOM 818 N GLY C 55 2.089 1.860 -7.506 1.00 0.00 N ATOM 819 CA GLY C 55 0.930 2.629 -7.853 1.00 0.00 C ATOM 820 C GLY C 55 -0.150 2.699 -6.793 1.00 0.00 C ATOM 821 O GLY C 55 -0.533 1.694 -6.196 1.00 0.00 O ATOM 0 H GLY C 55 1.905 0.995 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.247 3.644 -8.091 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.496 2.210 -8.761 1.00 0.00 H new ATOM 825 N ILE C 56 -0.626 3.914 -6.555 1.00 0.00 N ATOM 826 CA ILE C 56 -1.799 4.140 -5.721 1.00 0.00 C ATOM 827 C ILE C 56 -2.873 4.851 -6.536 1.00 0.00 C ATOM 828 O ILE C 56 -2.610 5.895 -7.142 1.00 0.00 O ATOM 829 CB ILE C 56 -1.484 5.002 -4.474 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.470 4.330 -3.552 1.00 0.00 C ATOM 831 CG2 ILE C 56 -2.758 5.293 -3.694 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.945 4.290 -4.086 1.00 0.00 C ATOM 0 H ILE C 56 -0.212 4.767 -6.932 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.141 3.163 -5.381 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.049 5.934 -4.834 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.468 4.853 -2.596 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -0.798 3.309 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -2.519 5.900 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.459 5.833 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.210 4.355 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.593 3.795 -3.363 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.963 3.740 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE C 56 1.299 5.307 -4.254 1.00 0.00 H new ATOM 844 N PHE C 57 -4.074 4.289 -6.562 1.00 0.00 N ATOM 845 CA PHE C 57 -5.181 4.906 -7.281 1.00 0.00 C ATOM 846 C PHE C 57 -6.429 4.926 -6.398 1.00 0.00 C ATOM 847 O PHE C 57 -6.724 3.953 -5.705 1.00 0.00 O ATOM 848 CB PHE C 57 -5.503 4.153 -8.592 1.00 0.00 C ATOM 849 CG PHE C 57 -4.311 3.577 -9.326 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.668 2.439 -8.858 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.851 4.162 -10.493 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.593 1.902 -9.536 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.771 3.630 -11.174 1.00 0.00 C ATOM 854 CZ PHE C 57 -2.141 2.499 -10.693 1.00 0.00 C ATOM 0 H PHE C 57 -4.306 3.412 -6.096 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.881 5.923 -7.534 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -6.193 3.341 -8.363 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.025 4.835 -9.263 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -4.014 1.967 -7.950 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.341 5.045 -10.877 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -2.106 1.014 -9.160 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.420 4.099 -12.082 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.296 2.083 -11.222 1.00 0.00 H new ATOM 864 N VAL C 58 -7.151 6.035 -6.416 1.00 0.00 N ATOM 865 CA VAL C 58 -8.420 6.133 -5.704 1.00 0.00 C ATOM 866 C VAL C 58 -9.563 5.977 -6.693 1.00 0.00 C ATOM 867 O VAL C 58 -9.692 6.780 -7.619 1.00 0.00 O ATOM 868 CB VAL C 58 -8.568 7.480 -4.962 1.00 0.00 C ATOM 869 CG1 VAL C 58 -9.903 7.554 -4.234 1.00 0.00 C ATOM 870 CG2 VAL C 58 -7.421 7.681 -3.989 1.00 0.00 C ATOM 0 H VAL C 58 -6.881 6.882 -6.916 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.445 5.338 -4.958 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.539 8.280 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -9.984 8.511 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -10.716 7.459 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.966 6.744 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -7.542 8.635 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -7.419 6.873 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -6.477 7.680 -4.534 1.00 0.00 H new ATOM 880 N ASN C 59 -10.373 4.934 -6.509 1.00 0.00 N ATOM 881 CA ASN C 59 -11.461 4.620 -7.440 1.00 0.00 C ATOM 882 C ASN C 59 -10.935 4.432 -8.864 1.00 0.00 C ATOM 883 O ASN C 59 -11.636 4.716 -9.837 1.00 0.00 O ATOM 884 CB ASN C 59 -12.532 5.720 -7.430 1.00 0.00 C ATOM 885 CG ASN C 59 -13.350 5.745 -6.153 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.979 6.394 -5.176 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.477 5.050 -6.155 1.00 0.00 N ATOM 0 H ASN C 59 -10.297 4.290 -5.722 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.911 3.685 -7.105 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -12.050 6.689 -7.564 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.200 5.576 -8.279 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -15.072 5.040 -5.326 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.750 4.524 -6.985 1.00 0.00 H new ATOM 894 N GLY C 60 -9.698 3.959 -8.978 1.00 0.00 N ATOM 895 CA GLY C 60 -9.107 3.722 -10.285 1.00 0.00 C ATOM 896 C GLY C 60 -8.403 4.944 -10.850 1.00 0.00 C ATOM 897 O GLY C 60 -7.957 4.937 -11.999 1.00 0.00 O ATOM 0 H GLY C 60 -9.093 3.735 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.394 2.901 -10.211 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.887 3.406 -10.978 1.00 0.00 H new ATOM 901 N GLU C 61 -8.291 5.994 -10.048 1.00 0.00 N ATOM 902 CA GLU C 61 -7.635 7.222 -10.484 1.00 0.00 C ATOM 903 C GLU C 61 -6.279 7.378 -9.800 1.00 0.00 C ATOM 904 O GLU C 61 -6.195 7.438 -8.573 1.00 0.00 O ATOM 905 CB GLU C 61 -8.526 8.429 -10.185 1.00 0.00 C ATOM 906 CG GLU C 61 -7.913 9.759 -10.590 1.00 0.00 C ATOM 907 CD GLU C 61 -8.819 10.930 -10.279 1.00 0.00 C ATOM 908 OE1 GLU C 61 -9.214 11.651 -11.221 1.00 0.00 O ATOM 909 OE2 GLU C 61 -9.145 11.135 -9.092 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.645 6.021 -9.092 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.471 7.166 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.476 8.305 -10.704 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.746 8.451 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -6.963 9.891 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.695 9.745 -11.658 1.00 0.00 H new ATOM 916 N LYS C 62 -5.229 7.433 -10.613 1.00 0.00 N ATOM 917 CA LYS C 62 -3.852 7.520 -10.133 1.00 0.00 C ATOM 918 C LYS C 62 -3.653 8.749 -9.249 1.00 0.00 C ATOM 919 O LYS C 62 -3.845 9.885 -9.689 1.00 0.00 O ATOM 920 CB LYS C 62 -2.910 7.557 -11.341 1.00 0.00 C ATOM 921 CG LYS C 62 -1.435 7.380 -11.012 1.00 0.00 C ATOM 922 CD LYS C 62 -0.616 7.264 -12.292 1.00 0.00 C ATOM 923 CE LYS C 62 0.874 7.132 -12.018 1.00 0.00 C ATOM 924 NZ LYS C 62 1.428 8.328 -11.336 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.309 7.418 -11.630 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.628 6.646 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.208 6.774 -12.039 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -3.040 8.509 -11.855 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.083 8.227 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.296 6.488 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.956 6.398 -12.860 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.792 8.142 -12.913 1.00 0.00 H new ATOM 0 HE2 LYS C 62 1.051 6.250 -11.402 1.00 0.00 H new ATOM 0 HE3 LYS C 62 1.402 6.975 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 2.217 8.712 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 0.685 9.050 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.771 8.061 -10.391 1.00 0.00 H new ATOM 938 N VAL C 63 -3.278 8.507 -7.999 1.00 0.00 N ATOM 939 CA VAL C 63 -3.136 9.577 -7.024 1.00 0.00 C ATOM 940 C VAL C 63 -1.706 9.673 -6.482 1.00 0.00 C ATOM 941 O VAL C 63 -1.164 10.772 -6.350 1.00 0.00 O ATOM 942 CB VAL C 63 -4.142 9.407 -5.859 1.00 0.00 C ATOM 943 CG1 VAL C 63 -4.035 8.029 -5.243 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.935 10.469 -4.797 1.00 0.00 C ATOM 0 H VAL C 63 -3.067 7.577 -7.638 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.358 10.510 -7.543 1.00 0.00 H new ATOM 0 HB VAL C 63 -5.143 9.524 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.753 7.938 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -4.248 7.274 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -3.027 7.880 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.656 10.324 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.924 10.392 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -4.077 11.456 -5.237 1.00 0.00 H new ATOM 954 N TYR C 64 -1.089 8.536 -6.175 1.00 0.00 N ATOM 955 CA TYR C 64 0.270 8.538 -5.659 1.00 0.00 C ATOM 956 C TYR C 64 1.096 7.436 -6.318 1.00 0.00 C ATOM 957 O TYR C 64 0.561 6.425 -6.773 1.00 0.00 O ATOM 958 CB TYR C 64 0.266 8.380 -4.130 1.00 0.00 C ATOM 959 CG TYR C 64 1.636 8.514 -3.494 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.339 9.709 -3.562 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.226 7.444 -2.832 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.591 9.834 -2.993 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.476 7.562 -2.258 1.00 0.00 C ATOM 964 CZ TYR C 64 4.155 8.757 -2.342 1.00 0.00 C ATOM 965 OH TYR C 64 5.406 8.875 -1.780 1.00 0.00 O ATOM 0 H TYR C 64 -1.506 7.611 -6.274 1.00 0.00 H new ATOM 0 HA TYR C 64 0.730 9.496 -5.900 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.398 9.129 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR C 64 -0.147 7.404 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR C 64 1.899 10.555 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.698 6.504 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.126 10.770 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR C 64 3.919 6.721 -1.745 1.00 0.00 H new ATOM 0 HH TYR C 64 5.657 8.026 -1.359 1.00 0.00 H new ATOM 975 N THR C 65 2.396 7.660 -6.393 1.00 0.00 N ATOM 976 CA THR C 65 3.325 6.700 -6.962 1.00 0.00 C ATOM 977 C THR C 65 4.653 6.774 -6.204 1.00 0.00 C ATOM 978 O THR C 65 5.019 7.842 -5.707 1.00 0.00 O ATOM 979 CB THR C 65 3.546 6.999 -8.462 1.00 0.00 C ATOM 980 OG1 THR C 65 2.303 6.852 -9.159 1.00 0.00 O ATOM 981 CG2 THR C 65 4.596 6.086 -9.082 1.00 0.00 C ATOM 0 H THR C 65 2.839 8.516 -6.060 1.00 0.00 H new ATOM 0 HA THR C 65 2.913 5.695 -6.869 1.00 0.00 H new ATOM 0 HB THR C 65 3.913 8.022 -8.550 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.279 5.980 -9.605 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.717 6.334 -10.137 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.547 6.222 -8.566 1.00 0.00 H new ATOM 0 HG23 THR C 65 4.277 5.048 -8.987 1.00 0.00 H new ATOM 989 N PHE C 66 5.360 5.657 -6.085 1.00 0.00 N ATOM 990 CA PHE C 66 6.633 5.659 -5.370 1.00 0.00 C ATOM 991 C PHE C 66 7.535 4.523 -5.825 1.00 0.00 C ATOM 992 O PHE C 66 7.126 3.657 -6.600 1.00 0.00 O ATOM 993 CB PHE C 66 6.409 5.574 -3.850 1.00 0.00 C ATOM 994 CG PHE C 66 5.836 4.269 -3.354 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.468 4.109 -3.194 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.671 3.213 -3.019 1.00 0.00 C ATOM 997 CE1 PHE C 66 3.946 2.921 -2.711 1.00 0.00 C ATOM 998 CE2 PHE C 66 6.154 2.024 -2.540 1.00 0.00 C ATOM 999 CZ PHE C 66 4.791 1.880 -2.384 1.00 0.00 C ATOM 0 H PHE C 66 5.082 4.753 -6.466 1.00 0.00 H new ATOM 0 HA PHE C 66 7.130 6.601 -5.603 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.361 5.747 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.740 6.382 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE C 66 3.802 4.920 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.739 3.321 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE C 66 2.879 2.809 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE C 66 6.816 1.209 -2.288 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.385 0.953 -2.006 1.00 0.00 H new ATOM 1009 N ASN C 67 8.770 4.546 -5.340 1.00 0.00 N ATOM 1010 CA ASN C 67 9.726 3.486 -5.608 1.00 0.00 C ATOM 1011 C ASN C 67 9.898 2.629 -4.367 1.00 0.00 C ATOM 1012 O ASN C 67 10.264 3.117 -3.299 1.00 0.00 O ATOM 1013 CB ASN C 67 11.074 4.062 -6.044 1.00 0.00 C ATOM 1014 CG ASN C 67 11.020 4.706 -7.415 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.265 4.278 -8.287 1.00 0.00 O ATOM 1016 ND2 ASN C 67 11.820 5.741 -7.617 1.00 0.00 N ATOM 0 H ASN C 67 9.133 5.297 -4.753 1.00 0.00 H new ATOM 0 HA ASN C 67 9.344 2.871 -6.422 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.402 4.801 -5.313 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.819 3.267 -6.050 1.00 0.00 H new ATOM 0 HD21 ASN C 67 11.825 6.213 -8.521 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.432 6.066 -6.869 1.00 0.00 H new ATOM 1023 N GLU C 68 9.624 1.344 -4.542 1.00 0.00 N ATOM 1024 CA GLU C 68 9.517 0.381 -3.446 1.00 0.00 C ATOM 1025 C GLU C 68 10.728 0.373 -2.516 1.00 0.00 C ATOM 1026 O GLU C 68 10.573 0.285 -1.301 1.00 0.00 O ATOM 1027 CB GLU C 68 9.318 -1.017 -4.040 1.00 0.00 C ATOM 1028 CG GLU C 68 8.251 -1.847 -3.347 1.00 0.00 C ATOM 1029 CD GLU C 68 8.151 -3.255 -3.906 1.00 0.00 C ATOM 1030 OE1 GLU C 68 7.109 -3.587 -4.502 1.00 0.00 O ATOM 1031 OE2 GLU C 68 9.116 -4.036 -3.757 1.00 0.00 O1- ATOM 0 H GLU C 68 9.467 0.931 -5.461 1.00 0.00 H new ATOM 0 HA GLU C 68 8.665 0.681 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.056 -0.917 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.265 -1.555 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.472 -1.898 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.286 -1.350 -3.449 1.00 0.00 H new ATOM 1038 N LYS C 69 11.921 0.486 -3.077 1.00 0.00 N ATOM 1039 CA LYS C 69 13.152 0.260 -2.319 1.00 0.00 C ATOM 1040 C LYS C 69 13.465 1.391 -1.336 1.00 0.00 C ATOM 1041 O LYS C 69 14.469 1.331 -0.625 1.00 0.00 O ATOM 1042 CB LYS C 69 14.322 0.083 -3.274 1.00 0.00 C ATOM 1043 CG LYS C 69 14.642 1.343 -4.042 1.00 0.00 C ATOM 1044 CD LYS C 69 15.726 1.099 -5.077 1.00 0.00 C ATOM 1045 CE LYS C 69 16.242 2.399 -5.668 1.00 0.00 C ATOM 1046 NZ LYS C 69 16.980 3.211 -4.665 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.069 0.733 -4.056 1.00 0.00 H new ATOM 0 HA LYS C 69 12.997 -0.645 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.202 -0.228 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.094 -0.718 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.742 1.709 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.965 2.121 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS C 69 16.552 0.555 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.333 0.468 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.898 2.179 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS C 69 15.405 2.978 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 17.552 3.929 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.302 3.681 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.603 2.592 -4.108 1.00 0.00 H new ATOM 1060 N SER C 70 12.625 2.417 -1.298 1.00 0.00 N ATOM 1061 CA SER C 70 12.801 3.491 -0.335 1.00 0.00 C ATOM 1062 C SER C 70 12.455 2.983 1.065 1.00 0.00 C ATOM 1063 O SER C 70 12.141 1.803 1.236 1.00 0.00 O ATOM 1064 CB SER C 70 11.914 4.679 -0.707 1.00 0.00 C ATOM 1065 OG SER C 70 12.170 5.109 -2.033 1.00 0.00 O ATOM 0 H SER C 70 11.822 2.526 -1.918 1.00 0.00 H new ATOM 0 HA SER C 70 13.840 3.820 -0.346 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.865 4.399 -0.608 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.092 5.501 -0.014 1.00 0.00 H new ATOM 0 HG SER C 70 11.635 4.577 -2.658 1.00 0.00 H new ATOM 1071 N THR C 71 12.494 3.849 2.069 1.00 0.00 N ATOM 1072 CA THR C 71 12.138 3.433 3.399 1.00 0.00 C ATOM 1073 C THR C 71 10.633 3.278 3.461 1.00 0.00 C ATOM 1074 O THR C 71 9.889 4.261 3.409 1.00 0.00 O ATOM 1075 CB THR C 71 12.632 4.425 4.466 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.232 5.756 4.129 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.146 4.363 4.600 1.00 0.00 C ATOM 0 H THR C 71 12.766 4.828 1.980 1.00 0.00 H new ATOM 0 HA THR C 71 12.624 2.482 3.616 1.00 0.00 H new ATOM 0 HB THR C 71 12.185 4.147 5.420 1.00 0.00 H new ATOM 0 HG1 THR C 71 12.960 6.379 4.335 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.473 5.073 5.360 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.445 3.356 4.891 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.606 4.616 3.645 1.00 0.00 H new ATOM 1085 N VAL C 72 10.194 2.035 3.544 1.00 0.00 N ATOM 1086 CA VAL C 72 8.787 1.697 3.438 1.00 0.00 C ATOM 1087 C VAL C 72 7.976 2.375 4.546 1.00 0.00 C ATOM 1088 O VAL C 72 6.753 2.438 4.486 1.00 0.00 O ATOM 1089 CB VAL C 72 8.594 0.155 3.469 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.194 -0.247 3.046 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.616 -0.531 2.570 1.00 0.00 C ATOM 0 H VAL C 72 10.804 1.230 3.687 1.00 0.00 H new ATOM 0 HA VAL C 72 8.417 2.067 2.482 1.00 0.00 H new ATOM 0 HB VAL C 72 8.743 -0.166 4.500 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.101 -1.332 3.081 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.467 0.202 3.722 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.007 0.100 2.030 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.465 -1.610 2.605 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.493 -0.180 1.545 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.622 -0.294 2.916 1.00 0.00 H new ATOM 1101 N GLY C 73 8.671 2.930 5.528 1.00 0.00 N ATOM 1102 CA GLY C 73 7.995 3.611 6.615 1.00 0.00 C ATOM 1103 C GLY C 73 7.705 5.057 6.284 1.00 0.00 C ATOM 1104 O GLY C 73 6.639 5.574 6.630 1.00 0.00 O ATOM 0 H GLY C 73 9.689 2.922 5.592 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.061 3.096 6.840 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.611 3.561 7.513 1.00 0.00 H new ATOM 1108 N ASN C 74 8.634 5.717 5.601 1.00 0.00 N ATOM 1109 CA ASN C 74 8.403 7.089 5.170 1.00 0.00 C ATOM 1110 C ASN C 74 7.429 7.094 4.005 1.00 0.00 C ATOM 1111 O ASN C 74 6.678 8.045 3.812 1.00 0.00 O ATOM 1112 CB ASN C 74 9.708 7.790 4.769 1.00 0.00 C ATOM 1113 CG ASN C 74 10.572 8.158 5.960 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.390 9.208 6.578 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.537 7.312 6.279 1.00 0.00 N ATOM 0 H ASN C 74 9.541 5.331 5.337 1.00 0.00 H new ATOM 0 HA ASN C 74 7.982 7.641 6.010 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.274 7.139 4.103 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.471 8.693 4.206 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.160 7.520 7.059 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.658 6.452 5.745 1.00 0.00 H new ATOM 1122 N ILE C 75 7.440 6.011 3.242 1.00 0.00 N ATOM 1123 CA ILE C 75 6.551 5.874 2.103 1.00 0.00 C ATOM 1124 C ILE C 75 5.122 5.605 2.553 1.00 0.00 C ATOM 1125 O ILE C 75 4.226 6.426 2.347 1.00 0.00 O ATOM 1126 CB ILE C 75 6.988 4.724 1.175 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.417 4.935 0.668 1.00 0.00 C ATOM 1128 CG2 ILE C 75 6.019 4.596 0.013 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.604 6.212 -0.120 1.00 0.00 C ATOM 0 H ILE C 75 8.057 5.213 3.393 1.00 0.00 H new ATOM 0 HA ILE C 75 6.600 6.817 1.559 1.00 0.00 H new ATOM 0 HB ILE C 75 6.974 3.797 1.748 1.00 0.00 H new ATOM 0 HG12 ILE C 75 9.097 4.942 1.520 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.699 4.088 0.042 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.336 3.781 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE C 75 5.019 4.388 0.394 1.00 0.00 H new ATOM 0 HG23 ILE C 75 6.005 5.527 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.641 6.290 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.950 6.200 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.355 7.067 0.508 1.00 0.00 H new ATOM 1141 N SER C 76 4.922 4.454 3.185 1.00 0.00 N ATOM 1142 CA SER C 76 3.587 3.975 3.495 1.00 0.00 C ATOM 1143 C SER C 76 2.838 4.930 4.397 1.00 0.00 C ATOM 1144 O SER C 76 1.702 5.296 4.121 1.00 0.00 O ATOM 1145 CB SER C 76 3.657 2.596 4.141 1.00 0.00 C ATOM 1146 OG SER C 76 4.507 1.738 3.405 1.00 0.00 O ATOM 0 H SER C 76 5.673 3.836 3.492 1.00 0.00 H new ATOM 0 HA SER C 76 3.039 3.909 2.555 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.022 2.687 5.164 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.658 2.165 4.197 1.00 0.00 H new ATOM 0 HG SER C 76 5.441 1.928 3.633 1.00 0.00 H new ATOM 1152 N ASN C 77 3.477 5.351 5.462 1.00 0.00 N ATOM 1153 CA ASN C 77 2.796 6.184 6.440 1.00 0.00 C ATOM 1154 C ASN C 77 2.617 7.626 5.974 1.00 0.00 C ATOM 1155 O ASN C 77 1.821 8.357 6.558 1.00 0.00 O ATOM 1156 CB ASN C 77 3.445 6.120 7.816 1.00 0.00 C ATOM 1157 CG ASN C 77 3.082 4.850 8.567 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.841 4.396 8.403 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 3.897 4.297 9.304 1.00 0.00 N flip ATOM 0 H ASN C 77 4.451 5.139 5.677 1.00 0.00 H new ATOM 0 HA ASN C 77 1.797 5.760 6.536 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.528 6.178 7.707 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.136 6.986 8.401 1.00 0.00 H new ATOM 0 HD21 ASN C 77 4.838 4.678 9.401 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.632 3.457 9.818 1.00 0.00 H new ATOM 1166 N ASP C 78 3.336 8.056 4.935 1.00 0.00 N ATOM 1167 CA ASP C 78 2.975 9.314 4.274 1.00 0.00 C ATOM 1168 C ASP C 78 1.565 9.193 3.756 1.00 0.00 C ATOM 1169 O ASP C 78 0.739 10.080 3.948 1.00 0.00 O ATOM 1170 CB ASP C 78 3.892 9.654 3.106 1.00 0.00 C ATOM 1171 CG ASP C 78 4.677 10.930 3.337 1.00 0.00 C ATOM 1172 OD1 ASP C 78 4.279 11.986 2.797 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.684 10.895 4.070 1.00 0.00 O1- ATOM 0 H ASP C 78 4.144 7.573 4.543 1.00 0.00 H new ATOM 0 HA ASP C 78 3.073 10.112 5.010 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.585 8.829 2.941 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.297 9.757 2.199 1.00 0.00 H new ATOM 1178 N ILE C 79 1.302 8.047 3.136 1.00 0.00 N ATOM 1179 CA ILE C 79 -0.026 7.695 2.665 1.00 0.00 C ATOM 1180 C ILE C 79 -1.025 7.742 3.821 1.00 0.00 C ATOM 1181 O ILE C 79 -2.225 7.935 3.621 1.00 0.00 O ATOM 1182 CB ILE C 79 -0.019 6.286 2.022 1.00 0.00 C ATOM 1183 CG1 ILE C 79 0.988 6.237 0.867 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.408 5.895 1.535 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.182 4.854 0.281 1.00 0.00 C ATOM 0 H ILE C 79 2.009 7.336 2.947 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.328 8.419 1.908 1.00 0.00 H new ATOM 0 HB ILE C 79 0.282 5.567 2.784 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.655 6.912 0.078 1.00 0.00 H new ATOM 0 HG13 ILE C 79 1.950 6.610 1.220 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.371 4.901 1.089 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -2.100 5.889 2.377 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.748 6.615 0.790 1.00 0.00 H new ATOM 0 HD11 ILE C 79 1.908 4.901 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.546 4.179 1.055 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.231 4.485 -0.104 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.519 7.602 5.042 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.386 7.629 6.206 1.00 0.00 C ATOM 1199 C ASN C 80 -1.594 9.041 6.696 1.00 0.00 C ATOM 1200 O ASN C 80 -2.660 9.362 7.204 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.862 6.801 7.383 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.698 5.321 7.115 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.962 4.501 7.986 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.211 4.963 5.949 1.00 0.00 N ATOM 0 H ASN C 80 0.472 7.471 5.246 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.323 7.189 5.865 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.102 7.206 7.689 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.543 6.927 8.225 1.00 0.00 H new ATOM 0 HD21 ASN C 80 -0.042 3.977 5.748 1.00 0.00 H new ATOM 0 HD22 ASN C 80 -0.002 5.671 5.245 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.577 9.880 6.576 1.00 0.00 N ATOM 1212 CA LYS C 81 -0.735 11.281 6.922 1.00 0.00 C ATOM 1213 C LYS C 81 -1.889 11.857 6.117 1.00 0.00 C ATOM 1214 O LYS C 81 -2.715 12.600 6.630 1.00 0.00 O ATOM 1215 CB LYS C 81 0.559 12.065 6.677 1.00 0.00 C ATOM 1216 CG LYS C 81 1.682 11.679 7.632 1.00 0.00 C ATOM 1217 CD LYS C 81 2.886 12.604 7.511 1.00 0.00 C ATOM 1218 CE LYS C 81 3.606 12.431 6.185 1.00 0.00 C ATOM 1219 NZ LYS C 81 4.812 13.294 6.084 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.353 9.620 6.247 1.00 0.00 H new ATOM 0 HA LYS C 81 -0.958 11.367 7.986 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.889 11.899 5.652 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.355 13.131 6.777 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.310 11.703 8.656 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.992 10.654 7.429 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.560 13.639 7.614 1.00 0.00 H new ATOM 0 HD3 LYS C 81 3.579 12.405 8.328 1.00 0.00 H new ATOM 0 HE2 LYS C 81 3.897 11.387 6.065 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.923 12.667 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 5.492 12.865 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.538 14.234 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 5.251 13.388 7.022 1.00 0.00 H new ATOM 1233 N LEU C 82 -1.973 11.430 4.867 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.068 11.814 3.984 1.00 0.00 C ATOM 1235 C LEU C 82 -4.402 11.357 4.571 1.00 0.00 C ATOM 1236 O LEU C 82 -5.428 12.006 4.374 1.00 0.00 O ATOM 1237 CB LEU C 82 -2.891 11.154 2.613 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.446 10.912 2.161 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.438 10.321 0.757 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.644 12.208 2.184 1.00 0.00 C ATOM 0 H LEU C 82 -1.288 10.810 4.435 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.060 12.899 3.880 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.412 10.197 2.624 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.384 11.777 1.867 1.00 0.00 H new ATOM 0 HG LEU C 82 -0.981 10.210 2.853 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.409 10.151 0.440 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.979 9.375 0.757 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.920 11.014 0.068 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.377 12.010 1.859 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.104 12.933 1.512 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.631 12.610 3.197 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.345 10.262 5.327 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.529 9.540 5.814 1.00 0.00 C ATOM 1254 C ASN C 83 -6.623 9.497 4.757 1.00 0.00 C ATOM 1255 O ASN C 83 -7.519 10.348 4.720 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.040 10.120 7.131 1.00 0.00 C ATOM 1257 CG ASN C 83 -5.913 9.116 8.269 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -4.882 8.269 8.218 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -6.728 9.104 9.192 1.00 0.00 N flip ATOM 0 H ASN C 83 -3.465 9.842 5.625 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.227 8.512 6.013 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.478 11.021 7.375 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.083 10.415 7.019 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -7.503 9.767 9.197 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -6.628 8.431 9.952 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.534 8.489 3.902 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.347 8.421 2.700 1.00 0.00 C ATOM 1268 C ILE C 84 -8.815 8.184 2.979 1.00 0.00 C ATOM 1269 O ILE C 84 -9.251 7.060 3.230 1.00 0.00 O ATOM 1270 CB ILE C 84 -6.860 7.329 1.746 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.385 7.533 1.443 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.676 7.353 0.457 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.092 8.845 0.749 1.00 0.00 C ATOM 0 H ILE C 84 -5.899 7.700 4.022 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.237 9.402 2.238 1.00 0.00 H new ATOM 0 HB ILE C 84 -6.992 6.356 2.220 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -4.820 7.489 2.374 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.033 6.713 0.818 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.320 6.571 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.727 7.181 0.689 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.565 8.324 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.021 8.927 0.562 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.630 8.883 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.414 9.672 1.383 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.552 9.263 2.942 1.00 0.00 N ATOM 1286 CA LYS C 85 -10.988 9.208 2.815 1.00 0.00 C ATOM 1287 C LYS C 85 -11.329 8.606 1.454 1.00 0.00 C ATOM 1288 O LYS C 85 -10.828 9.065 0.424 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.575 10.618 2.950 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.995 11.634 1.932 1.00 0.00 C ATOM 1291 CD LYS C 85 -9.695 12.251 2.435 1.00 0.00 C ATOM 1292 CE LYS C 85 -8.511 11.935 1.518 1.00 0.00 C ATOM 1293 NZ LYS C 85 -8.682 12.522 0.163 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.174 10.209 2.999 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.416 8.588 3.602 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.656 10.566 2.822 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.391 10.984 3.960 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.817 11.135 0.980 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.725 12.422 1.747 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.814 13.332 2.512 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -9.484 11.881 3.438 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -7.594 12.318 1.966 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.397 10.854 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -7.761 12.555 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -9.341 11.936 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.063 13.486 0.248 1.00 0.00 H new ATOM 1307 N GLY C 86 -12.133 7.563 1.446 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.443 6.894 0.203 1.00 0.00 C ATOM 1309 C GLY C 86 -13.018 5.513 0.433 1.00 0.00 C ATOM 1310 O GLY C 86 -12.817 4.936 1.500 1.00 0.00 O ATOM 0 H GLY C 86 -12.577 7.166 2.274 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.155 7.494 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.540 6.815 -0.402 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.741 4.955 -0.548 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.372 3.642 -0.409 1.00 0.00 C ATOM 1316 C PRO C 87 -13.395 2.492 -0.655 1.00 0.00 C ATOM 1317 O PRO C 87 -13.115 1.701 0.247 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.454 3.679 -1.486 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.870 4.532 -2.560 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.030 5.570 -1.860 1.00 0.00 C ATOM 0 HA PRO C 87 -14.751 3.465 0.598 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.685 2.679 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.383 4.101 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.264 3.937 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.654 5.001 -3.154 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.115 5.785 -2.412 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.566 6.513 -1.752 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.860 2.412 -1.868 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.924 1.369 -2.213 1.00 0.00 C ATOM 1330 C TYR C 88 -10.674 1.970 -2.825 1.00 0.00 C ATOM 1331 O TYR C 88 -10.746 2.902 -3.632 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.554 0.324 -3.145 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.360 0.894 -4.295 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.760 1.185 -5.513 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.725 1.120 -4.166 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -13.498 1.684 -6.568 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -15.467 1.622 -5.217 1.00 0.00 C ATOM 1338 CZ TYR C 88 -14.849 1.901 -6.415 1.00 0.00 C ATOM 1339 OH TYR C 88 -15.583 2.399 -7.468 1.00 0.00 O ATOM 0 H TYR C 88 -13.065 3.063 -2.626 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.646 0.848 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.761 -0.303 -3.553 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.201 -0.325 -2.554 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.700 1.019 -5.637 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -15.214 0.899 -3.228 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -13.017 1.903 -7.510 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -16.527 1.795 -5.100 1.00 0.00 H new ATOM 0 HH TYR C 88 -16.520 2.494 -7.198 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.530 1.447 -2.423 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.256 2.022 -2.805 1.00 0.00 C ATOM 1351 C ILE C 89 -7.396 1.004 -3.526 1.00 0.00 C ATOM 1352 O ILE C 89 -7.300 -0.153 -3.114 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.498 2.551 -1.574 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.388 3.516 -0.800 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.205 3.241 -1.993 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -7.785 3.982 0.503 1.00 0.00 C ATOM 0 H ILE C 89 -9.459 0.621 -1.829 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.463 2.853 -3.479 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.239 1.709 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.598 4.384 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.343 3.032 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.685 3.607 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.568 2.531 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.436 4.079 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.474 4.666 0.999 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -7.601 3.122 1.147 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -6.844 4.495 0.305 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.774 1.451 -4.596 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.920 0.611 -5.404 1.00 0.00 C ATOM 1370 C GLU C 90 -4.484 0.708 -4.935 1.00 0.00 C ATOM 1371 O GLU C 90 -3.783 1.669 -5.256 1.00 0.00 O ATOM 1372 CB GLU C 90 -6.003 1.061 -6.848 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.386 0.917 -7.451 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.742 -0.525 -7.735 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.516 -0.981 -8.875 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -8.248 -1.209 -6.826 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.848 2.412 -4.930 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.252 -0.423 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.695 2.104 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.295 0.482 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.123 1.343 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.438 1.491 -8.376 1.00 0.00 H new ATOM 1383 N ILE C 91 -4.056 -0.272 -4.168 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.682 -0.322 -3.713 1.00 0.00 C ATOM 1385 C ILE C 91 -1.989 -1.529 -4.339 1.00 0.00 C ATOM 1386 O ILE C 91 -2.154 -2.659 -3.877 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.608 -0.396 -2.167 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -3.363 0.777 -1.531 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -1.163 -0.402 -1.688 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.718 2.125 -1.778 1.00 0.00 C ATOM 0 H ILE C 91 -4.639 -1.045 -3.846 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.174 0.591 -4.023 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.080 -1.329 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -4.381 0.795 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.435 0.611 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -1.141 -0.454 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -0.646 -1.267 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -0.667 0.511 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -3.309 2.905 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.710 2.127 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -2.670 2.315 -2.850 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.245 -1.280 -5.415 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.493 -2.317 -6.113 1.00 0.00 C ATOM 1404 C LYS C 92 0.406 -1.651 -7.142 1.00 0.00 C ATOM 1405 O LYS C 92 0.165 -0.509 -7.522 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.418 -3.330 -6.804 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.088 -2.819 -8.074 1.00 0.00 C ATOM 1408 CD LYS C 92 -3.177 -1.798 -7.785 1.00 0.00 C ATOM 1409 CE LYS C 92 -4.206 -1.752 -8.903 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.605 -1.415 -10.221 1.00 0.00 N1+ ATOM 0 H LYS C 92 -1.147 -0.352 -5.827 1.00 0.00 H new ATOM 0 HA LYS C 92 0.100 -2.868 -5.383 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.840 -4.221 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.191 -3.635 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -1.336 -2.370 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.518 -3.660 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -3.670 -2.046 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -2.729 -0.812 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -4.705 -2.719 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -4.971 -1.015 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -4.357 -1.330 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -3.093 -0.513 -10.149 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -2.944 -2.166 -10.503 1.00 0.00 H new ATOM 1424 N GLN C 93 1.429 -2.343 -7.600 1.00 0.00 N ATOM 1425 CA GLN C 93 2.368 -1.727 -8.520 1.00 0.00 C ATOM 1426 C GLN C 93 1.796 -1.683 -9.927 1.00 0.00 C ATOM 1427 O GLN C 93 0.728 -2.237 -10.200 1.00 0.00 O ATOM 1428 CB GLN C 93 3.716 -2.440 -8.521 1.00 0.00 C ATOM 1429 CG GLN C 93 3.861 -3.531 -7.474 1.00 0.00 C ATOM 1430 CD GLN C 93 5.194 -4.243 -7.573 1.00 0.00 C ATOM 1431 OE1 GLN C 93 6.208 -3.540 -8.055 1.00 0.00 O flip ATOM 1432 NE2 GLN C 93 5.313 -5.422 -7.233 1.00 0.00 N flip ATOM 0 H GLN C 93 1.631 -3.313 -7.358 1.00 0.00 H new ATOM 0 HA GLN C 93 2.533 -0.707 -8.174 1.00 0.00 H new ATOM 0 HB2 GLN C 93 3.879 -2.877 -9.506 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.502 -1.701 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.756 -3.095 -6.480 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.054 -4.255 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN C 93 4.509 -5.931 -6.866 1.00 0.00 H new ATOM 0 HE22 GLN C 93 6.216 -5.889 -7.319 1.00 0.00 H new ATOM 1441 N ILE C 94 2.506 -1.017 -10.818 1.00 0.00 N ATOM 1442 CA ILE C 94 2.022 -0.814 -12.169 1.00 0.00 C ATOM 1443 C ILE C 94 2.517 -1.929 -13.085 1.00 0.00 C ATOM 1444 O ILE C 94 1.816 -2.952 -13.207 1.00 0.00 O ATOM 1445 CB ILE C 94 2.455 0.553 -12.729 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.850 1.508 -11.595 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.330 1.154 -13.552 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.351 2.852 -12.073 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.617 -1.795 -13.658 1.00 0.00 O ATOM 0 H ILE C 94 3.421 -0.607 -10.630 1.00 0.00 H new ATOM 0 HA ILE C 94 0.933 -0.834 -12.132 1.00 0.00 H new ATOM 0 HB ILE C 94 3.326 0.405 -13.367 1.00 0.00 H new ATOM 0 HG12 ILE C 94 1.988 1.662 -10.946 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.624 1.037 -10.989 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.643 2.121 -13.945 1.00 0.00 H new ATOM 0 HG22 ILE C 94 1.088 0.487 -14.380 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.450 1.286 -12.923 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.610 3.470 -11.214 1.00 0.00 H new ATOM 0 HD12 ILE C 94 4.233 2.710 -12.697 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.571 3.346 -12.653 1.00 0.00 H new