USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 LYS NZ :NH3+ -162:sc= 0.496! (180deg=0) USER MOD Set 1.2: A 63 GLN : amide:sc= 1.11 K(o=1.6,f=-20!) USER MOD Set 2.1: A 57 GLN :FLIP amide:sc= -0.796 F(o=0.55,f=1.3) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= 1.18 USER MOD Set 2.3: A 61 THR OG1 : rot -97:sc= 0.883! USER MOD Set 3.1: A 40 LYS NZ :NH3+ -158:sc= -0.118! (180deg=-1.83!) USER MOD Set 3.2: A 42 SER OG : rot -138:sc= 2.01 USER MOD Set 4.1: A 28 GLN : amide:sc= 0.462 K(o=1.4,f=-18!) USER MOD Set 4.2: A 32 LYS NZ :NH3+ -179:sc= 0.98 (180deg=0.324) USER MOD Set 5.1: A 25 THR OG1 : rot -99:sc= 0.638 USER MOD Set 5.2: A 69 MET CE :methyl 156:sc= -2.85! (180deg=-2.95) USER MOD Set 6.1: A 18 THR OG1 : rot -86:sc= 1.54 USER MOD Set 6.2: A 19 CYS SG : rot -61:sc= 1.98 USER MOD Set 6.3: A 21 SER OG : rot -119:sc= 1.79 USER MOD Set 6.4: A 22 CYS SG : rot 25:sc= 0.161 USER MOD Set 7.1: A 13 SER OG : rot 95:sc= 0.749 USER MOD Set 7.2: A 47 ASN : amide:sc= -2.58! C(o=-1.8!,f=-1.6!) USER MOD Set 8.1: A 11 THR OG1 : rot 180:sc= 0.945 USER MOD Set 8.2: A 49 THR OG1 : rot 74:sc= 1.02 USER MOD Set 9.1: A 8 ASN :FLIP amide:sc= -0.0143 F(o=-2.1,f=-1.1) USER MOD Set 9.2: A 52 TYR OH : rot 180:sc= -1.04! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -124:sc= -1.04 (180deg=-5.52!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.292 K(o=0.29,f=-4.8!) USER MOD Single : A 34 ASN : amide:sc= 1.01 K(o=1,f=-2.7!) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -1.65 F(o=-4,f=-1.6) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -2.79 F(o=-7.2!,f=-2.8) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= 0.293 (180deg=-5.44!) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0.812 (180deg=0.515) USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 2.543 -15.307 -0.043 1.00 0.00 N ATOM 82 CA VAL A 7 2.171 -13.861 0.154 1.00 0.00 C ATOM 83 C VAL A 7 1.232 -13.372 -0.958 1.00 0.00 C ATOM 84 O VAL A 7 1.074 -14.012 -1.979 1.00 0.00 O ATOM 85 CB VAL A 7 3.490 -13.072 0.122 1.00 0.00 C ATOM 86 CG1 VAL A 7 4.346 -13.447 1.330 1.00 0.00 C ATOM 87 CG2 VAL A 7 4.266 -13.379 -1.165 1.00 0.00 C ATOM 0 HA VAL A 7 1.640 -13.723 1.096 1.00 0.00 H new ATOM 0 HB VAL A 7 3.259 -12.007 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.280 -12.885 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.806 -13.209 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.564 -14.515 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.197 -12.813 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.489 -14.445 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.664 -13.098 -2.029 1.00 0.00 H new ATOM 97 N ASN A 8 0.606 -12.235 -0.764 1.00 0.00 N ATOM 98 CA ASN A 8 -0.323 -11.696 -1.811 1.00 0.00 C ATOM 99 C ASN A 8 0.198 -10.352 -2.345 1.00 0.00 C ATOM 100 O ASN A 8 1.092 -9.757 -1.777 1.00 0.00 O ATOM 101 CB ASN A 8 -1.666 -11.507 -1.093 1.00 0.00 C ATOM 102 CG ASN A 8 -2.523 -12.777 -1.183 1.00 0.00 C ATOM 103 OD1 ASN A 8 -1.978 -13.924 -1.481 1.00 0.00 O flip ATOM 104 ND2 ASN A 8 -3.716 -12.725 -0.973 1.00 0.00 N flip ATOM 0 H ASN A 8 0.697 -11.657 0.072 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.410 -12.364 -2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.491 -11.256 -0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.204 -10.669 -1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.154 -11.834 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.281 -13.572 -1.030 1.00 0.00 H new ATOM 111 N SER A 9 -0.356 -9.867 -3.429 1.00 0.00 N ATOM 112 CA SER A 9 0.113 -8.556 -3.993 1.00 0.00 C ATOM 113 C SER A 9 -1.008 -7.516 -3.953 1.00 0.00 C ATOM 114 O SER A 9 -2.143 -7.800 -4.271 1.00 0.00 O ATOM 115 CB SER A 9 0.507 -8.850 -5.442 1.00 0.00 C ATOM 116 OG SER A 9 1.877 -9.229 -5.499 1.00 0.00 O ATOM 0 H SER A 9 -1.110 -10.317 -3.948 1.00 0.00 H new ATOM 0 HA SER A 9 0.944 -8.150 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.118 -9.647 -5.844 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.337 -7.969 -6.061 1.00 0.00 H new ATOM 0 HG SER A 9 2.126 -9.418 -6.428 1.00 0.00 H new ATOM 122 N VAL A 10 -0.693 -6.311 -3.555 1.00 0.00 N ATOM 123 CA VAL A 10 -1.743 -5.256 -3.481 1.00 0.00 C ATOM 124 C VAL A 10 -1.334 -4.002 -4.262 1.00 0.00 C ATOM 125 O VAL A 10 -0.342 -3.356 -3.964 1.00 0.00 O ATOM 126 CB VAL A 10 -1.902 -4.953 -1.978 1.00 0.00 C ATOM 127 CG1 VAL A 10 -2.101 -3.450 -1.744 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.127 -5.693 -1.451 1.00 0.00 C ATOM 0 H VAL A 10 0.243 -6.014 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.680 -5.587 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.000 -5.277 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.211 -3.259 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.236 -2.905 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.997 -3.116 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.248 -5.485 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.014 -5.359 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.996 -6.765 -1.598 1.00 0.00 H new ATOM 138 N THR A 11 -2.128 -3.639 -5.233 1.00 0.00 N ATOM 139 CA THR A 11 -1.859 -2.409 -6.023 1.00 0.00 C ATOM 140 C THR A 11 -2.955 -1.393 -5.693 1.00 0.00 C ATOM 141 O THR A 11 -4.092 -1.529 -6.112 1.00 0.00 O ATOM 142 CB THR A 11 -1.911 -2.842 -7.491 1.00 0.00 C ATOM 143 OG1 THR A 11 -0.800 -3.684 -7.777 1.00 0.00 O ATOM 144 CG2 THR A 11 -1.847 -1.611 -8.389 1.00 0.00 C ATOM 0 H THR A 11 -2.963 -4.152 -5.514 1.00 0.00 H new ATOM 0 HA THR A 11 -0.896 -1.947 -5.804 1.00 0.00 H new ATOM 0 HB THR A 11 -2.840 -3.382 -7.674 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.833 -3.962 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.884 -1.920 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.693 -0.959 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.918 -1.073 -8.203 1.00 0.00 H new ATOM 152 N ILE A 12 -2.636 -0.398 -4.909 1.00 0.00 N ATOM 153 CA ILE A 12 -3.673 0.602 -4.518 1.00 0.00 C ATOM 154 C ILE A 12 -3.368 1.980 -5.105 1.00 0.00 C ATOM 155 O ILE A 12 -2.239 2.441 -5.095 1.00 0.00 O ATOM 156 CB ILE A 12 -3.622 0.653 -2.984 1.00 0.00 C ATOM 157 CG1 ILE A 12 -4.063 -0.697 -2.411 1.00 0.00 C ATOM 158 CG2 ILE A 12 -4.560 1.748 -2.469 1.00 0.00 C ATOM 159 CD1 ILE A 12 -3.963 -0.668 -0.882 1.00 0.00 C ATOM 0 H ILE A 12 -1.706 -0.234 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.657 0.321 -4.893 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.602 0.871 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.087 -0.914 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.437 -1.494 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.520 1.779 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.249 2.712 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.580 1.533 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.278 -1.630 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.932 -0.471 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.608 0.118 -0.490 1.00 0.00 H new ATOM 171 N SER A 13 -4.380 2.658 -5.579 1.00 0.00 N ATOM 172 CA SER A 13 -4.153 4.033 -6.126 1.00 0.00 C ATOM 173 C SER A 13 -3.936 4.975 -4.938 1.00 0.00 C ATOM 174 O SER A 13 -4.648 4.916 -3.949 1.00 0.00 O ATOM 175 CB SER A 13 -5.411 4.412 -6.920 1.00 0.00 C ATOM 176 OG SER A 13 -6.007 3.245 -7.483 1.00 0.00 O ATOM 0 H SER A 13 -5.344 2.326 -5.612 1.00 0.00 H new ATOM 0 HA SER A 13 -3.283 4.092 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.124 4.915 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.152 5.115 -7.712 1.00 0.00 H new ATOM 0 HG SER A 13 -6.711 2.916 -6.885 1.00 0.00 H new ATOM 182 N VAL A 14 -2.944 5.814 -5.007 1.00 0.00 N ATOM 183 CA VAL A 14 -2.658 6.724 -3.868 1.00 0.00 C ATOM 184 C VAL A 14 -2.749 8.186 -4.301 1.00 0.00 C ATOM 185 O VAL A 14 -2.028 8.630 -5.172 1.00 0.00 O ATOM 186 CB VAL A 14 -1.231 6.373 -3.432 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.890 7.125 -2.147 1.00 0.00 C ATOM 188 CG2 VAL A 14 -1.126 4.866 -3.177 1.00 0.00 C ATOM 0 H VAL A 14 -2.317 5.909 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.377 6.602 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.534 6.659 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.125 6.875 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.961 8.198 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.590 6.839 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.110 4.619 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.825 4.580 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.368 4.325 -4.092 1.00 0.00 H new ATOM 198 N GLU A 15 -3.621 8.936 -3.680 1.00 0.00 N ATOM 199 CA GLU A 15 -3.766 10.377 -4.027 1.00 0.00 C ATOM 200 C GLU A 15 -3.217 11.247 -2.885 1.00 0.00 C ATOM 201 O GLU A 15 -2.599 10.750 -1.957 1.00 0.00 O ATOM 202 CB GLU A 15 -5.273 10.603 -4.222 1.00 0.00 C ATOM 203 CG GLU A 15 -5.545 11.147 -5.634 1.00 0.00 C ATOM 204 CD GLU A 15 -4.687 12.388 -5.902 1.00 0.00 C ATOM 205 OE1 GLU A 15 -4.776 13.329 -5.127 1.00 0.00 O ATOM 206 OE2 GLU A 15 -3.948 12.372 -6.871 1.00 0.00 O ATOM 0 H GLU A 15 -4.243 8.607 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.209 10.646 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.812 9.667 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.643 11.305 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.326 10.378 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.601 11.398 -5.737 1.00 0.00 H new ATOM 213 N GLY A 16 -3.418 12.540 -2.949 1.00 0.00 N ATOM 214 CA GLY A 16 -2.886 13.440 -1.878 1.00 0.00 C ATOM 215 C GLY A 16 -1.387 13.682 -2.107 1.00 0.00 C ATOM 216 O GLY A 16 -0.661 14.022 -1.192 1.00 0.00 O ATOM 0 H GLY A 16 -3.927 13.012 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.423 14.388 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.047 12.991 -0.898 1.00 0.00 H new ATOM 220 N MET A 17 -0.916 13.498 -3.317 1.00 0.00 N ATOM 221 CA MET A 17 0.538 13.706 -3.604 1.00 0.00 C ATOM 222 C MET A 17 0.935 15.182 -3.445 1.00 0.00 C ATOM 223 O MET A 17 0.124 16.079 -3.572 1.00 0.00 O ATOM 224 CB MET A 17 0.727 13.240 -5.050 1.00 0.00 C ATOM 225 CG MET A 17 1.692 12.052 -5.075 1.00 0.00 C ATOM 226 SD MET A 17 0.753 10.506 -5.014 1.00 0.00 S ATOM 227 CE MET A 17 1.115 10.075 -3.294 1.00 0.00 C ATOM 0 H MET A 17 -1.477 13.212 -4.119 1.00 0.00 H new ATOM 0 HA MET A 17 1.169 13.152 -2.909 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.232 12.953 -5.480 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.119 14.055 -5.659 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.301 12.084 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.376 12.108 -4.228 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.563 9.082 -3.254 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.809 10.803 -2.875 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.191 10.080 -2.715 1.00 0.00 H new ATOM 237 N THR A 18 2.190 15.431 -3.155 1.00 0.00 N ATOM 238 CA THR A 18 2.663 16.850 -2.965 1.00 0.00 C ATOM 239 C THR A 18 4.113 17.029 -3.436 1.00 0.00 C ATOM 240 O THR A 18 4.455 18.027 -4.038 1.00 0.00 O ATOM 241 CB THR A 18 2.578 17.145 -1.447 1.00 0.00 C ATOM 242 OG1 THR A 18 3.776 16.721 -0.776 1.00 0.00 O ATOM 243 CG2 THR A 18 1.376 16.429 -0.822 1.00 0.00 C ATOM 0 H THR A 18 2.910 14.718 -3.041 1.00 0.00 H new ATOM 0 HA THR A 18 2.045 17.530 -3.552 1.00 0.00 H new ATOM 0 HB THR A 18 2.460 18.222 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.700 15.773 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.335 16.650 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.459 16.774 -1.299 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.478 15.353 -0.966 1.00 0.00 H new ATOM 251 N CYS A 19 4.966 16.078 -3.146 1.00 0.00 N ATOM 252 CA CYS A 19 6.408 16.187 -3.542 1.00 0.00 C ATOM 253 C CYS A 19 7.169 14.943 -3.085 1.00 0.00 C ATOM 254 O CYS A 19 6.648 14.163 -2.306 1.00 0.00 O ATOM 255 CB CYS A 19 6.934 17.413 -2.788 1.00 0.00 C ATOM 256 SG CYS A 19 6.811 17.114 -1.000 1.00 0.00 S ATOM 0 H CYS A 19 4.724 15.222 -2.647 1.00 0.00 H new ATOM 0 HA CYS A 19 6.531 16.276 -4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.970 17.609 -3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.358 18.297 -3.061 1.00 0.00 H new ATOM 0 HG CYS A 19 5.567 16.918 -0.677 1.00 0.00 H new ATOM 261 N ASN A 20 8.396 14.784 -3.545 1.00 0.00 N ATOM 262 CA ASN A 20 9.260 13.606 -3.156 1.00 0.00 C ATOM 263 C ASN A 20 8.964 13.118 -1.727 1.00 0.00 C ATOM 264 O ASN A 20 8.973 11.932 -1.452 1.00 0.00 O ATOM 265 CB ASN A 20 10.696 14.141 -3.261 1.00 0.00 C ATOM 266 CG ASN A 20 11.667 13.176 -2.575 1.00 0.00 C ATOM 267 OD1 ASN A 20 12.140 13.443 -1.493 1.00 0.00 O ATOM 268 ND2 ASN A 20 11.980 12.056 -3.160 1.00 0.00 N ATOM 0 H ASN A 20 8.846 15.435 -4.188 1.00 0.00 H new ATOM 0 HA ASN A 20 9.078 12.744 -3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.971 14.263 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.761 15.125 -2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.622 11.406 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.583 11.828 -4.072 1.00 0.00 H new ATOM 275 N SER A 21 8.685 14.022 -0.823 1.00 0.00 N ATOM 276 CA SER A 21 8.366 13.619 0.584 1.00 0.00 C ATOM 277 C SER A 21 7.184 12.617 0.630 1.00 0.00 C ATOM 278 O SER A 21 6.952 11.941 1.602 1.00 0.00 O ATOM 279 CB SER A 21 7.960 14.925 1.280 1.00 0.00 C ATOM 280 OG SER A 21 6.549 15.138 1.119 1.00 0.00 O ATOM 0 H SER A 21 8.664 15.027 -0.998 1.00 0.00 H new ATOM 0 HA SER A 21 9.214 13.126 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.212 14.878 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.515 15.762 0.857 1.00 0.00 H new ATOM 0 HG SER A 21 6.398 15.974 0.631 1.00 0.00 H new ATOM 286 N CYS A 22 6.428 12.520 -0.407 1.00 0.00 N ATOM 287 CA CYS A 22 5.269 11.590 -0.385 1.00 0.00 C ATOM 288 C CYS A 22 5.656 10.222 -0.961 1.00 0.00 C ATOM 289 O CYS A 22 5.129 9.199 -0.566 1.00 0.00 O ATOM 290 CB CYS A 22 4.209 12.314 -1.215 1.00 0.00 C ATOM 291 SG CYS A 22 3.907 13.953 -0.484 1.00 0.00 S ATOM 0 H CYS A 22 6.555 13.041 -1.275 1.00 0.00 H new ATOM 0 HA CYS A 22 4.905 11.367 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.544 12.417 -2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.286 11.735 -1.236 1.00 0.00 H new ATOM 0 HG CYS A 22 4.957 14.331 0.183 1.00 0.00 H new ATOM 296 N VAL A 23 6.605 10.195 -1.859 1.00 0.00 N ATOM 297 CA VAL A 23 7.051 8.897 -2.445 1.00 0.00 C ATOM 298 C VAL A 23 8.099 8.278 -1.543 1.00 0.00 C ATOM 299 O VAL A 23 8.168 7.075 -1.410 1.00 0.00 O ATOM 300 CB VAL A 23 7.631 9.216 -3.833 1.00 0.00 C ATOM 301 CG1 VAL A 23 8.920 10.032 -3.708 1.00 0.00 C ATOM 302 CG2 VAL A 23 7.934 7.907 -4.569 1.00 0.00 C ATOM 0 H VAL A 23 7.092 11.018 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 23 6.231 8.185 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 23 6.899 9.800 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.313 10.246 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.709 10.968 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.657 9.463 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.345 8.130 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.657 7.327 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.015 7.332 -4.682 1.00 0.00 H new ATOM 312 N TRP A 24 8.896 9.080 -0.889 1.00 0.00 N ATOM 313 CA TRP A 24 9.901 8.467 0.022 1.00 0.00 C ATOM 314 C TRP A 24 9.231 8.167 1.372 1.00 0.00 C ATOM 315 O TRP A 24 9.653 7.288 2.092 1.00 0.00 O ATOM 316 CB TRP A 24 11.096 9.448 0.095 1.00 0.00 C ATOM 317 CG TRP A 24 11.420 9.824 1.507 1.00 0.00 C ATOM 318 CD1 TRP A 24 12.496 9.409 2.217 1.00 0.00 C ATOM 319 CD2 TRP A 24 10.680 10.706 2.370 1.00 0.00 C ATOM 320 NE1 TRP A 24 12.445 9.994 3.476 1.00 0.00 N ATOM 321 CE2 TRP A 24 11.336 10.805 3.612 1.00 0.00 C ATOM 322 CE3 TRP A 24 9.508 11.416 2.179 1.00 0.00 C ATOM 323 CZ2 TRP A 24 10.826 11.604 4.640 1.00 0.00 C ATOM 324 CZ3 TRP A 24 8.982 12.218 3.191 1.00 0.00 C ATOM 325 CH2 TRP A 24 9.637 12.318 4.428 1.00 0.00 C ATOM 0 H TRP A 24 8.897 10.099 -0.942 1.00 0.00 H new ATOM 0 HA TRP A 24 10.283 7.509 -0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.970 8.992 -0.369 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.864 10.347 -0.477 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.264 8.737 1.864 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.139 9.843 4.208 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.993 11.348 1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.342 11.671 5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.066 12.765 3.022 1.00 0.00 H new ATOM 0 HH2 TRP A 24 9.229 12.940 5.211 1.00 0.00 H new ATOM 336 N THR A 25 8.154 8.851 1.702 1.00 0.00 N ATOM 337 CA THR A 25 7.464 8.532 3.003 1.00 0.00 C ATOM 338 C THR A 25 6.527 7.316 2.850 1.00 0.00 C ATOM 339 O THR A 25 6.274 6.609 3.800 1.00 0.00 O ATOM 340 CB THR A 25 6.674 9.788 3.394 1.00 0.00 C ATOM 341 OG1 THR A 25 6.538 9.828 4.806 1.00 0.00 O ATOM 342 CG2 THR A 25 5.282 9.780 2.749 1.00 0.00 C ATOM 0 H THR A 25 7.732 9.595 1.146 1.00 0.00 H new ATOM 0 HA THR A 25 8.188 8.268 3.774 1.00 0.00 H new ATOM 0 HB THR A 25 7.213 10.667 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.650 9.499 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.741 10.680 3.041 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.384 9.753 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.731 8.901 3.083 1.00 0.00 H new ATOM 350 N ILE A 26 6.022 7.058 1.667 1.00 0.00 N ATOM 351 CA ILE A 26 5.107 5.880 1.475 1.00 0.00 C ATOM 352 C ILE A 26 5.895 4.677 0.950 1.00 0.00 C ATOM 353 O ILE A 26 5.566 3.537 1.226 1.00 0.00 O ATOM 354 CB ILE A 26 4.065 6.330 0.442 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.986 7.168 1.126 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.401 5.103 -0.193 1.00 0.00 C ATOM 357 CD1 ILE A 26 2.053 7.748 0.064 1.00 0.00 C ATOM 0 H ILE A 26 6.201 7.608 0.827 1.00 0.00 H new ATOM 0 HA ILE A 26 4.639 5.574 2.411 1.00 0.00 H new ATOM 0 HB ILE A 26 4.565 6.922 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.421 6.554 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.444 7.971 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.662 5.428 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.158 4.494 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.910 4.514 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.281 8.347 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.625 8.375 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.587 6.936 -0.493 1.00 0.00 H new ATOM 369 N GLU A 27 6.952 4.930 0.230 1.00 0.00 N ATOM 370 CA GLU A 27 7.795 3.819 -0.289 1.00 0.00 C ATOM 371 C GLU A 27 8.594 3.274 0.881 1.00 0.00 C ATOM 372 O GLU A 27 8.811 2.081 1.008 1.00 0.00 O ATOM 373 CB GLU A 27 8.710 4.453 -1.339 1.00 0.00 C ATOM 374 CG GLU A 27 9.501 3.368 -2.075 1.00 0.00 C ATOM 375 CD GLU A 27 9.068 3.328 -3.542 1.00 0.00 C ATOM 376 OE1 GLU A 27 9.458 4.216 -4.277 1.00 0.00 O ATOM 377 OE2 GLU A 27 8.343 2.416 -3.906 1.00 0.00 O ATOM 0 H GLU A 27 7.270 5.866 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 27 7.226 3.001 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.116 5.026 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.396 5.152 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.570 3.572 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.330 2.398 -1.608 1.00 0.00 H new ATOM 384 N GLN A 28 8.989 4.148 1.775 1.00 0.00 N ATOM 385 CA GLN A 28 9.729 3.680 2.977 1.00 0.00 C ATOM 386 C GLN A 28 8.717 3.151 3.999 1.00 0.00 C ATOM 387 O GLN A 28 8.997 2.219 4.745 1.00 0.00 O ATOM 388 CB GLN A 28 10.471 4.910 3.514 1.00 0.00 C ATOM 389 CG GLN A 28 11.883 4.509 3.963 1.00 0.00 C ATOM 390 CD GLN A 28 12.073 4.841 5.444 1.00 0.00 C ATOM 391 OE1 GLN A 28 11.631 4.108 6.307 1.00 0.00 O ATOM 392 NE2 GLN A 28 12.716 5.921 5.782 1.00 0.00 N ATOM 0 H GLN A 28 8.831 5.154 1.721 1.00 0.00 H new ATOM 0 HA GLN A 28 10.432 2.876 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.529 5.677 2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.922 5.341 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.037 3.443 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.627 5.035 3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.089 6.539 5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.847 6.149 6.767 1.00 0.00 H new ATOM 401 N GLN A 29 7.525 3.716 4.034 1.00 0.00 N ATOM 402 CA GLN A 29 6.505 3.213 5.008 1.00 0.00 C ATOM 403 C GLN A 29 5.966 1.853 4.553 1.00 0.00 C ATOM 404 O GLN A 29 6.112 0.869 5.249 1.00 0.00 O ATOM 405 CB GLN A 29 5.394 4.263 5.044 1.00 0.00 C ATOM 406 CG GLN A 29 4.420 3.938 6.184 1.00 0.00 C ATOM 407 CD GLN A 29 3.022 3.704 5.615 1.00 0.00 C ATOM 408 OE1 GLN A 29 2.854 2.969 4.662 1.00 0.00 O ATOM 409 NE2 GLN A 29 2.001 4.291 6.166 1.00 0.00 N ATOM 0 H GLN A 29 7.223 4.489 3.440 1.00 0.00 H new ATOM 0 HA GLN A 29 6.932 3.068 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.821 5.255 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.864 4.280 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.757 3.052 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.399 4.758 6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.138 4.909 6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.063 4.134 5.798 1.00 0.00 H new ATOM 418 N ILE A 30 5.361 1.774 3.391 1.00 0.00 N ATOM 419 CA ILE A 30 4.837 0.447 2.925 1.00 0.00 C ATOM 420 C ILE A 30 5.986 -0.566 2.831 1.00 0.00 C ATOM 421 O ILE A 30 5.829 -1.722 3.178 1.00 0.00 O ATOM 422 CB ILE A 30 4.227 0.691 1.540 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.980 1.571 1.669 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.824 -0.654 0.926 1.00 0.00 C ATOM 425 CD1 ILE A 30 2.469 1.938 0.275 1.00 0.00 C ATOM 0 H ILE A 30 5.208 2.556 2.754 1.00 0.00 H new ATOM 0 HA ILE A 30 4.098 0.042 3.616 1.00 0.00 H new ATOM 0 HB ILE A 30 4.960 1.190 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.205 1.043 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.216 2.475 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.389 -0.488 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.705 -1.289 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.091 -1.142 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.582 2.564 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.244 2.483 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.217 1.029 -0.271 1.00 0.00 H new ATOM 437 N GLY A 31 7.139 -0.129 2.370 1.00 0.00 N ATOM 438 CA GLY A 31 8.319 -1.042 2.246 1.00 0.00 C ATOM 439 C GLY A 31 8.518 -1.826 3.541 1.00 0.00 C ATOM 440 O GLY A 31 8.711 -3.026 3.522 1.00 0.00 O ATOM 0 H GLY A 31 7.311 0.831 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.169 -1.731 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.215 -0.462 2.022 1.00 0.00 H new ATOM 444 N LYS A 32 8.465 -1.159 4.664 1.00 0.00 N ATOM 445 CA LYS A 32 8.643 -1.881 5.965 1.00 0.00 C ATOM 446 C LYS A 32 7.527 -1.505 6.959 1.00 0.00 C ATOM 447 O LYS A 32 7.772 -1.310 8.135 1.00 0.00 O ATOM 448 CB LYS A 32 10.036 -1.477 6.497 1.00 0.00 C ATOM 449 CG LYS A 32 10.415 -0.060 6.044 1.00 0.00 C ATOM 450 CD LYS A 32 11.101 0.684 7.193 1.00 0.00 C ATOM 451 CE LYS A 32 10.073 1.548 7.931 1.00 0.00 C ATOM 452 NZ LYS A 32 9.808 2.705 7.023 1.00 0.00 N ATOM 0 H LYS A 32 8.308 -0.154 4.740 1.00 0.00 H new ATOM 0 HA LYS A 32 8.579 -2.961 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.041 -1.527 7.586 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.783 -2.187 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.080 -0.109 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.523 0.482 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.554 -0.029 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.906 1.309 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.160 0.988 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.459 1.883 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.125 3.349 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.696 3.214 6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.418 2.358 6.123 1.00 0.00 H new ATOM 466 N VAL A 33 6.301 -1.397 6.492 1.00 0.00 N ATOM 467 CA VAL A 33 5.166 -1.031 7.410 1.00 0.00 C ATOM 468 C VAL A 33 4.802 -2.203 8.337 1.00 0.00 C ATOM 469 O VAL A 33 4.529 -2.011 9.508 1.00 0.00 O ATOM 470 CB VAL A 33 3.979 -0.654 6.497 1.00 0.00 C ATOM 471 CG1 VAL A 33 3.524 -1.856 5.661 1.00 0.00 C ATOM 472 CG2 VAL A 33 2.811 -0.182 7.362 1.00 0.00 C ATOM 0 H VAL A 33 6.037 -1.546 5.518 1.00 0.00 H new ATOM 0 HA VAL A 33 5.440 -0.202 8.062 1.00 0.00 H new ATOM 0 HB VAL A 33 4.301 0.139 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.687 -1.563 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.349 -2.198 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.212 -2.663 6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.970 0.086 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.512 -0.983 8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.117 0.688 7.943 1.00 0.00 H new ATOM 482 N ASN A 34 4.796 -3.416 7.833 1.00 0.00 N ATOM 483 CA ASN A 34 4.450 -4.589 8.703 1.00 0.00 C ATOM 484 C ASN A 34 4.719 -5.914 7.976 1.00 0.00 C ATOM 485 O ASN A 34 5.388 -6.785 8.498 1.00 0.00 O ATOM 486 CB ASN A 34 2.955 -4.442 9.004 1.00 0.00 C ATOM 487 CG ASN A 34 2.734 -4.489 10.513 1.00 0.00 C ATOM 488 OD1 ASN A 34 2.315 -5.492 11.047 1.00 0.00 O ATOM 489 ND2 ASN A 34 3.012 -3.443 11.231 1.00 0.00 N ATOM 0 H ASN A 34 5.014 -3.644 6.863 1.00 0.00 H new ATOM 0 HA ASN A 34 5.054 -4.604 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.582 -3.501 8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.395 -5.241 8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.877 -3.468 12.242 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.365 -2.597 10.784 1.00 0.00 H new ATOM 496 N GLY A 35 4.204 -6.071 6.780 1.00 0.00 N ATOM 497 CA GLY A 35 4.427 -7.338 6.021 1.00 0.00 C ATOM 498 C GLY A 35 4.417 -7.036 4.524 1.00 0.00 C ATOM 499 O GLY A 35 3.423 -7.220 3.858 1.00 0.00 O ATOM 0 H GLY A 35 3.638 -5.373 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.379 -7.785 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.649 -8.062 6.263 1.00 0.00 H new ATOM 503 N VAL A 36 5.526 -6.591 3.995 1.00 0.00 N ATOM 504 CA VAL A 36 5.611 -6.287 2.548 1.00 0.00 C ATOM 505 C VAL A 36 6.959 -6.771 2.038 1.00 0.00 C ATOM 506 O VAL A 36 7.981 -6.143 2.229 1.00 0.00 O ATOM 507 CB VAL A 36 5.488 -4.765 2.410 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.813 -4.361 0.967 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.058 -4.335 2.739 1.00 0.00 C ATOM 0 H VAL A 36 6.386 -6.425 4.517 1.00 0.00 H new ATOM 0 HA VAL A 36 4.827 -6.778 1.971 1.00 0.00 H new ATOM 0 HB VAL A 36 6.182 -4.281 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.727 -3.279 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.830 -4.669 0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.114 -4.847 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.972 -3.253 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.365 -4.818 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.816 -4.627 3.761 1.00 0.00 H new ATOM 519 N HIS A 37 6.958 -7.895 1.407 1.00 0.00 N ATOM 520 CA HIS A 37 8.238 -8.466 0.879 1.00 0.00 C ATOM 521 C HIS A 37 8.748 -7.621 -0.305 1.00 0.00 C ATOM 522 O HIS A 37 9.935 -7.531 -0.545 1.00 0.00 O ATOM 523 CB HIS A 37 7.897 -9.904 0.459 1.00 0.00 C ATOM 524 CG HIS A 37 7.364 -10.663 1.652 1.00 0.00 C ATOM 525 ND1 HIS A 37 6.119 -10.698 2.234 1.00 0.00 N flip ATOM 526 CD2 HIS A 37 8.156 -11.512 2.408 1.00 0.00 C flip ATOM 527 CE1 HIS A 37 6.135 -11.549 3.332 1.00 0.00 C flip ATOM 528 NE2 HIS A 37 7.386 -12.015 3.393 1.00 0.00 N flip ATOM 0 H HIS A 37 6.127 -8.458 1.226 1.00 0.00 H new ATOM 0 HA HIS A 37 9.039 -8.459 1.619 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.156 -9.895 -0.341 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.784 -10.400 0.066 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.200 -11.731 2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.314 -11.783 3.993 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.718 -12.672 4.099 1.00 0.00 H new ATOM 536 N HIS A 38 7.855 -6.971 -1.015 1.00 0.00 N ATOM 537 CA HIS A 38 8.262 -6.089 -2.159 1.00 0.00 C ATOM 538 C HIS A 38 7.335 -4.863 -2.167 1.00 0.00 C ATOM 539 O HIS A 38 6.127 -5.004 -2.083 1.00 0.00 O ATOM 540 CB HIS A 38 8.068 -6.899 -3.454 1.00 0.00 C ATOM 541 CG HIS A 38 8.847 -8.187 -3.409 1.00 0.00 C ATOM 542 ND1 HIS A 38 8.704 -9.319 -2.652 1.00 0.00 N flip ATOM 543 CD2 HIS A 38 9.925 -8.428 -4.244 1.00 0.00 C flip ATOM 544 CE1 HIS A 38 9.672 -10.252 -3.004 1.00 0.00 C flip ATOM 545 NE2 HIS A 38 10.382 -9.664 -3.969 1.00 0.00 N flip ATOM 0 H HIS A 38 6.850 -7.014 -0.849 1.00 0.00 H new ATOM 0 HA HIS A 38 9.298 -5.762 -2.072 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.009 -7.115 -3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 38 8.390 -6.305 -4.310 1.00 0.00 H new ATOM 0 HD2 HIS A 38 10.326 -7.748 -4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.818 -11.238 -2.588 1.00 0.00 H new ATOM 0 HE2 HIS A 38 11.175 -10.099 -4.441 1.00 0.00 H new ATOM 553 N ILE A 39 7.872 -3.673 -2.247 1.00 0.00 N ATOM 554 CA ILE A 39 7.002 -2.461 -2.241 1.00 0.00 C ATOM 555 C ILE A 39 7.339 -1.558 -3.439 1.00 0.00 C ATOM 556 O ILE A 39 8.494 -1.365 -3.775 1.00 0.00 O ATOM 557 CB ILE A 39 7.319 -1.761 -0.910 1.00 0.00 C ATOM 558 CG1 ILE A 39 6.732 -0.344 -0.909 1.00 0.00 C ATOM 559 CG2 ILE A 39 8.839 -1.686 -0.703 1.00 0.00 C ATOM 560 CD1 ILE A 39 7.655 0.595 -1.681 1.00 0.00 C ATOM 0 H ILE A 39 8.873 -3.489 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 39 5.943 -2.703 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 39 6.874 -2.336 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.741 -0.350 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.611 0.009 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.053 -1.188 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.254 -2.694 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.290 -1.123 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.235 1.601 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.637 0.610 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.753 0.245 -2.709 1.00 0.00 H new ATOM 572 N LYS A 40 6.346 -0.999 -4.079 1.00 0.00 N ATOM 573 CA LYS A 40 6.615 -0.099 -5.239 1.00 0.00 C ATOM 574 C LYS A 40 5.537 0.994 -5.325 1.00 0.00 C ATOM 575 O LYS A 40 4.406 0.745 -5.715 1.00 0.00 O ATOM 576 CB LYS A 40 6.585 -1.015 -6.469 1.00 0.00 C ATOM 577 CG LYS A 40 7.134 -0.262 -7.689 1.00 0.00 C ATOM 578 CD LYS A 40 5.988 0.047 -8.661 1.00 0.00 C ATOM 579 CE LYS A 40 6.233 1.400 -9.348 1.00 0.00 C ATOM 580 NZ LYS A 40 5.608 2.413 -8.446 1.00 0.00 N ATOM 0 H LYS A 40 5.361 -1.127 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 40 7.570 0.420 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.180 -1.909 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.565 -1.346 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.615 0.663 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.895 -0.862 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.912 -0.742 -9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.040 0.069 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.299 1.590 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.783 1.425 -10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.398 3.276 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.726 2.029 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.264 2.640 -7.672 1.00 0.00 H new ATOM 594 N VAL A 41 5.888 2.203 -4.963 1.00 0.00 N ATOM 595 CA VAL A 41 4.914 3.332 -5.013 1.00 0.00 C ATOM 596 C VAL A 41 5.271 4.263 -6.182 1.00 0.00 C ATOM 597 O VAL A 41 6.308 4.103 -6.801 1.00 0.00 O ATOM 598 CB VAL A 41 5.039 4.032 -3.647 1.00 0.00 C ATOM 599 CG1 VAL A 41 6.160 5.075 -3.670 1.00 0.00 C ATOM 600 CG2 VAL A 41 3.718 4.724 -3.305 1.00 0.00 C ATOM 0 H VAL A 41 6.819 2.456 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 41 3.887 3.009 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 41 5.275 3.279 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.229 5.556 -2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.107 4.587 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.943 5.826 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.806 5.219 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.485 5.463 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.920 3.983 -3.261 1.00 0.00 H new ATOM 610 N SER A 42 4.422 5.207 -6.515 1.00 0.00 N ATOM 611 CA SER A 42 4.721 6.101 -7.671 1.00 0.00 C ATOM 612 C SER A 42 4.049 7.468 -7.497 1.00 0.00 C ATOM 613 O SER A 42 2.957 7.692 -7.982 1.00 0.00 O ATOM 614 CB SER A 42 4.135 5.382 -8.890 1.00 0.00 C ATOM 615 OG SER A 42 5.102 4.499 -9.454 1.00 0.00 O ATOM 0 H SER A 42 3.540 5.394 -6.037 1.00 0.00 H new ATOM 0 HA SER A 42 5.791 6.286 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.247 4.822 -8.598 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.820 6.112 -9.635 1.00 0.00 H new ATOM 0 HG SER A 42 5.072 4.563 -10.431 1.00 0.00 H new ATOM 621 N LEU A 43 4.696 8.373 -6.811 1.00 0.00 N ATOM 622 CA LEU A 43 4.114 9.748 -6.594 1.00 0.00 C ATOM 623 C LEU A 43 3.546 10.339 -7.904 1.00 0.00 C ATOM 624 O LEU A 43 2.560 11.061 -7.891 1.00 0.00 O ATOM 625 CB LEU A 43 5.282 10.612 -6.085 1.00 0.00 C ATOM 626 CG LEU A 43 4.882 11.338 -4.791 1.00 0.00 C ATOM 627 CD1 LEU A 43 4.448 10.321 -3.733 1.00 0.00 C ATOM 628 CD2 LEU A 43 6.077 12.135 -4.249 1.00 0.00 C ATOM 0 H LEU A 43 5.611 8.225 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 43 3.284 9.713 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.155 9.985 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.564 11.339 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 43 4.056 12.014 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.166 10.844 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.595 9.752 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.273 9.641 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.787 12.647 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.903 11.455 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.391 12.869 -4.991 1.00 0.00 H new ATOM 640 N GLU A 44 4.146 10.052 -9.036 1.00 0.00 N ATOM 641 CA GLU A 44 3.604 10.618 -10.311 1.00 0.00 C ATOM 642 C GLU A 44 2.449 9.773 -10.834 1.00 0.00 C ATOM 643 O GLU A 44 1.431 10.305 -11.244 1.00 0.00 O ATOM 644 CB GLU A 44 4.767 10.666 -11.306 1.00 0.00 C ATOM 645 CG GLU A 44 5.600 11.937 -11.067 1.00 0.00 C ATOM 646 CD GLU A 44 4.698 13.177 -11.122 1.00 0.00 C ATOM 647 OE1 GLU A 44 4.479 13.679 -12.213 1.00 0.00 O ATOM 648 OE2 GLU A 44 4.243 13.603 -10.070 1.00 0.00 O ATOM 0 H GLU A 44 4.972 9.461 -9.131 1.00 0.00 H new ATOM 0 HA GLU A 44 3.200 11.618 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.394 9.782 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.386 10.656 -12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.094 11.880 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.384 12.014 -11.820 1.00 0.00 H new ATOM 655 N GLU A 45 2.563 8.483 -10.778 1.00 0.00 N ATOM 656 CA GLU A 45 1.430 7.616 -11.234 1.00 0.00 C ATOM 657 C GLU A 45 0.366 7.522 -10.123 1.00 0.00 C ATOM 658 O GLU A 45 -0.597 6.786 -10.243 1.00 0.00 O ATOM 659 CB GLU A 45 2.043 6.241 -11.515 1.00 0.00 C ATOM 660 CG GLU A 45 3.044 6.342 -12.672 1.00 0.00 C ATOM 661 CD GLU A 45 4.056 5.199 -12.577 1.00 0.00 C ATOM 662 OE1 GLU A 45 5.001 5.334 -11.816 1.00 0.00 O ATOM 663 OE2 GLU A 45 3.867 4.211 -13.265 1.00 0.00 O ATOM 0 H GLU A 45 3.385 7.984 -10.439 1.00 0.00 H new ATOM 0 HA GLU A 45 0.939 8.016 -12.121 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.543 5.867 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.258 5.527 -11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.518 6.297 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.560 7.302 -12.637 1.00 0.00 H new ATOM 670 N LYS A 46 0.540 8.270 -9.041 1.00 0.00 N ATOM 671 CA LYS A 46 -0.449 8.246 -7.906 1.00 0.00 C ATOM 672 C LYS A 46 -0.905 6.804 -7.592 1.00 0.00 C ATOM 673 O LYS A 46 -2.088 6.515 -7.528 1.00 0.00 O ATOM 674 CB LYS A 46 -1.620 9.105 -8.400 1.00 0.00 C ATOM 675 CG LYS A 46 -1.736 10.383 -7.556 1.00 0.00 C ATOM 676 CD LYS A 46 -0.514 11.288 -7.775 1.00 0.00 C ATOM 677 CE LYS A 46 -0.507 11.803 -9.218 1.00 0.00 C ATOM 678 NZ LYS A 46 0.926 12.073 -9.545 1.00 0.00 N ATOM 0 H LYS A 46 1.332 8.898 -8.901 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.022 8.626 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.472 9.365 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.548 8.536 -8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.646 10.920 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.818 10.122 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.541 12.127 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.402 10.734 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.932 11.065 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.107 12.708 -9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.114 11.801 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.125 13.086 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.537 11.520 -8.910 1.00 0.00 H new ATOM 692 N ASN A 47 0.020 5.890 -7.403 1.00 0.00 N ATOM 693 CA ASN A 47 -0.380 4.472 -7.109 1.00 0.00 C ATOM 694 C ASN A 47 0.706 3.719 -6.326 1.00 0.00 C ATOM 695 O ASN A 47 1.877 4.058 -6.369 1.00 0.00 O ATOM 696 CB ASN A 47 -0.565 3.835 -8.493 1.00 0.00 C ATOM 697 CG ASN A 47 -1.968 3.249 -8.615 1.00 0.00 C ATOM 698 OD1 ASN A 47 -2.180 2.088 -8.351 1.00 0.00 O ATOM 699 ND2 ASN A 47 -2.940 4.014 -9.007 1.00 0.00 N ATOM 0 H ASN A 47 1.025 6.061 -7.439 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.277 4.431 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.405 4.582 -9.270 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.179 3.053 -8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.884 3.636 -9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.760 4.993 -9.229 1.00 0.00 H new ATOM 706 N ALA A 48 0.319 2.680 -5.626 1.00 0.00 N ATOM 707 CA ALA A 48 1.307 1.870 -4.849 1.00 0.00 C ATOM 708 C ALA A 48 1.020 0.376 -5.039 1.00 0.00 C ATOM 709 O ALA A 48 -0.089 -0.085 -4.831 1.00 0.00 O ATOM 710 CB ALA A 48 1.113 2.274 -3.386 1.00 0.00 C ATOM 0 H ALA A 48 -0.646 2.357 -5.560 1.00 0.00 H new ATOM 0 HA ALA A 48 2.331 2.047 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.808 1.716 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.301 3.342 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.091 2.052 -3.080 1.00 0.00 H new ATOM 716 N THR A 49 2.011 -0.384 -5.428 1.00 0.00 N ATOM 717 CA THR A 49 1.800 -1.846 -5.629 1.00 0.00 C ATOM 718 C THR A 49 2.852 -2.642 -4.847 1.00 0.00 C ATOM 719 O THR A 49 4.046 -2.486 -5.046 1.00 0.00 O ATOM 720 CB THR A 49 1.908 -2.075 -7.144 1.00 0.00 C ATOM 721 OG1 THR A 49 1.551 -3.417 -7.445 1.00 0.00 O ATOM 722 CG2 THR A 49 3.338 -1.811 -7.618 1.00 0.00 C ATOM 0 H THR A 49 2.958 -0.054 -5.615 1.00 0.00 H new ATOM 0 HA THR A 49 0.831 -2.183 -5.260 1.00 0.00 H new ATOM 0 HB THR A 49 1.233 -1.389 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.580 -3.523 -7.366 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.401 -1.977 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.611 -0.780 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.022 -2.488 -7.106 1.00 0.00 H new ATOM 730 N ILE A 50 2.419 -3.466 -3.930 1.00 0.00 N ATOM 731 CA ILE A 50 3.395 -4.249 -3.104 1.00 0.00 C ATOM 732 C ILE A 50 2.880 -5.671 -2.841 1.00 0.00 C ATOM 733 O ILE A 50 1.759 -6.012 -3.171 1.00 0.00 O ATOM 734 CB ILE A 50 3.501 -3.483 -1.766 1.00 0.00 C ATOM 735 CG1 ILE A 50 2.206 -3.651 -0.962 1.00 0.00 C ATOM 736 CG2 ILE A 50 3.733 -1.991 -2.017 1.00 0.00 C ATOM 737 CD1 ILE A 50 2.334 -4.855 -0.026 1.00 0.00 C ATOM 0 H ILE A 50 1.436 -3.633 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 50 4.354 -4.345 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 50 4.343 -3.892 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.005 -2.749 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.362 -3.791 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.805 -1.468 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.659 -1.856 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.900 -1.585 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.412 -4.972 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.514 -5.755 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.167 -4.696 0.659 1.00 0.00 H new ATOM 749 N ILE A 51 3.679 -6.477 -2.189 1.00 0.00 N ATOM 750 CA ILE A 51 3.242 -7.856 -1.828 1.00 0.00 C ATOM 751 C ILE A 51 3.246 -7.946 -0.309 1.00 0.00 C ATOM 752 O ILE A 51 3.982 -7.245 0.351 1.00 0.00 O ATOM 753 CB ILE A 51 4.244 -8.832 -2.475 1.00 0.00 C ATOM 754 CG1 ILE A 51 4.115 -10.221 -1.833 1.00 0.00 C ATOM 755 CG2 ILE A 51 5.676 -8.336 -2.326 1.00 0.00 C ATOM 756 CD1 ILE A 51 4.839 -10.245 -0.485 1.00 0.00 C ATOM 0 H ILE A 51 4.623 -6.235 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 51 2.241 -8.102 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 51 4.010 -8.894 -3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.063 -10.470 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.537 -10.977 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.358 -9.047 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.777 -7.365 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.920 -8.241 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.742 -11.234 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.894 -10.016 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.397 -9.502 0.179 1.00 0.00 H new ATOM 768 N TYR A 52 2.402 -8.757 0.247 1.00 0.00 N ATOM 769 CA TYR A 52 2.317 -8.833 1.732 1.00 0.00 C ATOM 770 C TYR A 52 1.797 -10.198 2.184 1.00 0.00 C ATOM 771 O TYR A 52 1.339 -11.003 1.391 1.00 0.00 O ATOM 772 CB TYR A 52 1.294 -7.737 2.086 1.00 0.00 C ATOM 773 CG TYR A 52 0.017 -8.018 1.324 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.062 -7.724 -0.046 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.068 -8.625 1.969 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.204 -8.048 -0.760 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.222 -8.934 1.247 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.289 -8.652 -0.118 1.00 0.00 C ATOM 779 OH TYR A 52 -3.404 -9.013 -0.837 1.00 0.00 O ATOM 0 H TYR A 52 1.765 -9.373 -0.258 1.00 0.00 H new ATOM 0 HA TYR A 52 3.285 -8.700 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.102 -7.728 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.684 -6.754 1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.768 -7.245 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.012 -8.854 3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.256 -7.833 -1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.064 -9.392 1.745 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.063 -9.421 -0.237 1.00 0.00 H new ATOM 789 N ASP A 53 1.837 -10.443 3.460 1.00 0.00 N ATOM 790 CA ASP A 53 1.318 -11.728 3.994 1.00 0.00 C ATOM 791 C ASP A 53 -0.190 -11.588 4.232 1.00 0.00 C ATOM 792 O ASP A 53 -0.604 -10.802 5.063 1.00 0.00 O ATOM 793 CB ASP A 53 2.071 -11.932 5.312 1.00 0.00 C ATOM 794 CG ASP A 53 2.725 -13.309 5.327 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.094 -14.256 4.874 1.00 0.00 O ATOM 796 OD2 ASP A 53 3.838 -13.408 5.804 1.00 0.00 O ATOM 0 H ASP A 53 2.210 -9.803 4.162 1.00 0.00 H new ATOM 0 HA ASP A 53 1.464 -12.573 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.829 -11.158 5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.383 -11.837 6.152 1.00 0.00 H new ATOM 801 N PRO A 54 -0.972 -12.354 3.501 1.00 0.00 N ATOM 802 CA PRO A 54 -2.456 -12.294 3.651 1.00 0.00 C ATOM 803 C PRO A 54 -2.854 -12.660 5.085 1.00 0.00 C ATOM 804 O PRO A 54 -3.900 -12.276 5.568 1.00 0.00 O ATOM 805 CB PRO A 54 -2.957 -13.316 2.623 1.00 0.00 C ATOM 806 CG PRO A 54 -1.797 -14.233 2.423 1.00 0.00 C ATOM 807 CD PRO A 54 -0.576 -13.357 2.505 1.00 0.00 C ATOM 0 HA PRO A 54 -2.882 -11.306 3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.831 -13.854 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.248 -12.833 1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.775 -15.010 3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.856 -14.736 1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.305 -13.917 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.337 -12.902 1.544 1.00 0.00 H new ATOM 815 N LYS A 55 -1.999 -13.374 5.773 1.00 0.00 N ATOM 816 CA LYS A 55 -2.275 -13.748 7.194 1.00 0.00 C ATOM 817 C LYS A 55 -1.952 -12.567 8.136 1.00 0.00 C ATOM 818 O LYS A 55 -2.259 -12.609 9.311 1.00 0.00 O ATOM 819 CB LYS A 55 -1.352 -14.948 7.482 1.00 0.00 C ATOM 820 CG LYS A 55 0.089 -14.629 7.048 1.00 0.00 C ATOM 821 CD LYS A 55 1.080 -15.460 7.873 1.00 0.00 C ATOM 822 CE LYS A 55 1.488 -16.713 7.087 1.00 0.00 C ATOM 823 NZ LYS A 55 2.638 -16.287 6.235 1.00 0.00 N ATOM 0 H LYS A 55 -1.111 -13.718 5.406 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.324 -13.997 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.375 -15.186 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.713 -15.829 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.215 -14.845 5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.292 -13.567 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.962 -14.864 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.627 -15.746 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.775 -17.522 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.662 -17.081 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.065 -17.122 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.302 -15.633 5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.349 -15.809 6.825 1.00 0.00 H new ATOM 837 N LEU A 56 -1.336 -11.517 7.631 1.00 0.00 N ATOM 838 CA LEU A 56 -0.998 -10.343 8.503 1.00 0.00 C ATOM 839 C LEU A 56 -1.438 -9.025 7.841 1.00 0.00 C ATOM 840 O LEU A 56 -2.048 -8.183 8.473 1.00 0.00 O ATOM 841 CB LEU A 56 0.523 -10.389 8.657 1.00 0.00 C ATOM 842 CG LEU A 56 0.941 -9.533 9.853 1.00 0.00 C ATOM 843 CD1 LEU A 56 1.588 -10.420 10.915 1.00 0.00 C ATOM 844 CD2 LEU A 56 1.949 -8.481 9.394 1.00 0.00 C ATOM 0 H LEU A 56 -1.054 -11.425 6.655 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.509 -10.390 9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.854 -11.418 8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.002 -10.023 7.749 1.00 0.00 H new ATOM 0 HG LEU A 56 0.063 -9.043 10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.886 -9.809 11.767 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.874 -11.176 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.467 -10.909 10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.249 -7.869 10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.826 -8.975 8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.493 -7.847 8.634 1.00 0.00 H new ATOM 856 N GLN A 57 -1.141 -8.842 6.578 1.00 0.00 N ATOM 857 CA GLN A 57 -1.557 -7.582 5.881 1.00 0.00 C ATOM 858 C GLN A 57 -2.647 -7.883 4.844 1.00 0.00 C ATOM 859 O GLN A 57 -2.762 -8.988 4.347 1.00 0.00 O ATOM 860 CB GLN A 57 -0.294 -7.051 5.195 1.00 0.00 C ATOM 861 CG GLN A 57 0.395 -6.027 6.106 1.00 0.00 C ATOM 862 CD GLN A 57 0.411 -4.648 5.437 1.00 0.00 C ATOM 863 OE1 GLN A 57 -0.683 -3.941 5.388 1.00 0.00 O flip ATOM 864 NE2 GLN A 57 1.432 -4.206 4.954 1.00 0.00 N flip ATOM 0 H GLN A 57 -0.630 -9.508 5.999 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.971 -6.852 6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.386 -7.874 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.552 -6.589 4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.127 -5.970 7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.415 -6.347 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.292 -4.754 4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.431 -3.286 4.513 1.00 0.00 H new ATOM 873 N THR A 58 -3.453 -6.905 4.527 1.00 0.00 N ATOM 874 CA THR A 58 -4.554 -7.114 3.532 1.00 0.00 C ATOM 875 C THR A 58 -4.746 -5.852 2.668 1.00 0.00 C ATOM 876 O THR A 58 -4.097 -4.848 2.895 1.00 0.00 O ATOM 877 CB THR A 58 -5.810 -7.385 4.380 1.00 0.00 C ATOM 878 OG1 THR A 58 -5.881 -6.445 5.452 1.00 0.00 O ATOM 879 CG2 THR A 58 -5.754 -8.810 4.938 1.00 0.00 C ATOM 0 H THR A 58 -3.398 -5.963 4.915 1.00 0.00 H new ATOM 0 HA THR A 58 -4.338 -7.934 2.846 1.00 0.00 H new ATOM 0 HB THR A 58 -6.697 -7.279 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.682 -6.620 5.988 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.644 -9.001 5.538 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.713 -9.522 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.866 -8.923 5.560 1.00 0.00 H new ATOM 887 N PRO A 59 -5.635 -5.936 1.697 1.00 0.00 N ATOM 888 CA PRO A 59 -5.900 -4.770 0.796 1.00 0.00 C ATOM 889 C PRO A 59 -6.518 -3.584 1.549 1.00 0.00 C ATOM 890 O PRO A 59 -6.410 -2.449 1.126 1.00 0.00 O ATOM 891 CB PRO A 59 -6.886 -5.329 -0.228 1.00 0.00 C ATOM 892 CG PRO A 59 -7.539 -6.481 0.463 1.00 0.00 C ATOM 893 CD PRO A 59 -6.487 -7.088 1.350 1.00 0.00 C ATOM 0 HA PRO A 59 -4.984 -4.379 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.618 -4.578 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.375 -5.650 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.397 -6.149 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.908 -7.210 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.924 -7.548 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.923 -7.865 0.833 1.00 0.00 H new ATOM 901 N LYS A 60 -7.154 -3.831 2.662 1.00 0.00 N ATOM 902 CA LYS A 60 -7.778 -2.716 3.441 1.00 0.00 C ATOM 903 C LYS A 60 -6.781 -2.161 4.459 1.00 0.00 C ATOM 904 O LYS A 60 -6.799 -0.992 4.774 1.00 0.00 O ATOM 905 CB LYS A 60 -8.991 -3.336 4.140 1.00 0.00 C ATOM 906 CG LYS A 60 -10.276 -2.854 3.456 1.00 0.00 C ATOM 907 CD LYS A 60 -10.484 -1.362 3.746 1.00 0.00 C ATOM 908 CE LYS A 60 -11.861 -0.917 3.241 1.00 0.00 C ATOM 909 NZ LYS A 60 -11.655 -0.542 1.806 1.00 0.00 N ATOM 0 H LYS A 60 -7.270 -4.759 3.069 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.071 -1.882 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.931 -4.424 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.000 -3.056 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.212 -3.020 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.130 -3.428 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.403 -1.176 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.703 -0.776 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.593 -1.719 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.237 -0.072 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.450 0.046 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.768 -0.008 1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.604 -1.404 1.226 1.00 0.00 H new ATOM 923 N THR A 61 -5.885 -2.986 4.931 1.00 0.00 N ATOM 924 CA THR A 61 -4.846 -2.510 5.893 1.00 0.00 C ATOM 925 C THR A 61 -3.725 -1.863 5.084 1.00 0.00 C ATOM 926 O THR A 61 -3.046 -0.968 5.541 1.00 0.00 O ATOM 927 CB THR A 61 -4.352 -3.751 6.652 1.00 0.00 C ATOM 928 OG1 THR A 61 -4.152 -4.832 5.747 1.00 0.00 O ATOM 929 CG2 THR A 61 -5.384 -4.148 7.707 1.00 0.00 C ATOM 0 H THR A 61 -5.827 -3.976 4.691 1.00 0.00 H new ATOM 0 HA THR A 61 -5.223 -1.775 6.604 1.00 0.00 H new ATOM 0 HB THR A 61 -3.405 -3.517 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.942 -5.412 5.751 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.034 -5.029 8.246 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.523 -3.325 8.408 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.333 -4.374 7.221 1.00 0.00 H new ATOM 937 N LEU A 62 -3.580 -2.276 3.848 1.00 0.00 N ATOM 938 CA LEU A 62 -2.558 -1.648 2.957 1.00 0.00 C ATOM 939 C LEU A 62 -3.124 -0.298 2.497 1.00 0.00 C ATOM 940 O LEU A 62 -2.406 0.661 2.259 1.00 0.00 O ATOM 941 CB LEU A 62 -2.394 -2.612 1.773 1.00 0.00 C ATOM 942 CG LEU A 62 -1.194 -3.531 2.018 1.00 0.00 C ATOM 943 CD1 LEU A 62 -1.442 -4.899 1.377 1.00 0.00 C ATOM 944 CD2 LEU A 62 0.054 -2.905 1.397 1.00 0.00 C ATOM 0 H LEU A 62 -4.127 -3.022 3.418 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.596 -1.477 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.299 -3.206 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.251 -2.049 0.851 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.053 -3.658 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.583 -5.546 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.333 -5.349 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.586 -4.777 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.911 -3.556 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.097 -2.779 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.239 -1.933 1.854 1.00 0.00 H new ATOM 956 N GLN A 63 -4.432 -0.212 2.441 1.00 0.00 N ATOM 957 CA GLN A 63 -5.102 1.070 2.068 1.00 0.00 C ATOM 958 C GLN A 63 -5.177 1.938 3.327 1.00 0.00 C ATOM 959 O GLN A 63 -5.200 3.150 3.265 1.00 0.00 O ATOM 960 CB GLN A 63 -6.502 0.662 1.573 1.00 0.00 C ATOM 961 CG GLN A 63 -7.544 1.705 1.998 1.00 0.00 C ATOM 962 CD GLN A 63 -8.823 1.522 1.180 1.00 0.00 C ATOM 963 OE1 GLN A 63 -9.564 0.576 1.385 1.00 0.00 O ATOM 964 NE2 GLN A 63 -9.123 2.389 0.259 1.00 0.00 N ATOM 0 H GLN A 63 -5.068 -0.984 2.640 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.580 1.640 1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.497 0.565 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.768 -0.314 1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.763 1.602 3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.148 2.710 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.506 3.182 0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.976 2.276 -0.289 1.00 0.00 H new ATOM 973 N GLU A 64 -5.152 1.300 4.471 1.00 0.00 N ATOM 974 CA GLU A 64 -5.165 2.040 5.767 1.00 0.00 C ATOM 975 C GLU A 64 -3.725 2.429 6.097 1.00 0.00 C ATOM 976 O GLU A 64 -3.470 3.352 6.836 1.00 0.00 O ATOM 977 CB GLU A 64 -5.761 1.058 6.794 1.00 0.00 C ATOM 978 CG GLU A 64 -4.725 0.692 7.869 1.00 0.00 C ATOM 979 CD GLU A 64 -5.169 -0.563 8.625 1.00 0.00 C ATOM 980 OE1 GLU A 64 -6.327 -0.631 9.007 1.00 0.00 O ATOM 981 OE2 GLU A 64 -4.340 -1.441 8.806 1.00 0.00 O ATOM 0 H GLU A 64 -5.123 0.284 4.561 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.754 2.957 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.637 1.505 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.098 0.155 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.753 0.521 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.604 1.522 8.566 1.00 0.00 H new ATOM 988 N ALA A 65 -2.790 1.754 5.483 1.00 0.00 N ATOM 989 CA ALA A 65 -1.356 2.098 5.676 1.00 0.00 C ATOM 990 C ALA A 65 -1.074 3.308 4.790 1.00 0.00 C ATOM 991 O ALA A 65 -0.281 4.175 5.120 1.00 0.00 O ATOM 992 CB ALA A 65 -0.572 0.867 5.206 1.00 0.00 C ATOM 0 H ALA A 65 -2.963 0.972 4.851 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.085 2.342 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.496 1.051 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.858 0.003 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.796 0.671 4.157 1.00 0.00 H new ATOM 998 N ILE A 66 -1.784 3.398 3.689 1.00 0.00 N ATOM 999 CA ILE A 66 -1.626 4.586 2.797 1.00 0.00 C ATOM 1000 C ILE A 66 -2.433 5.718 3.422 1.00 0.00 C ATOM 1001 O ILE A 66 -2.011 6.862 3.454 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.188 4.176 1.427 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -1.156 3.309 0.700 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -2.474 5.427 0.586 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -1.818 2.571 -0.466 1.00 0.00 C ATOM 0 H ILE A 66 -2.461 2.704 3.373 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.594 4.915 2.678 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.113 3.617 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.341 3.932 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.719 2.591 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.872 5.130 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.203 6.053 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.551 5.988 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.076 1.957 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.617 1.934 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.233 3.296 -1.166 1.00 0.00 H new ATOM 1017 N ASP A 67 -3.571 5.382 3.984 1.00 0.00 N ATOM 1018 CA ASP A 67 -4.383 6.416 4.679 1.00 0.00 C ATOM 1019 C ASP A 67 -3.640 6.801 5.973 1.00 0.00 C ATOM 1020 O ASP A 67 -3.710 7.923 6.432 1.00 0.00 O ATOM 1021 CB ASP A 67 -5.733 5.747 4.971 1.00 0.00 C ATOM 1022 CG ASP A 67 -6.761 6.159 3.910 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -7.058 7.339 3.825 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -7.244 5.283 3.206 1.00 0.00 O ATOM 0 H ASP A 67 -3.965 4.441 3.989 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.536 7.326 4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.618 4.663 4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.085 6.035 5.962 1.00 0.00 H new ATOM 1029 N ASP A 68 -2.889 5.871 6.533 1.00 0.00 N ATOM 1030 CA ASP A 68 -2.092 6.167 7.770 1.00 0.00 C ATOM 1031 C ASP A 68 -0.948 7.123 7.410 1.00 0.00 C ATOM 1032 O ASP A 68 -0.726 8.121 8.073 1.00 0.00 O ATOM 1033 CB ASP A 68 -1.541 4.805 8.225 1.00 0.00 C ATOM 1034 CG ASP A 68 -0.309 4.988 9.121 1.00 0.00 C ATOM 1035 OD1 ASP A 68 0.789 5.045 8.584 1.00 0.00 O ATOM 1036 OD2 ASP A 68 -0.481 5.053 10.328 1.00 0.00 O ATOM 0 H ASP A 68 -2.796 4.918 6.182 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.682 6.640 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.313 4.258 8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.277 4.205 7.354 1.00 0.00 H new ATOM 1041 N MET A 69 -0.230 6.827 6.351 1.00 0.00 N ATOM 1042 CA MET A 69 0.891 7.721 5.929 1.00 0.00 C ATOM 1043 C MET A 69 0.363 9.145 5.703 1.00 0.00 C ATOM 1044 O MET A 69 1.027 10.119 6.007 1.00 0.00 O ATOM 1045 CB MET A 69 1.416 7.120 4.618 1.00 0.00 C ATOM 1046 CG MET A 69 2.952 7.154 4.593 1.00 0.00 C ATOM 1047 SD MET A 69 3.572 8.485 5.656 1.00 0.00 S ATOM 1048 CE MET A 69 4.771 7.502 6.585 1.00 0.00 C ATOM 0 H MET A 69 -0.373 6.006 5.763 1.00 0.00 H new ATOM 0 HA MET A 69 1.677 7.786 6.681 1.00 0.00 H new ATOM 0 HB2 MET A 69 1.067 6.093 4.515 1.00 0.00 H new ATOM 0 HB3 MET A 69 1.019 7.678 3.770 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.349 6.196 4.930 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.302 7.303 3.572 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.549 8.155 6.981 1.00 0.00 H new ATOM 0 HE2 MET A 69 4.267 6.997 7.409 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.221 6.760 5.926 1.00 0.00 H new ATOM 1058 N GLY A 70 -0.836 9.268 5.183 1.00 0.00 N ATOM 1059 CA GLY A 70 -1.426 10.621 4.951 1.00 0.00 C ATOM 1060 C GLY A 70 -1.743 10.825 3.467 1.00 0.00 C ATOM 1061 O GLY A 70 -1.621 11.920 2.951 1.00 0.00 O ATOM 0 H GLY A 70 -1.431 8.486 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.336 10.733 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.731 11.389 5.289 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.152 9.789 2.777 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.480 9.933 1.323 1.00 0.00 C ATOM 1067 C PHE A 71 -3.785 9.198 0.990 1.00 0.00 C ATOM 1068 O PHE A 71 -4.068 8.148 1.534 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.300 9.292 0.588 1.00 0.00 C ATOM 1070 CG PHE A 71 -0.053 10.110 0.833 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.172 11.271 0.089 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.868 9.717 1.813 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.318 12.040 0.322 1.00 0.00 C ATOM 1074 CE2 PHE A 71 2.015 10.482 2.042 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.239 11.645 1.299 1.00 0.00 C ATOM 0 H PHE A 71 -2.273 8.850 3.157 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.626 10.974 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.152 8.270 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.509 9.238 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.538 11.575 -0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.691 8.822 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.492 12.938 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.728 10.175 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.123 12.239 1.479 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.576 9.737 0.096 1.00 0.00 N ATOM 1086 CA ASP A 72 -5.859 9.060 -0.271 1.00 0.00 C ATOM 1087 C ASP A 72 -5.570 7.665 -0.849 1.00 0.00 C ATOM 1088 O ASP A 72 -4.747 7.506 -1.736 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.514 9.959 -1.325 1.00 0.00 C ATOM 1090 CG ASP A 72 -8.021 9.705 -1.342 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -8.431 8.769 -2.006 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -8.737 10.449 -0.691 1.00 0.00 O ATOM 0 H ASP A 72 -4.391 10.612 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.510 8.921 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.313 11.007 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.089 9.756 -2.308 1.00 0.00 H new ATOM 1097 N ALA A 73 -6.235 6.659 -0.348 1.00 0.00 N ATOM 1098 CA ALA A 73 -5.993 5.276 -0.854 1.00 0.00 C ATOM 1099 C ALA A 73 -7.190 4.787 -1.679 1.00 0.00 C ATOM 1100 O ALA A 73 -8.289 4.633 -1.179 1.00 0.00 O ATOM 1101 CB ALA A 73 -5.805 4.425 0.404 1.00 0.00 C ATOM 0 H ALA A 73 -6.935 6.734 0.390 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.126 5.221 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.621 3.389 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.955 4.801 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.705 4.478 1.017 1.00 0.00 H new ATOM 1107 N VAL A 74 -6.968 4.530 -2.940 1.00 0.00 N ATOM 1108 CA VAL A 74 -8.062 4.039 -3.830 1.00 0.00 C ATOM 1109 C VAL A 74 -7.631 2.702 -4.450 1.00 0.00 C ATOM 1110 O VAL A 74 -7.277 2.611 -5.610 1.00 0.00 O ATOM 1111 CB VAL A 74 -8.239 5.147 -4.883 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -9.168 4.679 -6.007 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -8.854 6.380 -4.220 1.00 0.00 C ATOM 0 H VAL A 74 -6.063 4.641 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.004 3.852 -3.314 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.262 5.387 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.281 5.476 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.742 3.799 -6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.144 4.428 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.981 7.167 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.824 6.120 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.196 6.733 -3.426 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.634 1.677 -3.640 1.00 0.00 N ATOM 1124 CA ILE A 75 -7.221 0.302 -4.070 1.00 0.00 C ATOM 1125 C ILE A 75 -7.626 -0.006 -5.515 1.00 0.00 C ATOM 1126 O ILE A 75 -8.727 0.271 -5.944 1.00 0.00 O ATOM 1127 CB ILE A 75 -7.975 -0.638 -3.127 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -7.503 -0.440 -1.681 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -7.736 -2.095 -3.541 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -8.180 -1.474 -0.779 1.00 0.00 C ATOM 0 H ILE A 75 -7.916 1.736 -2.661 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.137 0.195 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.039 -0.408 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.420 -0.544 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.745 0.568 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.276 -2.758 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.092 -2.247 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.670 -2.317 -3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.846 -1.335 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.262 -1.348 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.916 -2.477 -1.114 1.00 0.00 H new