USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 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= -4.82! K(o=-16!,f=-9) USER MOD Set 1.2: C 80 ASN : amide:sc= -11.5! C(o=-16!,f=-9!) USER MOD Set 2.1: C 40 SER OG : rot 26:sc= -0.802! USER MOD Set 2.2: C 76 SER OG : rot -155:sc= 0.0844 USER MOD Set 3.1: C 71 THR OG1 : rot 153:sc= 0.907 USER MOD Set 3.2: C 74 ASN : amide:sc= -0.326 K(o=0.58,f=-1.5) USER MOD Set 4.1: C 35 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.6!) USER MOD Set 4.2: C 37 LYS NZ :NH3+ 180:sc= -0.0035 (180deg=-0.0166) USER MOD Set 5.1: C 26 LYS NZ :NH3+ 161:sc= 1.02 (180deg=1.08) USER MOD Set 5.2: C 42 ASN : amide:sc= -1.54! C(o=-0.53!,f=-9.3!) USER MOD Set 6.1: C 21 ASN : amide:sc= 0.104 K(o=0.1,f=-1.8!) USER MOD Set 6.2: C 28 SER OG : rot 180:sc= 0 USER MOD Set 7.1: C 12 SER OG : rot -139:sc= 0 USER MOD Set 7.2: C 88 TYR OH : rot -130:sc= 0.945 USER MOD Single : C 9 GLN : amide:sc= -0.603! C(o=-0.6!,f=-4.2!) USER MOD Single : C 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 11 ASN : amide:sc= -0.0209 K(o=-0.021,f=-0.61) USER MOD Single : C 14 ASN : amide:sc= -0.45 K(o=-0.45,f=-5!) USER MOD Single : C 15 SER OG : rot -81:sc= 0.968 USER MOD Single : C 17 ASN : amide:sc= -2.52! C(o=-2.5!,f=-12!) USER MOD Single : C 19 LYS NZ :NH3+ -169:sc=-0.00322 (180deg=-0.0939) USER MOD Single : C 22 LYS NZ :NH3+ 139:sc= 0.00622 (180deg=-2.95!) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 30 SER OG : rot -15:sc= -0.266 USER MOD Single : C 31 MET CE :methyl 173:sc= -0.533 (180deg=-0.661) USER MOD Single : C 32 ASN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : C 34 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.25) USER MOD Single : C 39 THR OG1 : rot 25:sc= -0.883 USER MOD Single : C 41 SER OG : rot 180:sc= 0.272 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 173:sc= 1.69 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 168:sc= 0.842 (180deg=0.502) USER MOD Single : C 53 ASN : amide:sc= 0.514 K(o=0.51,f=-6!) USER MOD Single : C 59 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : C 62 LYS NZ :NH3+ -161:sc=-0.000784 (180deg=-0.407) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 63:sc= 1.22 USER MOD Single : C 67 ASN : amide:sc= -0.0379 X(o=-0.038,f=-0.025) USER MOD Single : C 69 LYS NZ :NH3+ 164:sc= -0.0191 (180deg=-0.271) USER MOD Single : C 70 SER OG : rot -84:sc= 1.21 USER MOD Single : C 81 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.08) USER MOD Single : C 83 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.22) USER MOD Single : C 85 LYS NZ :NH3+ 174:sc= 0.935 (180deg=0.906) USER MOD Single : C 92 LYS NZ :NH3+ 164:sc= -0.0303 (180deg=-0.271) USER MOD Single : C 93 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -12.574 -2.749 0.663 1.00 0.00 N ATOM 126 CA GLN C 9 -11.212 -2.638 1.191 1.00 0.00 C ATOM 127 C GLN C 9 -10.654 -3.991 1.650 1.00 0.00 C ATOM 128 O GLN C 9 -9.693 -4.041 2.416 1.00 0.00 O ATOM 129 CB GLN C 9 -11.206 -1.678 2.376 1.00 0.00 C ATOM 130 CG GLN C 9 -11.724 -0.287 2.053 1.00 0.00 C ATOM 131 CD GLN C 9 -12.727 0.210 3.078 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.796 1.406 3.368 1.00 0.00 O ATOM 133 NE2 GLN C 9 -13.540 -0.694 3.608 1.00 0.00 N ATOM 0 HA GLN C 9 -10.579 -2.268 0.385 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.812 -2.103 3.176 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.188 -1.595 2.757 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -10.885 0.407 2.003 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -12.190 -0.296 1.068 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -13.453 -1.675 3.344 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -14.252 -0.408 4.280 1.00 0.00 H new ATOM 142 N MET C 10 -11.262 -5.076 1.196 1.00 0.00 N ATOM 143 CA MET C 10 -10.943 -6.408 1.701 1.00 0.00 C ATOM 144 C MET C 10 -9.701 -7.013 1.037 1.00 0.00 C ATOM 145 O MET C 10 -8.734 -6.304 0.752 1.00 0.00 O ATOM 146 CB MET C 10 -12.140 -7.341 1.532 1.00 0.00 C ATOM 147 CG MET C 10 -13.336 -6.960 2.385 1.00 0.00 C ATOM 148 SD MET C 10 -14.704 -8.118 2.211 1.00 0.00 S ATOM 149 CE MET C 10 -15.847 -7.468 3.421 1.00 0.00 C ATOM 0 H MET C 10 -11.983 -5.063 0.475 1.00 0.00 H new ATOM 0 HA MET C 10 -10.714 -6.297 2.761 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.440 -7.347 0.484 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.835 -8.357 1.782 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.033 -6.915 3.431 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.672 -5.961 2.108 1.00 0.00 H new ATOM 0 HE1 MET C 10 -16.749 -8.079 3.434 1.00 0.00 H new ATOM 0 HE2 MET C 10 -15.382 -7.486 4.407 1.00 0.00 H new ATOM 0 HE3 MET C 10 -16.107 -6.442 3.161 1.00 0.00 H new ATOM 159 N ASN C 11 -9.748 -8.325 0.787 1.00 0.00 N ATOM 160 CA ASN C 11 -8.597 -9.111 0.319 1.00 0.00 C ATOM 161 C ASN C 11 -7.870 -8.501 -0.885 1.00 0.00 C ATOM 162 O ASN C 11 -6.732 -8.874 -1.171 1.00 0.00 O ATOM 163 CB ASN C 11 -9.049 -10.532 -0.024 1.00 0.00 C ATOM 164 CG ASN C 11 -9.594 -11.275 1.180 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.154 -11.062 2.309 1.00 0.00 O ATOM 166 ND2 ASN C 11 -10.563 -12.146 0.952 1.00 0.00 N ATOM 0 H ASN C 11 -10.596 -8.880 0.905 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.880 -9.116 1.140 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.815 -10.489 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -8.208 -11.087 -0.439 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -10.972 -12.668 1.727 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -10.901 -12.295 0.001 1.00 0.00 H new ATOM 173 N SER C 12 -8.509 -7.575 -1.588 1.00 0.00 N ATOM 174 CA SER C 12 -7.859 -6.873 -2.687 1.00 0.00 C ATOM 175 C SER C 12 -6.541 -6.239 -2.226 1.00 0.00 C ATOM 176 O SER C 12 -5.547 -6.271 -2.947 1.00 0.00 O ATOM 177 CB SER C 12 -8.796 -5.806 -3.254 1.00 0.00 C ATOM 178 OG SER C 12 -10.021 -6.384 -3.678 1.00 0.00 O ATOM 0 H SER C 12 -9.474 -7.293 -1.417 1.00 0.00 H new ATOM 0 HA SER C 12 -7.630 -7.595 -3.471 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.990 -5.047 -2.497 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.316 -5.303 -4.094 1.00 0.00 H new ATOM 0 HG SER C 12 -10.299 -5.976 -4.525 1.00 0.00 H new ATOM 184 N ILE C 13 -6.531 -5.682 -1.017 1.00 0.00 N ATOM 185 CA ILE C 13 -5.315 -5.084 -0.474 1.00 0.00 C ATOM 186 C ILE C 13 -4.503 -6.093 0.343 1.00 0.00 C ATOM 187 O ILE C 13 -3.293 -5.944 0.496 1.00 0.00 O ATOM 188 CB ILE C 13 -5.608 -3.815 0.371 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.604 -4.093 1.506 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.127 -2.697 -0.519 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.963 -4.562 2.796 1.00 0.00 C ATOM 0 H ILE C 13 -7.342 -5.632 -0.401 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.717 -4.778 -1.333 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.668 -3.506 0.829 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -7.172 -3.185 1.706 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -7.316 -4.848 1.172 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.328 -1.813 0.087 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -5.379 -2.456 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -7.046 -3.019 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -6.736 -4.735 3.544 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.418 -5.489 2.616 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.273 -3.800 3.157 1.00 0.00 H new ATOM 203 N ASN C 14 -5.164 -7.128 0.860 1.00 0.00 N ATOM 204 CA ASN C 14 -4.483 -8.124 1.691 1.00 0.00 C ATOM 205 C ASN C 14 -3.629 -9.049 0.842 1.00 0.00 C ATOM 206 O ASN C 14 -2.592 -9.528 1.292 1.00 0.00 O ATOM 207 CB ASN C 14 -5.470 -8.967 2.485 1.00 0.00 C ATOM 208 CG ASN C 14 -6.368 -8.148 3.390 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.457 -7.741 2.996 1.00 0.00 O ATOM 210 ND2 ASN C 14 -5.924 -7.905 4.611 1.00 0.00 N ATOM 0 H ASN C 14 -6.160 -7.299 0.721 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.851 -7.570 2.385 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -6.088 -9.538 1.792 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.918 -9.688 3.089 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.492 -7.363 5.262 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.013 -8.260 4.903 1.00 0.00 H new ATOM 217 N SER C 15 -4.074 -9.312 -0.379 1.00 0.00 N ATOM 218 CA SER C 15 -3.284 -10.104 -1.311 1.00 0.00 C ATOM 219 C SER C 15 -1.974 -9.384 -1.605 1.00 0.00 C ATOM 220 O SER C 15 -0.938 -10.008 -1.838 1.00 0.00 O ATOM 221 CB SER C 15 -4.076 -10.357 -2.599 1.00 0.00 C ATOM 222 OG SER C 15 -4.705 -9.169 -3.050 1.00 0.00 O ATOM 0 H SER C 15 -4.970 -8.991 -0.745 1.00 0.00 H new ATOM 0 HA SER C 15 -3.057 -11.072 -0.864 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.408 -10.735 -3.373 1.00 0.00 H new ATOM 0 HB3 SER C 15 -4.828 -11.126 -2.423 1.00 0.00 H new ATOM 0 HG SER C 15 -5.536 -9.029 -2.550 1.00 0.00 H new ATOM 228 N VAL C 16 -2.033 -8.060 -1.563 1.00 0.00 N ATOM 229 CA VAL C 16 -0.844 -7.240 -1.672 1.00 0.00 C ATOM 230 C VAL C 16 0.022 -7.415 -0.429 1.00 0.00 C ATOM 231 O VAL C 16 1.251 -7.426 -0.519 1.00 0.00 O ATOM 232 CB VAL C 16 -1.199 -5.750 -1.855 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.053 -4.897 -1.972 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.085 -5.561 -3.074 1.00 0.00 C ATOM 0 H VAL C 16 -2.899 -7.533 -1.453 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.292 -7.566 -2.554 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.746 -5.424 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.229 -3.852 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.651 -5.003 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.636 -5.223 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.326 -4.504 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.561 -5.912 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.005 -6.131 -2.947 1.00 0.00 H new ATOM 244 N ASN C 17 -0.621 -7.601 0.727 1.00 0.00 N ATOM 245 CA ASN C 17 0.111 -7.790 1.980 1.00 0.00 C ATOM 246 C ASN C 17 0.971 -9.042 1.908 1.00 0.00 C ATOM 247 O ASN C 17 2.111 -9.051 2.372 1.00 0.00 O ATOM 248 CB ASN C 17 -0.844 -7.893 3.175 1.00 0.00 C ATOM 249 CG ASN C 17 -1.537 -6.584 3.486 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.994 -5.516 3.245 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.737 -6.660 4.034 1.00 0.00 N ATOM 0 H ASN C 17 -1.636 -7.625 0.820 1.00 0.00 H new ATOM 0 HA ASN C 17 0.749 -6.918 2.122 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.594 -8.656 2.970 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.287 -8.221 4.052 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.244 -5.807 4.272 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.156 -7.571 4.219 1.00 0.00 H new ATOM 258 N ASP C 18 0.424 -10.090 1.303 1.00 0.00 N ATOM 259 CA ASP C 18 1.131 -11.359 1.165 1.00 0.00 C ATOM 260 C ASP C 18 2.341 -11.232 0.249 1.00 0.00 C ATOM 261 O ASP C 18 3.311 -11.973 0.385 1.00 0.00 O ATOM 262 CB ASP C 18 0.200 -12.445 0.622 1.00 0.00 C ATOM 263 CG ASP C 18 -0.783 -12.947 1.658 1.00 0.00 C ATOM 264 OD1 ASP C 18 -0.384 -13.758 2.519 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.962 -12.543 1.614 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.512 -10.086 0.898 1.00 0.00 H new ATOM 0 HA ASP C 18 1.476 -11.640 2.160 1.00 0.00 H new ATOM 0 HB2 ASP C 18 -0.350 -12.052 -0.233 1.00 0.00 H new ATOM 0 HB3 ASP C 18 0.798 -13.281 0.259 1.00 0.00 H new ATOM 270 N LYS C 19 2.283 -10.295 -0.685 1.00 0.00 N ATOM 271 CA LYS C 19 3.359 -10.123 -1.652 1.00 0.00 C ATOM 272 C LYS C 19 4.395 -9.127 -1.148 1.00 0.00 C ATOM 273 O LYS C 19 5.570 -9.204 -1.501 1.00 0.00 O ATOM 274 CB LYS C 19 2.807 -9.679 -3.010 1.00 0.00 C ATOM 275 CG LYS C 19 2.465 -10.835 -3.942 1.00 0.00 C ATOM 276 CD LYS C 19 1.340 -11.701 -3.394 1.00 0.00 C ATOM 277 CE LYS C 19 1.143 -12.959 -4.227 1.00 0.00 C ATOM 278 NZ LYS C 19 0.889 -12.651 -5.659 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.506 -9.644 -0.795 1.00 0.00 H new ATOM 0 HA LYS C 19 3.849 -11.089 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS C 19 1.912 -9.077 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.540 -9.036 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS C 19 2.176 -10.441 -4.916 1.00 0.00 H new ATOM 0 HG3 LYS C 19 3.352 -11.449 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS C 19 1.562 -11.978 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS C 19 0.414 -11.127 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS C 19 2.028 -13.590 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS C 19 0.306 -13.531 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 0.578 -13.514 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 0.148 -11.925 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 1.763 -12.298 -6.099 1.00 0.00 H new ATOM 292 N LEU C 20 3.954 -8.190 -0.325 1.00 0.00 N ATOM 293 CA LEU C 20 4.848 -7.187 0.233 1.00 0.00 C ATOM 294 C LEU C 20 5.582 -7.716 1.456 1.00 0.00 C ATOM 295 O LEU C 20 6.694 -7.288 1.759 1.00 0.00 O ATOM 296 CB LEU C 20 4.073 -5.921 0.580 1.00 0.00 C ATOM 297 CG LEU C 20 3.494 -5.171 -0.623 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.930 -3.827 -0.195 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.554 -4.989 -1.703 1.00 0.00 C ATOM 0 H LEU C 20 2.982 -8.102 -0.028 1.00 0.00 H new ATOM 0 HA LEU C 20 5.595 -6.946 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.257 -6.185 1.253 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.732 -5.247 1.127 1.00 0.00 H new ATOM 0 HG LEU C 20 2.681 -5.766 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.523 -3.310 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.139 -3.981 0.538 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.723 -3.224 0.248 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.123 -4.454 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.390 -4.417 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.908 -5.965 -2.033 1.00 0.00 H new ATOM 311 N ASN C 21 4.967 -8.645 2.160 1.00 0.00 N ATOM 312 CA ASN C 21 5.633 -9.301 3.272 1.00 0.00 C ATOM 313 C ASN C 21 6.404 -10.517 2.754 1.00 0.00 C ATOM 314 O ASN C 21 5.983 -11.658 2.933 1.00 0.00 O ATOM 315 CB ASN C 21 4.613 -9.701 4.350 1.00 0.00 C ATOM 316 CG ASN C 21 4.142 -8.515 5.187 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.726 -8.207 6.227 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.082 -7.840 4.752 1.00 0.00 N ATOM 0 H ASN C 21 4.014 -8.963 1.985 1.00 0.00 H new ATOM 0 HA ASN C 21 6.340 -8.611 3.732 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.751 -10.168 3.873 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.059 -10.449 5.006 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.732 -7.043 5.284 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.619 -8.119 3.887 1.00 0.00 H new ATOM 325 N LYS C 22 7.532 -10.255 2.090 1.00 0.00 N ATOM 326 CA LYS C 22 8.283 -11.303 1.389 1.00 0.00 C ATOM 327 C LYS C 22 9.629 -11.632 2.043 1.00 0.00 C ATOM 328 O LYS C 22 10.154 -12.733 1.871 1.00 0.00 O ATOM 329 CB LYS C 22 8.503 -10.920 -0.088 1.00 0.00 C ATOM 330 CG LYS C 22 8.610 -9.417 -0.370 1.00 0.00 C ATOM 331 CD LYS C 22 9.764 -8.744 0.367 1.00 0.00 C ATOM 332 CE LYS C 22 9.864 -7.263 0.018 1.00 0.00 C ATOM 333 NZ LYS C 22 8.528 -6.615 -0.009 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.947 -9.326 2.022 1.00 0.00 H new ATOM 0 HA LYS C 22 7.670 -12.202 1.453 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.414 -11.404 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.680 -11.325 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.734 -9.264 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.675 -8.934 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS C 22 9.625 -8.857 1.442 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.699 -9.243 0.113 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.498 -6.759 0.747 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.344 -7.150 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 8.589 -5.675 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.211 -6.515 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 7.848 -7.200 0.516 1.00 0.00 H new ATOM 347 N GLY C 23 10.180 -10.696 2.795 1.00 0.00 N ATOM 348 CA GLY C 23 11.506 -10.883 3.354 1.00 0.00 C ATOM 349 C GLY C 23 12.024 -9.608 3.969 1.00 0.00 C ATOM 350 O GLY C 23 11.948 -9.429 5.180 1.00 0.00 O ATOM 0 H GLY C 23 9.736 -9.809 3.031 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.478 -11.669 4.109 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.189 -11.217 2.573 1.00 0.00 H new ATOM 354 N LYS C 24 12.561 -8.722 3.144 1.00 0.00 N ATOM 355 CA LYS C 24 12.873 -7.377 3.576 1.00 0.00 C ATOM 356 C LYS C 24 11.658 -6.500 3.332 1.00 0.00 C ATOM 357 O LYS C 24 10.631 -7.008 2.888 1.00 0.00 O ATOM 358 CB LYS C 24 14.067 -6.845 2.797 1.00 0.00 C ATOM 359 CG LYS C 24 15.025 -6.032 3.639 1.00 0.00 C ATOM 360 CD LYS C 24 16.240 -5.650 2.830 1.00 0.00 C ATOM 361 CE LYS C 24 17.245 -6.786 2.741 1.00 0.00 C ATOM 362 NZ LYS C 24 18.433 -6.417 1.927 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.789 -8.916 2.169 1.00 0.00 H new ATOM 0 HA LYS C 24 13.126 -7.374 4.636 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.606 -7.684 2.356 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.707 -6.229 1.973 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.526 -5.134 4.005 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.328 -6.607 4.514 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.930 -5.360 1.826 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.716 -4.779 3.280 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.566 -7.065 3.745 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.764 -7.662 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 19.093 -7.220 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.131 -6.175 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.907 -5.597 2.357 1.00 0.00 H new ATOM 376 N GLY C 25 11.780 -5.214 3.662 1.00 0.00 N ATOM 377 CA GLY C 25 10.775 -4.203 3.330 1.00 0.00 C ATOM 378 C GLY C 25 9.359 -4.701 3.247 1.00 0.00 C ATOM 379 O GLY C 25 8.884 -5.080 2.178 1.00 0.00 O ATOM 0 H GLY C 25 12.583 -4.842 4.170 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.820 -3.412 4.078 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.040 -3.753 2.373 1.00 0.00 H new ATOM 383 N LYS C 26 8.664 -4.659 4.352 1.00 0.00 N ATOM 384 CA LYS C 26 7.341 -5.244 4.395 1.00 0.00 C ATOM 385 C LYS C 26 6.286 -4.217 4.768 1.00 0.00 C ATOM 386 O LYS C 26 6.490 -3.398 5.662 1.00 0.00 O ATOM 387 CB LYS C 26 7.323 -6.438 5.344 1.00 0.00 C ATOM 388 CG LYS C 26 7.741 -6.129 6.773 1.00 0.00 C ATOM 389 CD LYS C 26 9.254 -6.155 6.951 1.00 0.00 C ATOM 390 CE LYS C 26 9.864 -7.429 6.399 1.00 0.00 C ATOM 391 NZ LYS C 26 11.144 -7.772 7.071 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.980 -4.234 5.224 1.00 0.00 H new ATOM 0 HA LYS C 26 7.093 -5.599 3.395 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.317 -6.857 5.358 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.983 -7.209 4.947 1.00 0.00 H new ATOM 0 HG2 LYS C 26 7.361 -5.148 7.056 1.00 0.00 H new ATOM 0 HG3 LYS C 26 7.285 -6.854 7.447 1.00 0.00 H new ATOM 0 HD2 LYS C 26 9.694 -5.294 6.448 1.00 0.00 H new ATOM 0 HD3 LYS C 26 9.497 -6.065 8.010 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.159 -8.251 6.522 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.036 -7.314 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 11.362 -8.776 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 11.909 -7.185 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 11.058 -7.595 8.092 1.00 0.00 H new ATOM 405 N LEU C 27 5.164 -4.271 4.063 1.00 0.00 N ATOM 406 CA LEU C 27 4.089 -3.310 4.249 1.00 0.00 C ATOM 407 C LEU C 27 2.770 -4.031 4.504 1.00 0.00 C ATOM 408 O LEU C 27 2.398 -4.937 3.761 1.00 0.00 O ATOM 409 CB LEU C 27 3.965 -2.405 3.014 1.00 0.00 C ATOM 410 CG LEU C 27 3.001 -1.227 3.165 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.419 -0.350 4.331 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.947 -0.416 1.879 1.00 0.00 C ATOM 0 H LEU C 27 4.975 -4.977 3.352 1.00 0.00 H new ATOM 0 HA LEU C 27 4.323 -2.692 5.116 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.953 -2.016 2.767 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.642 -3.013 2.169 1.00 0.00 H new ATOM 0 HG LEU C 27 2.004 -1.618 3.366 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.724 0.484 4.426 1.00 0.00 H new ATOM 0 HD12 LEU C 27 3.410 -0.937 5.249 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.424 0.034 4.156 1.00 0.00 H new ATOM 0 HD21 LEU C 27 2.257 0.418 2.004 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.941 -0.033 1.648 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.605 -1.051 1.062 1.00 0.00 H new ATOM 424 N SER C 28 2.093 -3.646 5.574 1.00 0.00 N ATOM 425 CA SER C 28 0.787 -4.198 5.896 1.00 0.00 C ATOM 426 C SER C 28 -0.296 -3.127 5.734 1.00 0.00 C ATOM 427 O SER C 28 -0.342 -2.157 6.490 1.00 0.00 O ATOM 428 CB SER C 28 0.790 -4.743 7.323 1.00 0.00 C ATOM 429 OG SER C 28 1.751 -5.780 7.467 1.00 0.00 O ATOM 0 H SER C 28 2.429 -2.949 6.238 1.00 0.00 H new ATOM 0 HA SER C 28 0.568 -5.015 5.209 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.010 -3.938 8.024 1.00 0.00 H new ATOM 0 HB3 SER C 28 -0.201 -5.122 7.574 1.00 0.00 H new ATOM 0 HG SER C 28 1.737 -6.113 8.389 1.00 0.00 H new ATOM 435 N LEU C 29 -1.146 -3.316 4.737 1.00 0.00 N ATOM 436 CA LEU C 29 -2.185 -2.353 4.369 1.00 0.00 C ATOM 437 C LEU C 29 -3.454 -2.570 5.168 1.00 0.00 C ATOM 438 O LEU C 29 -3.806 -3.709 5.484 1.00 0.00 O ATOM 439 CB LEU C 29 -2.530 -2.503 2.879 1.00 0.00 C ATOM 440 CG LEU C 29 -1.467 -2.066 1.855 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.139 -2.778 2.054 1.00 0.00 C ATOM 442 CD2 LEU C 29 -1.980 -2.331 0.452 1.00 0.00 C ATOM 0 H LEU C 29 -1.138 -4.151 4.151 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.795 -1.357 4.580 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.766 -3.551 2.692 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.438 -1.932 2.685 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.289 -1.001 2.003 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.575 -2.433 1.306 1.00 0.00 H new ATOM 0 HD12 LEU C 29 0.245 -2.559 3.050 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.283 -3.853 1.949 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -1.228 -2.022 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -2.183 -3.395 0.334 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -2.898 -1.766 0.287 1.00 0.00 H new ATOM 454 N SER C 30 -4.142 -1.478 5.502 1.00 0.00 N ATOM 455 CA SER C 30 -5.491 -1.591 6.001 1.00 0.00 C ATOM 456 C SER C 30 -6.291 -0.311 5.748 1.00 0.00 C ATOM 457 O SER C 30 -5.831 0.794 6.053 1.00 0.00 O ATOM 458 CB SER C 30 -5.498 -1.959 7.487 1.00 0.00 C ATOM 459 OG SER C 30 -4.712 -1.063 8.255 1.00 0.00 O ATOM 0 H SER C 30 -3.785 -0.525 5.434 1.00 0.00 H new ATOM 0 HA SER C 30 -5.978 -2.397 5.452 1.00 0.00 H new ATOM 0 HB2 SER C 30 -6.523 -1.953 7.858 1.00 0.00 H new ATOM 0 HB3 SER C 30 -5.119 -2.973 7.612 1.00 0.00 H new ATOM 0 HG SER C 30 -4.136 -0.540 7.659 1.00 0.00 H new ATOM 465 N MET C 31 -7.480 -0.471 5.173 1.00 0.00 N ATOM 466 CA MET C 31 -8.366 0.653 4.882 1.00 0.00 C ATOM 467 C MET C 31 -9.750 0.385 5.454 1.00 0.00 C ATOM 468 O MET C 31 -10.290 -0.707 5.288 1.00 0.00 O ATOM 469 CB MET C 31 -8.495 0.868 3.373 1.00 0.00 C ATOM 470 CG MET C 31 -7.184 1.140 2.665 1.00 0.00 C ATOM 471 SD MET C 31 -7.399 1.342 0.889 1.00 0.00 S ATOM 472 CE MET C 31 -5.707 1.600 0.373 1.00 0.00 C ATOM 0 H MET C 31 -7.855 -1.378 4.897 1.00 0.00 H new ATOM 0 HA MET C 31 -7.937 1.545 5.338 1.00 0.00 H new ATOM 0 HB2 MET C 31 -8.956 -0.015 2.931 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.171 1.704 3.194 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.730 2.040 3.079 1.00 0.00 H new ATOM 0 HG3 MET C 31 -6.493 0.318 2.854 1.00 0.00 H new ATOM 0 HE1 MET C 31 -5.657 1.617 -0.716 1.00 0.00 H new ATOM 0 HE2 MET C 31 -5.347 2.550 0.768 1.00 0.00 H new ATOM 0 HE3 MET C 31 -5.084 0.790 0.752 1.00 0.00 H new ATOM 482 N ASN C 32 -10.307 1.363 6.151 1.00 0.00 N ATOM 483 CA ASN C 32 -11.666 1.244 6.668 1.00 0.00 C ATOM 484 C ASN C 32 -12.324 2.616 6.781 1.00 0.00 C ATOM 485 O ASN C 32 -12.163 3.307 7.788 1.00 0.00 O ATOM 486 CB ASN C 32 -11.666 0.543 8.029 1.00 0.00 C ATOM 487 CG ASN C 32 -13.061 0.200 8.516 1.00 0.00 C ATOM 488 OD1 ASN C 32 -13.575 -0.885 8.240 1.00 0.00 O ATOM 489 ND2 ASN C 32 -13.680 1.111 9.251 1.00 0.00 N ATOM 0 H ASN C 32 -9.844 2.245 6.372 1.00 0.00 H new ATOM 0 HA ASN C 32 -12.243 0.641 5.966 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -11.075 -0.371 7.962 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -11.178 1.185 8.763 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -14.616 0.926 9.611 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -13.220 1.998 9.458 1.00 0.00 H new ATOM 496 N GLY C 33 -13.036 3.020 5.741 1.00 0.00 N ATOM 497 CA GLY C 33 -13.792 4.260 5.793 1.00 0.00 C ATOM 498 C GLY C 33 -12.930 5.500 5.614 1.00 0.00 C ATOM 499 O GLY C 33 -12.673 5.925 4.488 1.00 0.00 O ATOM 0 H GLY C 33 -13.106 2.513 4.859 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.557 4.243 5.017 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.310 4.321 6.750 1.00 0.00 H new ATOM 503 N ASN C 34 -12.489 6.089 6.724 1.00 0.00 N ATOM 504 CA ASN C 34 -11.687 7.308 6.677 1.00 0.00 C ATOM 505 C ASN C 34 -10.332 7.065 7.339 1.00 0.00 C ATOM 506 O ASN C 34 -9.743 7.961 7.945 1.00 0.00 O ATOM 507 CB ASN C 34 -12.416 8.469 7.368 1.00 0.00 C ATOM 508 CG ASN C 34 -11.946 9.846 6.901 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.707 10.812 6.937 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.704 9.954 6.448 1.00 0.00 N ATOM 0 H ASN C 34 -12.674 5.742 7.665 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.531 7.579 5.633 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.486 8.377 7.184 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.270 8.390 8.445 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.358 10.855 6.118 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.095 9.136 6.430 1.00 0.00 H new ATOM 517 N GLN C 35 -9.839 5.847 7.238 1.00 0.00 N ATOM 518 CA GLN C 35 -8.582 5.497 7.878 1.00 0.00 C ATOM 519 C GLN C 35 -7.610 4.850 6.898 1.00 0.00 C ATOM 520 O GLN C 35 -7.962 3.925 6.163 1.00 0.00 O ATOM 521 CB GLN C 35 -8.825 4.544 9.047 1.00 0.00 C ATOM 522 CG GLN C 35 -9.091 3.111 8.618 1.00 0.00 C ATOM 523 CD GLN C 35 -9.309 2.184 9.796 1.00 0.00 C ATOM 524 OE1 GLN C 35 -9.827 2.594 10.828 1.00 0.00 O ATOM 525 NE2 GLN C 35 -8.893 0.935 9.661 1.00 0.00 N ATOM 0 H GLN C 35 -10.284 5.087 6.724 1.00 0.00 H new ATOM 0 HA GLN C 35 -8.139 6.423 8.243 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -7.957 4.562 9.706 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.674 4.904 9.628 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -9.969 3.085 7.972 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -8.250 2.750 8.027 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -8.466 0.631 8.786 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -8.999 0.276 10.432 1.00 0.00 H new ATOM 534 N LEU C 36 -6.393 5.342 6.884 1.00 0.00 N ATOM 535 CA LEU C 36 -5.319 4.647 6.213 1.00 0.00 C ATOM 536 C LEU C 36 -4.218 4.425 7.216 1.00 0.00 C ATOM 537 O LEU C 36 -3.678 5.377 7.776 1.00 0.00 O ATOM 538 CB LEU C 36 -4.784 5.427 4.999 1.00 0.00 C ATOM 539 CG LEU C 36 -3.922 4.626 4.000 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.651 4.087 4.643 1.00 0.00 C ATOM 541 CD2 LEU C 36 -4.726 3.488 3.399 1.00 0.00 C ATOM 0 H LEU C 36 -6.122 6.219 7.329 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.697 3.700 5.828 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.633 5.846 4.459 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.193 6.267 5.365 1.00 0.00 H new ATOM 0 HG LEU C 36 -3.624 5.314 3.209 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.076 3.530 3.903 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.052 4.917 5.018 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -2.913 3.427 5.470 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.103 2.934 2.697 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.061 2.820 4.193 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -5.592 3.892 2.875 1.00 0.00 H new ATOM 553 N LYS C 37 -3.907 3.177 7.459 1.00 0.00 N ATOM 554 CA LYS C 37 -2.795 2.841 8.305 1.00 0.00 C ATOM 555 C LYS C 37 -2.083 1.649 7.700 1.00 0.00 C ATOM 556 O LYS C 37 -2.714 0.661 7.310 1.00 0.00 O ATOM 557 CB LYS C 37 -3.242 2.555 9.748 1.00 0.00 C ATOM 558 CG LYS C 37 -4.404 1.579 9.860 1.00 0.00 C ATOM 559 CD LYS C 37 -5.701 2.271 10.261 1.00 0.00 C ATOM 560 CE LYS C 37 -5.726 2.611 11.746 1.00 0.00 C ATOM 561 NZ LYS C 37 -7.013 3.240 12.154 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.412 2.376 7.080 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.113 3.689 8.362 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.394 2.159 10.307 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.525 3.495 10.222 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -4.545 1.073 8.905 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -4.162 0.811 10.595 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -5.821 3.184 9.677 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -6.546 1.626 10.022 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.566 1.704 12.328 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -4.903 3.287 11.977 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -6.987 3.455 13.171 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -7.155 4.120 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -7.797 2.585 11.958 1.00 0.00 H new ATOM 575 N ALA C 38 -0.786 1.766 7.589 1.00 0.00 N ATOM 576 CA ALA C 38 0.017 0.767 6.925 1.00 0.00 C ATOM 577 C ALA C 38 1.334 0.640 7.646 1.00 0.00 C ATOM 578 O ALA C 38 2.084 1.612 7.759 1.00 0.00 O ATOM 579 CB ALA C 38 0.229 1.135 5.463 1.00 0.00 C ATOM 0 H ALA C 38 -0.254 2.556 7.955 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.499 -0.193 6.950 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.837 0.370 4.980 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.736 1.203 4.961 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.739 2.096 5.400 1.00 0.00 H new ATOM 585 N THR C 39 1.611 -0.545 8.140 1.00 0.00 N ATOM 586 CA THR C 39 2.781 -0.750 8.952 1.00 0.00 C ATOM 587 C THR C 39 3.911 -1.309 8.116 1.00 0.00 C ATOM 588 O THR C 39 3.758 -2.317 7.421 1.00 0.00 O ATOM 589 CB THR C 39 2.496 -1.708 10.120 1.00 0.00 C ATOM 590 OG1 THR C 39 2.232 -3.014 9.603 1.00 0.00 O ATOM 591 CG2 THR C 39 1.306 -1.229 10.940 1.00 0.00 C ATOM 0 H THR C 39 1.041 -1.378 7.992 1.00 0.00 H new ATOM 0 HA THR C 39 3.068 0.219 9.359 1.00 0.00 H new ATOM 0 HB THR C 39 3.369 -1.735 10.772 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.662 -3.112 8.728 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.126 -1.924 11.760 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.517 -0.239 11.344 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.422 -1.180 10.304 1.00 0.00 H new ATOM 599 N SER C 40 5.028 -0.634 8.177 1.00 0.00 N ATOM 600 CA SER C 40 6.225 -1.068 7.509 1.00 0.00 C ATOM 601 C SER C 40 7.215 -1.531 8.549 1.00 0.00 C ATOM 602 O SER C 40 7.609 -0.765 9.430 1.00 0.00 O ATOM 603 CB SER C 40 6.800 0.073 6.677 1.00 0.00 C ATOM 604 OG SER C 40 7.046 1.212 7.481 1.00 0.00 O ATOM 0 H SER C 40 5.133 0.238 8.695 1.00 0.00 H new ATOM 0 HA SER C 40 6.002 -1.894 6.833 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.727 -0.249 6.203 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.106 0.331 5.877 1.00 0.00 H new ATOM 0 HG SER C 40 7.199 0.932 8.407 1.00 0.00 H new ATOM 610 N SER C 41 7.584 -2.787 8.476 1.00 0.00 N ATOM 611 CA SER C 41 8.513 -3.344 9.426 1.00 0.00 C ATOM 612 C SER C 41 9.881 -3.465 8.772 1.00 0.00 C ATOM 613 O SER C 41 10.046 -3.051 7.614 1.00 0.00 O ATOM 614 CB SER C 41 7.999 -4.699 9.929 1.00 0.00 C ATOM 615 OG SER C 41 8.772 -5.185 11.016 1.00 0.00 O ATOM 0 H SER C 41 7.254 -3.442 7.767 1.00 0.00 H new ATOM 0 HA SER C 41 8.605 -2.689 10.292 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.958 -4.601 10.238 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.023 -5.422 9.114 1.00 0.00 H new ATOM 0 HG SER C 41 8.415 -6.049 11.311 1.00 0.00 H new ATOM 621 N ASN C 42 10.825 -4.063 9.503 1.00 0.00 N ATOM 622 CA ASN C 42 12.237 -4.118 9.116 1.00 0.00 C ATOM 623 C ASN C 42 12.939 -2.817 9.476 1.00 0.00 C ATOM 624 O ASN C 42 13.917 -2.442 8.846 1.00 0.00 O ATOM 625 CB ASN C 42 12.418 -4.432 7.626 1.00 0.00 C ATOM 626 CG ASN C 42 13.445 -5.518 7.363 1.00 0.00 C ATOM 627 OD1 ASN C 42 13.310 -6.287 6.415 1.00 0.00 O ATOM 628 ND2 ASN C 42 14.478 -5.588 8.186 1.00 0.00 N ATOM 0 H ASN C 42 10.628 -4.528 10.390 1.00 0.00 H new ATOM 0 HA ASN C 42 12.693 -4.935 9.675 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.460 -4.739 7.207 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.718 -3.523 7.104 1.00 0.00 H new ATOM 0 HD21 ASN C 42 15.196 -6.298 8.044 1.00 0.00 H new ATOM 0 HD22 ASN C 42 14.556 -4.932 8.963 1.00 0.00 H new ATOM 635 N ALA C 43 12.410 -2.134 10.488 1.00 0.00 N ATOM 636 CA ALA C 43 13.053 -0.954 11.077 1.00 0.00 C ATOM 637 C ALA C 43 13.433 0.097 10.033 1.00 0.00 C ATOM 638 O ALA C 43 14.488 0.727 10.126 1.00 0.00 O ATOM 639 CB ALA C 43 14.276 -1.377 11.877 1.00 0.00 C ATOM 0 H ALA C 43 11.522 -2.380 10.926 1.00 0.00 H new ATOM 0 HA ALA C 43 12.325 -0.486 11.739 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.749 -0.496 12.312 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.973 -2.056 12.674 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.984 -1.882 11.220 1.00 0.00 H new ATOM 645 N GLY C 44 12.577 0.278 9.040 1.00 0.00 N ATOM 646 CA GLY C 44 12.804 1.312 8.049 1.00 0.00 C ATOM 647 C GLY C 44 13.573 0.831 6.831 1.00 0.00 C ATOM 648 O GLY C 44 13.754 1.591 5.877 1.00 0.00 O ATOM 0 H GLY C 44 11.729 -0.271 8.901 1.00 0.00 H new ATOM 0 HA2 GLY C 44 11.842 1.711 7.726 1.00 0.00 H new ATOM 0 HA3 GLY C 44 13.351 2.133 8.512 1.00 0.00 H new ATOM 652 N TYR C 45 14.047 -0.413 6.856 1.00 0.00 N ATOM 653 CA TYR C 45 14.734 -0.983 5.700 1.00 0.00 C ATOM 654 C TYR C 45 13.784 -1.100 4.520 1.00 0.00 C ATOM 655 O TYR C 45 12.590 -1.362 4.686 1.00 0.00 O ATOM 656 CB TYR C 45 15.316 -2.365 6.008 1.00 0.00 C ATOM 657 CG TYR C 45 16.567 -2.336 6.869 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.614 -2.957 8.116 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.712 -1.687 6.423 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.758 -2.930 8.884 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.860 -1.658 7.190 1.00 0.00 C ATOM 662 CZ TYR C 45 18.876 -2.280 8.419 1.00 0.00 C ATOM 663 OH TYR C 45 20.017 -2.257 9.186 1.00 0.00 O ATOM 0 H TYR C 45 13.969 -1.040 7.656 1.00 0.00 H new ATOM 0 HA TYR C 45 15.553 -0.308 5.453 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.556 -2.963 6.511 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.547 -2.867 5.069 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.738 -3.469 8.487 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.704 -1.197 5.461 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.776 -3.418 9.847 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.741 -1.150 6.828 1.00 0.00 H new ATOM 0 HH TYR C 45 20.717 -1.759 8.715 1.00 0.00 H new ATOM 673 N GLY C 46 14.325 -0.899 3.333 1.00 0.00 N ATOM 674 CA GLY C 46 13.537 -1.019 2.133 1.00 0.00 C ATOM 675 C GLY C 46 13.464 -2.442 1.646 1.00 0.00 C ATOM 676 O GLY C 46 13.867 -3.368 2.345 1.00 0.00 O ATOM 0 H GLY C 46 15.303 -0.653 3.180 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.530 -0.648 2.322 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.966 -0.390 1.353 1.00 0.00 H new ATOM 680 N ILE C 47 12.943 -2.608 0.445 1.00 0.00 N ATOM 681 CA ILE C 47 12.862 -3.914 -0.191 1.00 0.00 C ATOM 682 C ILE C 47 14.228 -4.520 -0.343 1.00 0.00 C ATOM 683 O ILE C 47 14.527 -5.578 0.201 1.00 0.00 O ATOM 684 CB ILE C 47 12.291 -3.796 -1.599 1.00 0.00 C ATOM 685 CG1 ILE C 47 10.902 -3.162 -1.571 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.280 -5.143 -2.305 1.00 0.00 C ATOM 687 CD1 ILE C 47 9.972 -3.759 -0.544 1.00 0.00 C ATOM 0 H ILE C 47 12.565 -1.846 -0.117 1.00 0.00 H new ATOM 0 HA ILE C 47 12.225 -4.531 0.443 1.00 0.00 H new ATOM 0 HB ILE C 47 12.942 -3.137 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.006 -2.095 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE C 47 10.449 -3.262 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE C 47 11.867 -5.025 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE C 47 13.298 -5.526 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.667 -5.845 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.007 -3.253 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.835 -4.821 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.400 -3.635 0.451 1.00 0.00 H new ATOM 699 N SER C 48 15.040 -3.851 -1.129 1.00 0.00 N ATOM 700 CA SER C 48 16.358 -4.329 -1.398 1.00 0.00 C ATOM 701 C SER C 48 17.219 -3.223 -1.991 1.00 0.00 C ATOM 702 O SER C 48 17.883 -2.482 -1.265 1.00 0.00 O ATOM 703 CB SER C 48 16.296 -5.549 -2.331 1.00 0.00 C ATOM 704 OG SER C 48 15.567 -5.250 -3.516 1.00 0.00 O ATOM 0 H SER C 48 14.801 -2.973 -1.590 1.00 0.00 H new ATOM 0 HA SER C 48 16.819 -4.640 -0.461 1.00 0.00 H new ATOM 0 HB2 SER C 48 17.307 -5.863 -2.591 1.00 0.00 H new ATOM 0 HB3 SER C 48 15.826 -6.384 -1.812 1.00 0.00 H new ATOM 0 HG SER C 48 15.643 -5.998 -4.145 1.00 0.00 H new ATOM 710 N TYR C 49 17.160 -3.095 -3.306 1.00 0.00 N ATOM 711 CA TYR C 49 17.958 -2.118 -4.031 1.00 0.00 C ATOM 712 C TYR C 49 17.481 -2.029 -5.476 1.00 0.00 C ATOM 713 O TYR C 49 18.188 -1.543 -6.356 1.00 0.00 O ATOM 714 CB TYR C 49 19.431 -2.537 -3.978 1.00 0.00 C ATOM 715 CG TYR C 49 19.704 -3.909 -4.602 1.00 0.00 C ATOM 716 CD1 TYR C 49 19.693 -5.062 -3.814 1.00 0.00 C ATOM 717 CD2 TYR C 49 19.959 -4.064 -5.969 1.00 0.00 C ATOM 718 CE1 TYR C 49 19.925 -6.308 -4.363 1.00 0.00 C ATOM 719 CE2 TYR C 49 20.191 -5.311 -6.517 1.00 0.00 C ATOM 720 CZ TYR C 49 20.172 -6.426 -5.711 1.00 0.00 C ATOM 721 OH TYR C 49 20.398 -7.669 -6.260 1.00 0.00 O ATOM 0 H TYR C 49 16.559 -3.664 -3.901 1.00 0.00 H new ATOM 0 HA TYR C 49 17.847 -1.136 -3.571 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.032 -1.787 -4.493 1.00 0.00 H new ATOM 0 HB3 TYR C 49 19.759 -2.549 -2.939 1.00 0.00 H new ATOM 0 HD1 TYR C 49 19.499 -4.978 -2.755 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.975 -3.193 -6.607 1.00 0.00 H new ATOM 0 HE1 TYR C 49 19.913 -7.187 -3.736 1.00 0.00 H new ATOM 0 HE2 TYR C 49 20.387 -5.410 -7.574 1.00 0.00 H new ATOM 0 HH TYR C 49 20.555 -7.578 -7.223 1.00 0.00 H new ATOM 731 N GLU C 50 16.261 -2.483 -5.706 1.00 0.00 N ATOM 732 CA GLU C 50 15.772 -2.695 -7.054 1.00 0.00 C ATOM 733 C GLU C 50 14.708 -1.674 -7.426 1.00 0.00 C ATOM 734 O GLU C 50 13.811 -1.369 -6.635 1.00 0.00 O ATOM 735 CB GLU C 50 15.227 -4.117 -7.170 1.00 0.00 C ATOM 736 CG GLU C 50 16.271 -5.176 -6.853 1.00 0.00 C ATOM 737 CD GLU C 50 15.688 -6.567 -6.754 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.475 -7.210 -7.804 1.00 0.00 O ATOM 739 OE2 GLU C 50 15.449 -7.032 -5.618 1.00 0.00 O1- ATOM 0 H GLU C 50 15.590 -2.712 -4.973 1.00 0.00 H new ATOM 0 HA GLU C 50 16.598 -2.565 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.381 -4.233 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU C 50 14.850 -4.276 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU C 50 17.039 -5.164 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU C 50 16.761 -4.925 -5.912 1.00 0.00 H new ATOM 746 N ASP C 51 14.828 -1.152 -8.636 1.00 0.00 N ATOM 747 CA ASP C 51 13.945 -0.107 -9.130 1.00 0.00 C ATOM 748 C ASP C 51 12.587 -0.687 -9.491 1.00 0.00 C ATOM 749 O ASP C 51 12.489 -1.538 -10.370 1.00 0.00 O ATOM 750 CB ASP C 51 14.541 0.552 -10.381 1.00 0.00 C ATOM 751 CG ASP C 51 15.900 1.182 -10.152 1.00 0.00 C ATOM 752 OD1 ASP C 51 16.833 0.469 -9.733 1.00 0.00 O ATOM 753 OD2 ASP C 51 16.045 2.394 -10.413 1.00 0.00 O1- ATOM 0 H ASP C 51 15.542 -1.441 -9.305 1.00 0.00 H new ATOM 0 HA ASP C 51 13.832 0.636 -8.340 1.00 0.00 H new ATOM 0 HB2 ASP C 51 14.626 -0.196 -11.169 1.00 0.00 H new ATOM 0 HB3 ASP C 51 13.852 1.317 -10.741 1.00 0.00 H new ATOM 758 N LYS C 52 11.546 -0.227 -8.819 1.00 0.00 N ATOM 759 CA LYS C 52 10.201 -0.669 -9.105 1.00 0.00 C ATOM 760 C LYS C 52 9.253 0.508 -9.046 1.00 0.00 C ATOM 761 O LYS C 52 9.283 1.297 -8.099 1.00 0.00 O ATOM 762 CB LYS C 52 9.746 -1.740 -8.117 1.00 0.00 C ATOM 763 CG LYS C 52 9.767 -3.153 -8.675 1.00 0.00 C ATOM 764 CD LYS C 52 11.169 -3.742 -8.696 1.00 0.00 C ATOM 765 CE LYS C 52 11.631 -4.145 -7.304 1.00 0.00 C ATOM 766 NZ LYS C 52 10.697 -5.109 -6.664 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.613 0.458 -8.066 1.00 0.00 H new ATOM 0 HA LYS C 52 10.194 -1.102 -10.105 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.386 -1.700 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.734 -1.507 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.117 -3.789 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.362 -3.148 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.188 -4.612 -9.352 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.864 -3.013 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS C 52 12.624 -4.590 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS C 52 11.718 -3.256 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 11.142 -5.512 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 9.821 -4.617 -6.396 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 10.474 -5.873 -7.333 1.00 0.00 H new ATOM 780 N ASN C 53 8.417 0.607 -10.054 1.00 0.00 N ATOM 781 CA ASN C 53 7.430 1.663 -10.139 1.00 0.00 C ATOM 782 C ASN C 53 6.165 1.252 -9.407 1.00 0.00 C ATOM 783 O ASN C 53 5.567 0.213 -9.691 1.00 0.00 O ATOM 784 CB ASN C 53 7.120 1.993 -11.605 1.00 0.00 C ATOM 785 CG ASN C 53 6.696 0.777 -12.415 1.00 0.00 C ATOM 786 OD1 ASN C 53 7.136 -0.350 -12.172 1.00 0.00 O ATOM 787 ND2 ASN C 53 5.851 1.006 -13.398 1.00 0.00 N ATOM 0 H ASN C 53 8.401 -0.043 -10.840 1.00 0.00 H new ATOM 0 HA ASN C 53 7.833 2.558 -9.666 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.328 2.741 -11.643 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.002 2.439 -12.065 1.00 0.00 H new ATOM 0 HD21 ASN C 53 5.537 0.237 -13.990 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.510 1.952 -13.567 1.00 0.00 H new ATOM 794 N TRP C 54 5.782 2.059 -8.438 1.00 0.00 N ATOM 795 CA TRP C 54 4.701 1.714 -7.542 1.00 0.00 C ATOM 796 C TRP C 54 3.505 2.644 -7.661 1.00 0.00 C ATOM 797 O TRP C 54 3.630 3.759 -8.159 1.00 0.00 O ATOM 798 CB TRP C 54 5.218 1.767 -6.135 1.00 0.00 C ATOM 799 CG TRP C 54 5.091 0.476 -5.457 1.00 0.00 C ATOM 800 CD1 TRP C 54 6.004 -0.516 -5.375 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.943 0.042 -4.794 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.476 -1.568 -4.655 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.194 -1.235 -4.286 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.725 0.641 -4.578 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.232 -1.931 -3.565 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.784 -0.029 -3.879 1.00 0.00 C ATOM 807 CH2 TRP C 54 2.032 -1.312 -3.371 1.00 0.00 C ATOM 0 H TRP C 54 6.209 2.966 -8.252 1.00 0.00 H new ATOM 0 HA TRP C 54 4.357 0.716 -7.812 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.265 2.071 -6.144 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.671 2.526 -5.576 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.994 -0.490 -5.806 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.954 -2.442 -4.435 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.524 1.631 -4.961 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 3.426 -2.919 -3.175 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.822 0.432 -3.708 1.00 0.00 H new ATOM 0 HH2 TRP C 54 1.258 -1.820 -2.815 1.00 0.00 H new ATOM 818 N GLY C 55 2.342 2.204 -7.166 1.00 0.00 N ATOM 819 CA GLY C 55 1.162 2.997 -7.337 1.00 0.00 C ATOM 820 C GLY C 55 0.099 2.814 -6.281 1.00 0.00 C ATOM 821 O GLY C 55 -0.053 1.740 -5.704 1.00 0.00 O ATOM 0 H GLY C 55 2.213 1.327 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.451 4.048 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.727 2.766 -8.309 1.00 0.00 H new ATOM 825 N ILE C 56 -0.624 3.887 -6.018 1.00 0.00 N ATOM 826 CA ILE C 56 -1.876 3.799 -5.287 1.00 0.00 C ATOM 827 C ILE C 56 -2.997 4.379 -6.134 1.00 0.00 C ATOM 828 O ILE C 56 -2.893 5.502 -6.639 1.00 0.00 O ATOM 829 CB ILE C 56 -1.817 4.511 -3.924 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.682 3.926 -3.100 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.139 4.359 -3.184 1.00 0.00 C ATOM 832 CD1 ILE C 56 -0.597 4.478 -1.694 1.00 0.00 C ATOM 0 H ILE C 56 -0.365 4.832 -6.300 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.066 2.745 -5.083 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.638 5.574 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.804 2.844 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.261 4.116 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.078 4.869 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.941 4.798 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.345 3.301 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.237 4.012 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.443 5.556 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.524 4.264 -1.163 1.00 0.00 H new ATOM 844 N PHE C 57 -4.051 3.600 -6.302 1.00 0.00 N ATOM 845 CA PHE C 57 -5.144 3.962 -7.186 1.00 0.00 C ATOM 846 C PHE C 57 -6.462 4.018 -6.427 1.00 0.00 C ATOM 847 O PHE C 57 -6.997 2.989 -6.022 1.00 0.00 O ATOM 848 CB PHE C 57 -5.262 2.936 -8.315 1.00 0.00 C ATOM 849 CG PHE C 57 -3.966 2.646 -9.015 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.139 1.624 -8.575 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.578 3.389 -10.113 1.00 0.00 C ATOM 852 CE1 PHE C 57 -1.949 1.353 -9.218 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.390 3.122 -10.761 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.574 2.102 -10.313 1.00 0.00 C ATOM 0 H PHE C 57 -4.173 2.703 -5.832 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.932 4.948 -7.599 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.659 2.006 -7.907 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.985 3.297 -9.046 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.430 1.033 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.212 4.188 -10.468 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.312 0.556 -8.864 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.098 3.710 -11.618 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.644 1.891 -10.820 1.00 0.00 H new ATOM 864 N VAL C 58 -6.981 5.215 -6.232 1.00 0.00 N ATOM 865 CA VAL C 58 -8.290 5.380 -5.627 1.00 0.00 C ATOM 866 C VAL C 58 -9.356 5.388 -6.717 1.00 0.00 C ATOM 867 O VAL C 58 -9.477 6.349 -7.478 1.00 0.00 O ATOM 868 CB VAL C 58 -8.376 6.669 -4.766 1.00 0.00 C ATOM 869 CG1 VAL C 58 -7.851 7.873 -5.528 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.804 6.918 -4.297 1.00 0.00 C ATOM 0 H VAL C 58 -6.517 6.088 -6.483 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.462 4.539 -4.955 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.747 6.521 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -7.924 8.761 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -6.809 7.705 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -8.443 8.018 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.836 7.827 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.457 7.032 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -10.142 6.074 -3.696 1.00 0.00 H new ATOM 880 N ASN C 59 -10.092 4.286 -6.813 1.00 0.00 N ATOM 881 CA ASN C 59 -11.132 4.126 -7.830 1.00 0.00 C ATOM 882 C ASN C 59 -10.527 4.172 -9.234 1.00 0.00 C ATOM 883 O ASN C 59 -11.180 4.594 -10.187 1.00 0.00 O ATOM 884 CB ASN C 59 -12.206 5.214 -7.694 1.00 0.00 C ATOM 885 CG ASN C 59 -12.802 5.294 -6.300 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.933 4.289 -5.601 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.150 6.500 -5.883 1.00 0.00 N ATOM 0 H ASN C 59 -9.988 3.482 -6.194 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.598 3.153 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.771 6.179 -7.952 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.003 5.021 -8.412 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -13.544 6.623 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.025 7.307 -6.494 1.00 0.00 H new ATOM 894 N GLY C 60 -9.273 3.742 -9.353 1.00 0.00 N ATOM 895 CA GLY C 60 -8.599 3.759 -10.641 1.00 0.00 C ATOM 896 C GLY C 60 -7.904 5.079 -10.923 1.00 0.00 C ATOM 897 O GLY C 60 -7.370 5.289 -12.013 1.00 0.00 O ATOM 0 H GLY C 60 -8.712 3.382 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -7.866 2.953 -10.673 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.325 3.560 -11.429 1.00 0.00 H new ATOM 901 N GLU C 61 -7.912 5.968 -9.945 1.00 0.00 N ATOM 902 CA GLU C 61 -7.309 7.284 -10.097 1.00 0.00 C ATOM 903 C GLU C 61 -6.034 7.387 -9.262 1.00 0.00 C ATOM 904 O GLU C 61 -5.960 6.855 -8.155 1.00 0.00 O ATOM 905 CB GLU C 61 -8.320 8.351 -9.672 1.00 0.00 C ATOM 906 CG GLU C 61 -7.825 9.778 -9.814 1.00 0.00 C ATOM 907 CD GLU C 61 -8.867 10.783 -9.377 1.00 0.00 C ATOM 908 OE1 GLU C 61 -9.177 10.831 -8.170 1.00 0.00 O ATOM 909 OE2 GLU C 61 -9.385 11.528 -10.238 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.332 5.802 -9.030 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.039 7.441 -11.141 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.226 8.233 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.597 8.178 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -6.922 9.910 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.553 9.966 -10.853 1.00 0.00 H new ATOM 916 N LYS C 62 -5.030 8.063 -9.807 1.00 0.00 N ATOM 917 CA LYS C 62 -3.751 8.230 -9.125 1.00 0.00 C ATOM 918 C LYS C 62 -3.902 9.095 -7.878 1.00 0.00 C ATOM 919 O LYS C 62 -4.345 10.242 -7.957 1.00 0.00 O ATOM 920 CB LYS C 62 -2.727 8.881 -10.058 1.00 0.00 C ATOM 921 CG LYS C 62 -2.312 8.025 -11.245 1.00 0.00 C ATOM 922 CD LYS C 62 -1.522 6.802 -10.811 1.00 0.00 C ATOM 923 CE LYS C 62 -0.819 6.150 -11.992 1.00 0.00 C ATOM 924 NZ LYS C 62 -1.770 5.757 -13.065 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.077 8.507 -10.724 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.405 7.239 -8.832 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.140 9.818 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.838 9.132 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -3.200 7.709 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.710 8.622 -11.931 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.786 7.090 -10.060 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -2.192 6.082 -10.341 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -0.080 6.840 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.277 5.269 -11.649 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 -1.323 5.050 -13.683 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 -2.627 5.351 -12.638 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 -2.026 6.595 -13.626 1.00 0.00 H new ATOM 938 N VAL C 63 -3.541 8.539 -6.732 1.00 0.00 N ATOM 939 CA VAL C 63 -3.524 9.297 -5.486 1.00 0.00 C ATOM 940 C VAL C 63 -2.094 9.472 -4.977 1.00 0.00 C ATOM 941 O VAL C 63 -1.728 10.539 -4.479 1.00 0.00 O ATOM 942 CB VAL C 63 -4.420 8.642 -4.397 1.00 0.00 C ATOM 943 CG1 VAL C 63 -4.454 7.136 -4.555 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.945 8.997 -2.992 1.00 0.00 C ATOM 0 H VAL C 63 -3.255 7.565 -6.637 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.939 10.282 -5.700 1.00 0.00 H new ATOM 0 HB VAL C 63 -5.426 9.038 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -5.088 6.703 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -4.855 6.882 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -3.444 6.737 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.595 8.522 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.923 8.645 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -3.977 10.078 -2.859 1.00 0.00 H new ATOM 954 N TYR C 64 -1.282 8.435 -5.127 1.00 0.00 N ATOM 955 CA TYR C 64 0.096 8.476 -4.657 1.00 0.00 C ATOM 956 C TYR C 64 0.946 7.462 -5.419 1.00 0.00 C ATOM 957 O TYR C 64 0.432 6.461 -5.919 1.00 0.00 O ATOM 958 CB TYR C 64 0.143 8.195 -3.148 1.00 0.00 C ATOM 959 CG TYR C 64 1.523 8.321 -2.539 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.085 9.567 -2.294 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.263 7.193 -2.215 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.346 9.684 -1.745 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.525 7.302 -1.663 1.00 0.00 C ATOM 964 CZ TYR C 64 4.064 8.550 -1.432 1.00 0.00 C ATOM 965 OH TYR C 64 5.324 8.662 -0.885 1.00 0.00 O ATOM 0 H TYR C 64 -1.553 7.557 -5.569 1.00 0.00 H new ATOM 0 HA TYR C 64 0.504 9.470 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.531 8.884 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR C 64 -0.233 7.188 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR C 64 1.526 10.459 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.846 6.214 -2.397 1.00 0.00 H new ATOM 0 HE1 TYR C 64 3.769 10.661 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.087 6.414 -1.414 1.00 0.00 H new ATOM 0 HH TYR C 64 5.691 7.768 -0.723 1.00 0.00 H new ATOM 975 N THR C 65 2.240 7.738 -5.518 1.00 0.00 N ATOM 976 CA THR C 65 3.172 6.839 -6.182 1.00 0.00 C ATOM 977 C THR C 65 4.500 6.822 -5.421 1.00 0.00 C ATOM 978 O THR C 65 4.789 7.754 -4.665 1.00 0.00 O ATOM 979 CB THR C 65 3.421 7.285 -7.643 1.00 0.00 C ATOM 980 OG1 THR C 65 4.118 6.266 -8.370 1.00 0.00 O ATOM 981 CG2 THR C 65 4.233 8.571 -7.697 1.00 0.00 C ATOM 0 H THR C 65 2.669 8.584 -5.143 1.00 0.00 H new ATOM 0 HA THR C 65 2.738 5.839 -6.193 1.00 0.00 H new ATOM 0 HB THR C 65 2.446 7.460 -8.098 1.00 0.00 H new ATOM 0 HG1 THR C 65 3.566 5.457 -8.410 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.391 8.858 -8.737 1.00 0.00 H new ATOM 0 HG22 THR C 65 3.693 9.364 -7.180 1.00 0.00 H new ATOM 0 HG23 THR C 65 5.197 8.413 -7.214 1.00 0.00 H new ATOM 989 N PHE C 66 5.302 5.775 -5.608 1.00 0.00 N ATOM 990 CA PHE C 66 6.612 5.697 -4.964 1.00 0.00 C ATOM 991 C PHE C 66 7.466 4.585 -5.571 1.00 0.00 C ATOM 992 O PHE C 66 7.096 3.988 -6.579 1.00 0.00 O ATOM 993 CB PHE C 66 6.475 5.507 -3.443 1.00 0.00 C ATOM 994 CG PHE C 66 5.793 4.239 -2.996 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.416 4.192 -2.827 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.538 3.105 -2.703 1.00 0.00 C ATOM 997 CE1 PHE C 66 3.798 3.041 -2.375 1.00 0.00 C ATOM 998 CE2 PHE C 66 5.924 1.951 -2.258 1.00 0.00 C ATOM 999 CZ PHE C 66 4.554 1.919 -2.092 1.00 0.00 C ATOM 0 H PHE C 66 5.070 4.974 -6.196 1.00 0.00 H new ATOM 0 HA PHE C 66 7.119 6.645 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.471 5.536 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.923 6.355 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE C 66 3.821 5.065 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.611 3.126 -2.825 1.00 0.00 H new ATOM 0 HE1 PHE C 66 2.726 3.019 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE C 66 6.515 1.074 -2.040 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.073 1.018 -1.741 1.00 0.00 H new ATOM 1009 N ASN C 67 8.618 4.332 -4.962 1.00 0.00 N ATOM 1010 CA ASN C 67 9.552 3.314 -5.440 1.00 0.00 C ATOM 1011 C ASN C 67 9.953 2.388 -4.293 1.00 0.00 C ATOM 1012 O ASN C 67 10.201 2.842 -3.182 1.00 0.00 O ATOM 1013 CB ASN C 67 10.799 3.986 -6.023 1.00 0.00 C ATOM 1014 CG ASN C 67 10.570 4.645 -7.375 1.00 0.00 C ATOM 1015 OD1 ASN C 67 11.152 5.688 -7.666 1.00 0.00 O ATOM 1016 ND2 ASN C 67 9.744 4.042 -8.217 1.00 0.00 N ATOM 0 H ASN C 67 8.933 4.824 -4.125 1.00 0.00 H new ATOM 0 HA ASN C 67 9.064 2.725 -6.217 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.157 4.738 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.588 3.241 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN C 67 9.574 4.442 -9.140 1.00 0.00 H new ATOM 0 HD22 ASN C 67 9.278 3.177 -7.943 1.00 0.00 H new ATOM 1023 N GLU C 68 10.022 1.087 -4.585 1.00 0.00 N ATOM 1024 CA GLU C 68 10.259 0.054 -3.565 1.00 0.00 C ATOM 1025 C GLU C 68 11.608 0.174 -2.869 1.00 0.00 C ATOM 1026 O GLU C 68 11.735 -0.167 -1.695 1.00 0.00 O ATOM 1027 CB GLU C 68 10.167 -1.336 -4.184 1.00 0.00 C ATOM 1028 CG GLU C 68 8.810 -1.995 -4.024 1.00 0.00 C ATOM 1029 CD GLU C 68 8.777 -3.408 -4.576 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.651 -3.572 -5.804 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.875 -4.365 -3.787 1.00 0.00 O1- ATOM 0 H GLU C 68 9.916 0.718 -5.530 1.00 0.00 H new ATOM 0 HA GLU C 68 9.483 0.207 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.402 -1.266 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.925 -1.975 -3.731 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.543 -2.016 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.056 -1.393 -4.532 1.00 0.00 H new ATOM 1038 N LYS C 69 12.618 0.633 -3.586 1.00 0.00 N ATOM 1039 CA LYS C 69 13.974 0.659 -3.048 1.00 0.00 C ATOM 1040 C LYS C 69 14.205 1.893 -2.184 1.00 0.00 C ATOM 1041 O LYS C 69 15.347 2.286 -1.929 1.00 0.00 O ATOM 1042 CB LYS C 69 14.986 0.611 -4.184 1.00 0.00 C ATOM 1043 CG LYS C 69 14.875 1.790 -5.122 1.00 0.00 C ATOM 1044 CD LYS C 69 15.645 1.540 -6.405 1.00 0.00 C ATOM 1045 CE LYS C 69 15.667 2.770 -7.293 1.00 0.00 C ATOM 1046 NZ LYS C 69 16.398 3.899 -6.663 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.530 0.992 -4.537 1.00 0.00 H new ATOM 0 HA LYS C 69 14.104 -0.219 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.992 0.579 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.847 -0.311 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.826 1.977 -5.354 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.258 2.686 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS C 69 16.667 1.246 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.192 0.709 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.136 2.521 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS C 69 14.644 3.077 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 16.626 4.611 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 15.803 4.330 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.278 3.547 -6.235 1.00 0.00 H new ATOM 1060 N SER C 70 13.121 2.503 -1.741 1.00 0.00 N ATOM 1061 CA SER C 70 13.208 3.624 -0.834 1.00 0.00 C ATOM 1062 C SER C 70 13.216 3.098 0.605 1.00 0.00 C ATOM 1063 O SER C 70 13.689 1.985 0.858 1.00 0.00 O ATOM 1064 CB SER C 70 12.027 4.573 -1.058 1.00 0.00 C ATOM 1065 OG SER C 70 10.793 3.898 -0.890 1.00 0.00 O ATOM 0 H SER C 70 12.170 2.238 -1.997 1.00 0.00 H new ATOM 0 HA SER C 70 14.127 4.180 -1.018 1.00 0.00 H new ATOM 0 HB2 SER C 70 12.088 5.406 -0.358 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.081 4.995 -2.061 1.00 0.00 H new ATOM 0 HG SER C 70 10.553 3.443 -1.724 1.00 0.00 H new ATOM 1071 N THR C 71 12.709 3.883 1.542 1.00 0.00 N ATOM 1072 CA THR C 71 12.505 3.409 2.887 1.00 0.00 C ATOM 1073 C THR C 71 11.007 3.312 3.147 1.00 0.00 C ATOM 1074 O THR C 71 10.302 4.325 3.182 1.00 0.00 O ATOM 1075 CB THR C 71 13.186 4.332 3.913 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.858 5.699 3.645 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.694 4.154 3.875 1.00 0.00 C ATOM 0 H THR C 71 12.433 4.853 1.388 1.00 0.00 H new ATOM 0 HA THR C 71 12.959 2.424 2.997 1.00 0.00 H new ATOM 0 HB THR C 71 12.824 4.063 4.905 1.00 0.00 H new ATOM 0 HG1 THR C 71 12.908 6.216 4.476 1.00 0.00 H new ATOM 0 HG21 THR C 71 15.157 4.815 4.608 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.944 3.120 4.110 1.00 0.00 H new ATOM 0 HG23 THR C 71 15.064 4.399 2.880 1.00 0.00 H new ATOM 1085 N VAL C 72 10.525 2.087 3.311 1.00 0.00 N ATOM 1086 CA VAL C 72 9.091 1.808 3.320 1.00 0.00 C ATOM 1087 C VAL C 72 8.380 2.496 4.484 1.00 0.00 C ATOM 1088 O VAL C 72 7.160 2.583 4.495 1.00 0.00 O ATOM 1089 CB VAL C 72 8.803 0.285 3.370 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.449 -0.030 2.763 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.892 -0.508 2.662 1.00 0.00 C ATOM 0 H VAL C 72 11.111 1.262 3.441 1.00 0.00 H new ATOM 0 HA VAL C 72 8.699 2.212 2.386 1.00 0.00 H new ATOM 0 HB VAL C 72 8.793 -0.011 4.419 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.270 -1.104 2.810 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.671 0.492 3.319 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.432 0.296 1.723 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.660 -1.572 2.715 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.946 -0.200 1.618 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.851 -0.321 3.145 1.00 0.00 H new ATOM 1101 N GLY C 73 9.141 3.013 5.436 1.00 0.00 N ATOM 1102 CA GLY C 73 8.541 3.668 6.584 1.00 0.00 C ATOM 1103 C GLY C 73 8.214 5.110 6.298 1.00 0.00 C ATOM 1104 O GLY C 73 7.179 5.617 6.731 1.00 0.00 O ATOM 0 H GLY C 73 10.161 2.992 5.437 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.632 3.139 6.870 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.223 3.611 7.432 1.00 0.00 H new ATOM 1108 N ASN C 74 9.085 5.773 5.551 1.00 0.00 N ATOM 1109 CA ASN C 74 8.810 7.136 5.130 1.00 0.00 C ATOM 1110 C ASN C 74 7.660 7.115 4.142 1.00 0.00 C ATOM 1111 O ASN C 74 6.813 8.006 4.125 1.00 0.00 O ATOM 1112 CB ASN C 74 10.042 7.788 4.493 1.00 0.00 C ATOM 1113 CG ASN C 74 11.229 7.876 5.439 1.00 0.00 C ATOM 1114 OD1 ASN C 74 12.376 7.928 5.001 1.00 0.00 O ATOM 1115 ND2 ASN C 74 10.970 7.859 6.737 1.00 0.00 N ATOM 0 H ASN C 74 9.976 5.395 5.228 1.00 0.00 H new ATOM 0 HA ASN C 74 8.546 7.729 6.006 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.331 7.218 3.610 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.780 8.790 4.154 1.00 0.00 H new ATOM 0 HD21 ASN C 74 11.736 7.889 7.410 1.00 0.00 H new ATOM 0 HD22 ASN C 74 10.005 7.815 7.064 1.00 0.00 H new ATOM 1122 N ILE C 75 7.628 6.062 3.340 1.00 0.00 N ATOM 1123 CA ILE C 75 6.567 5.870 2.374 1.00 0.00 C ATOM 1124 C ILE C 75 5.250 5.549 3.069 1.00 0.00 C ATOM 1125 O ILE C 75 4.278 6.294 2.942 1.00 0.00 O ATOM 1126 CB ILE C 75 6.900 4.725 1.398 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.217 5.001 0.668 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.764 4.528 0.409 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.225 6.290 -0.124 1.00 0.00 C ATOM 0 H ILE C 75 8.332 5.324 3.343 1.00 0.00 H new ATOM 0 HA ILE C 75 6.471 6.802 1.818 1.00 0.00 H new ATOM 0 HB ILE C 75 7.020 3.806 1.971 1.00 0.00 H new ATOM 0 HG12 ILE C 75 9.026 5.031 1.398 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.427 4.171 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.013 3.716 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.850 4.280 0.949 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.612 5.446 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.193 6.412 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.440 6.258 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.048 7.130 0.547 1.00 0.00 H new ATOM 1141 N SER C 76 5.242 4.447 3.816 1.00 0.00 N ATOM 1142 CA SER C 76 4.016 3.907 4.394 1.00 0.00 C ATOM 1143 C SER C 76 3.228 4.940 5.166 1.00 0.00 C ATOM 1144 O SER C 76 2.088 5.239 4.836 1.00 0.00 O ATOM 1145 CB SER C 76 4.318 2.720 5.305 1.00 0.00 C ATOM 1146 OG SER C 76 5.203 3.080 6.353 1.00 0.00 O ATOM 0 H SER C 76 6.079 3.907 4.036 1.00 0.00 H new ATOM 0 HA SER C 76 3.405 3.581 3.553 1.00 0.00 H new ATOM 0 HB2 SER C 76 3.388 2.339 5.728 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.756 1.912 4.719 1.00 0.00 H new ATOM 0 HG SER C 76 5.681 2.284 6.665 1.00 0.00 H new ATOM 1152 N ASN C 77 3.834 5.482 6.189 1.00 0.00 N ATOM 1153 CA ASN C 77 3.108 6.353 7.099 1.00 0.00 C ATOM 1154 C ASN C 77 2.791 7.729 6.512 1.00 0.00 C ATOM 1155 O ASN C 77 1.936 8.434 7.051 1.00 0.00 O ATOM 1156 CB ASN C 77 3.790 6.463 8.455 1.00 0.00 C ATOM 1157 CG ASN C 77 3.465 5.279 9.358 1.00 0.00 C ATOM 1158 OD1 ASN C 77 4.291 4.853 10.162 1.00 0.00 O ATOM 1159 ND2 ASN C 77 2.245 4.752 9.245 1.00 0.00 N ATOM 0 H ASN C 77 4.818 5.343 6.419 1.00 0.00 H new ATOM 0 HA ASN C 77 2.144 5.867 7.254 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.869 6.525 8.314 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.479 7.387 8.943 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.971 3.968 9.838 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.586 5.133 8.566 1.00 0.00 H new ATOM 1166 N ASP C 78 3.446 8.131 5.422 1.00 0.00 N ATOM 1167 CA ASP C 78 2.970 9.310 4.692 1.00 0.00 C ATOM 1168 C ASP C 78 1.663 8.978 4.017 1.00 0.00 C ATOM 1169 O ASP C 78 0.760 9.808 3.937 1.00 0.00 O ATOM 1170 CB ASP C 78 3.953 9.810 3.642 1.00 0.00 C ATOM 1171 CG ASP C 78 4.834 10.935 4.156 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.832 10.656 4.852 1.00 0.00 O ATOM 1173 OD2 ASP C 78 4.533 12.115 3.863 1.00 0.00 O1- ATOM 0 H ASP C 78 4.275 7.680 5.035 1.00 0.00 H new ATOM 0 HA ASP C 78 2.851 10.108 5.425 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.582 8.982 3.314 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.401 10.156 2.768 1.00 0.00 H new ATOM 1178 N ILE C 79 1.569 7.738 3.552 1.00 0.00 N ATOM 1179 CA ILE C 79 0.330 7.203 3.018 1.00 0.00 C ATOM 1180 C ILE C 79 -0.767 7.275 4.083 1.00 0.00 C ATOM 1181 O ILE C 79 -1.959 7.284 3.778 1.00 0.00 O ATOM 1182 CB ILE C 79 0.515 5.740 2.540 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.545 5.674 1.410 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -0.805 5.136 2.087 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.875 4.260 0.977 1.00 0.00 C ATOM 0 H ILE C 79 2.348 7.080 3.536 1.00 0.00 H new ATOM 0 HA ILE C 79 0.038 7.805 2.157 1.00 0.00 H new ATOM 0 HB ILE C 79 0.880 5.156 3.385 1.00 0.00 H new ATOM 0 HG12 ILE C 79 1.168 6.230 0.552 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.460 6.170 1.733 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.642 4.110 1.758 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.512 5.143 2.917 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.209 5.722 1.261 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.611 4.288 0.173 1.00 0.00 H new ATOM 0 HD12 ILE C 79 2.282 3.706 1.823 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.970 3.767 0.623 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.355 7.370 5.344 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.313 7.454 6.433 1.00 0.00 C ATOM 1199 C ASN C 80 -1.772 8.881 6.629 1.00 0.00 C ATOM 1200 O ASN C 80 -2.925 9.119 6.966 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.756 6.942 7.767 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.371 5.477 7.776 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.575 4.784 8.767 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.235 5.003 6.707 1.00 0.00 N ATOM 0 H ASN C 80 0.624 7.390 5.631 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.146 6.814 6.143 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.120 7.535 8.030 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.501 7.112 8.544 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.550 4.033 6.687 1.00 0.00 H new ATOM 0 HD22 ASN C 80 0.389 5.606 5.899 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.861 9.827 6.432 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.204 11.240 6.500 1.00 0.00 C ATOM 1213 C LYS C 81 -2.372 11.519 5.565 1.00 0.00 C ATOM 1214 O LYS C 81 -3.310 12.233 5.908 1.00 0.00 O ATOM 1215 CB LYS C 81 0.010 12.094 6.124 1.00 0.00 C ATOM 1216 CG LYS C 81 1.131 12.038 7.152 1.00 0.00 C ATOM 1217 CD LYS C 81 2.464 12.492 6.576 1.00 0.00 C ATOM 1218 CE LYS C 81 2.419 13.917 6.054 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.699 14.292 5.397 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.120 9.640 6.224 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.497 11.498 7.518 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.394 11.761 5.160 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.308 13.129 6.000 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.872 12.667 8.004 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.227 11.019 7.526 1.00 0.00 H new ATOM 0 HD2 LYS C 81 3.233 12.415 7.345 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.753 11.821 5.767 1.00 0.00 H new ATOM 0 HE2 LYS C 81 1.599 14.021 5.343 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.216 14.602 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 3.553 15.137 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.415 14.496 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 4.026 13.506 4.799 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.327 10.883 4.406 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.388 10.978 3.411 1.00 0.00 C ATOM 1235 C LEU C 82 -4.742 10.643 4.039 1.00 0.00 C ATOM 1236 O LEU C 82 -5.748 11.291 3.748 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.107 9.990 2.275 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.628 9.819 1.889 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.506 8.871 0.704 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.996 11.164 1.551 1.00 0.00 C ATOM 0 H LEU C 82 -1.551 10.283 4.126 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.417 11.997 3.026 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.504 9.016 2.559 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.659 10.314 1.392 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.097 9.397 2.742 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.456 8.755 0.437 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.922 7.899 0.971 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.054 9.279 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.050 11.017 1.281 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.527 11.615 0.713 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.058 11.823 2.417 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.704 9.666 4.947 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.889 9.052 5.575 1.00 0.00 C ATOM 1254 C ASN C 83 -7.059 8.873 4.614 1.00 0.00 C ATOM 1255 O ASN C 83 -7.775 9.818 4.285 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.307 9.799 6.840 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.148 8.934 8.090 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -6.895 9.082 9.055 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.163 8.031 8.091 1.00 0.00 N ATOM 0 H ASN C 83 -3.827 9.265 5.279 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.586 8.046 5.866 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.705 10.702 6.944 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.346 10.117 6.748 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -5.014 7.440 8.909 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.560 7.933 7.274 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.246 7.616 4.220 1.00 0.00 N ATOM 1267 CA ILE C 84 -8.225 7.193 3.215 1.00 0.00 C ATOM 1268 C ILE C 84 -9.590 7.850 3.410 1.00 0.00 C ATOM 1269 O ILE C 84 -9.988 8.150 4.529 1.00 0.00 O ATOM 1270 CB ILE C 84 -8.387 5.650 3.264 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -8.529 5.065 1.875 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -9.592 5.234 4.095 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -7.327 5.302 0.984 1.00 0.00 C ATOM 0 H ILE C 84 -6.706 6.839 4.601 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.846 7.509 2.243 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.482 5.263 3.731 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -8.701 3.992 1.959 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -9.412 5.493 1.400 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -9.670 4.147 4.104 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.473 5.598 5.116 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -10.497 5.659 3.661 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -7.505 4.854 0.007 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -7.166 6.374 0.868 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -6.444 4.849 1.436 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.293 8.077 2.313 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.645 8.612 2.368 1.00 0.00 C ATOM 1287 C LYS C 85 -12.449 8.100 1.180 1.00 0.00 C ATOM 1288 O LYS C 85 -13.450 8.698 0.777 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.607 10.144 2.385 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.081 10.758 1.085 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.135 11.916 1.357 1.00 0.00 C ATOM 1292 CE LYS C 85 -8.859 11.431 2.029 1.00 0.00 C ATOM 1293 NZ LYS C 85 -7.848 12.510 2.168 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.949 7.899 1.370 1.00 0.00 H new ATOM 0 HA LYS C 85 -12.129 8.276 3.285 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.611 10.522 2.575 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -10.980 10.474 3.213 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.565 9.994 0.504 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.919 11.106 0.481 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.889 12.417 0.421 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -10.628 12.652 1.993 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.099 11.033 3.015 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.435 10.612 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -7.040 12.159 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -7.522 12.804 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -8.274 13.324 2.656 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.998 6.982 0.626 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.652 6.397 -0.524 1.00 0.00 C ATOM 1309 C GLY C 86 -13.105 4.974 -0.253 1.00 0.00 C ATOM 1310 O GLY C 86 -12.763 4.409 0.784 1.00 0.00 O ATOM 0 H GLY C 86 -11.183 6.467 0.958 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.513 7.006 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.969 6.405 -1.374 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.875 4.372 -1.167 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.399 3.014 -0.993 1.00 0.00 C ATOM 1316 C PRO C 87 -13.399 1.922 -1.381 1.00 0.00 C ATOM 1317 O PRO C 87 -13.168 0.984 -0.620 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.588 3.003 -1.948 1.00 0.00 C ATOM 1319 CG PRO C 87 -15.153 3.880 -3.069 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.323 4.971 -2.441 1.00 0.00 C ATOM 0 HA PRO C 87 -14.640 2.799 0.048 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.814 1.994 -2.294 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.489 3.385 -1.469 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.572 3.319 -3.801 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -16.012 4.296 -3.595 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.479 5.248 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.908 5.876 -2.276 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.808 2.049 -2.564 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.915 1.030 -3.082 1.00 0.00 C ATOM 1330 C TYR C 88 -10.639 1.667 -3.617 1.00 0.00 C ATOM 1331 O TYR C 88 -10.625 2.271 -4.693 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.628 0.216 -4.169 1.00 0.00 C ATOM 1333 CG TYR C 88 -11.803 -0.910 -4.762 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -11.657 -2.119 -4.094 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -11.184 -0.768 -5.999 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -10.919 -3.152 -4.638 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -10.442 -1.797 -6.548 1.00 0.00 C ATOM 1338 CZ TYR C 88 -10.313 -2.987 -5.864 1.00 0.00 C ATOM 1339 OH TYR C 88 -9.577 -4.020 -6.409 1.00 0.00 O ATOM 0 H TYR C 88 -12.935 2.852 -3.181 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.636 0.353 -2.275 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -13.542 -0.204 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.927 0.890 -4.971 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -12.129 -2.254 -3.132 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -11.285 0.161 -6.540 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -10.817 -4.085 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -9.965 -1.669 -7.509 1.00 0.00 H new ATOM 0 HH TYR C 88 -8.704 -3.682 -6.699 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.576 1.553 -2.838 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.291 2.132 -3.189 1.00 0.00 C ATOM 1351 C ILE C 89 -7.243 1.034 -3.224 1.00 0.00 C ATOM 1352 O ILE C 89 -7.132 0.243 -2.289 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.852 3.223 -2.181 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.941 4.287 -2.017 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.551 3.874 -2.627 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -10.027 3.904 -1.037 1.00 0.00 C ATOM 0 H ILE C 89 -9.580 1.057 -1.946 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.391 2.602 -4.167 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.691 2.741 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.479 5.218 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.394 4.482 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -6.260 4.637 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.769 3.118 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.691 4.334 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -10.761 4.707 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -10.516 2.991 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -9.587 3.738 -0.054 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.486 0.968 -4.301 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.510 -0.090 -4.462 1.00 0.00 C ATOM 1370 C GLU C 90 -4.099 0.419 -4.273 1.00 0.00 C ATOM 1371 O GLU C 90 -3.639 1.290 -5.006 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.624 -0.713 -5.840 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.018 -1.230 -6.146 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.085 -2.011 -7.437 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.080 -3.255 -7.380 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.150 -1.387 -8.513 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.528 1.632 -5.074 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.720 -0.837 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.344 0.026 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -4.912 -1.535 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.353 -1.865 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.708 -0.388 -6.200 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.421 -0.127 -3.291 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.004 0.110 -3.133 1.00 0.00 C ATOM 1385 C ILE C 91 -1.256 -1.059 -3.772 1.00 0.00 C ATOM 1386 O ILE C 91 -1.131 -2.126 -3.176 1.00 0.00 O ATOM 1387 CB ILE C 91 -1.632 0.261 -1.636 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -2.439 1.393 -0.997 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -0.144 0.509 -1.447 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.041 1.691 0.435 1.00 0.00 C ATOM 0 H ILE C 91 -3.829 -0.741 -2.586 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.723 1.042 -3.624 1.00 0.00 H new ATOM 0 HB ILE C 91 -1.878 -0.679 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -2.317 2.297 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.497 1.133 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE C 91 0.076 0.609 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE C 91 0.420 -0.329 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE C 91 0.141 1.425 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.655 2.504 0.822 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.190 0.801 1.047 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -0.991 1.982 0.468 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.785 -0.859 -5.004 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.161 -1.922 -5.784 1.00 0.00 C ATOM 1404 C LYS C 92 0.683 -1.307 -6.898 1.00 0.00 C ATOM 1405 O LYS C 92 0.335 -0.264 -7.444 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.246 -2.828 -6.372 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.245 -2.074 -7.240 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.954 -2.247 -8.722 1.00 0.00 C ATOM 1409 CE LYS C 92 -2.234 -3.667 -9.196 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.672 -4.026 -9.066 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.826 0.040 -5.484 1.00 0.00 H new ATOM 0 HA LYS C 92 0.486 -2.520 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.775 -3.611 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.779 -3.322 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.253 -2.428 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.219 -1.014 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.562 -1.547 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.911 -1.998 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.928 -3.768 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -1.632 -4.367 -8.617 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -3.871 -4.873 -9.635 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -3.893 -4.220 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.259 -3.236 -9.403 1.00 0.00 H new ATOM 1424 N GLN C 93 1.786 -1.950 -7.235 1.00 0.00 N ATOM 1425 CA GLN C 93 2.730 -1.373 -8.181 1.00 0.00 C ATOM 1426 C GLN C 93 2.326 -1.624 -9.627 1.00 0.00 C ATOM 1427 O GLN C 93 1.453 -2.446 -9.913 1.00 0.00 O ATOM 1428 CB GLN C 93 4.135 -1.904 -7.919 1.00 0.00 C ATOM 1429 CG GLN C 93 4.272 -3.409 -8.047 1.00 0.00 C ATOM 1430 CD GLN C 93 5.587 -3.902 -7.484 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.684 -5.030 -7.004 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.607 -3.056 -7.528 1.00 0.00 N ATOM 0 H GLN C 93 2.051 -2.866 -6.872 1.00 0.00 H new ATOM 0 HA GLN C 93 2.721 -0.294 -8.029 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.825 -1.428 -8.616 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.440 -1.608 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.448 -3.895 -7.525 1.00 0.00 H new ATOM 0 HG3 GLN C 93 4.196 -3.693 -9.097 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.484 -2.129 -7.935 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.515 -3.332 -7.155 1.00 0.00 H new ATOM 1441 N ILE C 94 2.979 -0.909 -10.529 1.00 0.00 N ATOM 1442 CA ILE C 94 2.679 -0.984 -11.947 1.00 0.00 C ATOM 1443 C ILE C 94 3.748 -1.779 -12.684 1.00 0.00 C ATOM 1444 O ILE C 94 3.947 -2.961 -12.340 1.00 0.00 O ATOM 1445 CB ILE C 94 2.545 0.422 -12.585 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.311 1.486 -11.779 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.085 0.808 -12.703 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.487 2.155 -10.700 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.375 -1.236 -13.615 1.00 0.00 O ATOM 0 H ILE C 94 3.732 -0.261 -10.297 1.00 0.00 H new ATOM 0 HA ILE C 94 1.720 -1.493 -12.042 1.00 0.00 H new ATOM 0 HB ILE C 94 2.986 0.377 -13.581 1.00 0.00 H new ATOM 0 HG12 ILE C 94 4.183 1.020 -11.319 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.681 2.249 -12.464 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.006 1.798 -13.153 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.566 0.082 -13.329 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.631 0.822 -11.712 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.099 2.891 -10.179 1.00 0.00 H new ATOM 0 HD12 ILE C 94 1.629 2.652 -11.153 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.139 1.405 -9.990 1.00 0.00 H new