USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 962 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 96 TYR OH : rot 20:sc= 0.997 USER MOD Set 1.2: A 98 GLN : amide:sc= -1.2! C(o=-0.2!,f=-4.1!) USER MOD Set 2.1: A 75 HIS : no HE2:sc= -0.191 K(o=-1.2,f=-4.5) USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= -0.961 F(o=-2.3,f=-1.2) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 160:sc= -0.345 (180deg=-1.37!) USER MOD Set 3.2: A 54 TYR OH : rot 165:sc= -0.0307 USER MOD Set 4.1: A 18 SER OG : rot 140:sc= -0.237 USER MOD Set 4.2: A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -12.8! C(o=-13!,f=-18!) USER MOD Single : A 21 TYR OH : rot -160:sc= -1.33! USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 26 SER OG : rot 49:sc= -0.136 USER MOD Single : A 27 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.128 K(o=-0.13,f=-2!) USER MOD Single : A 46 THR OG1 : rot 140:sc= -0.984 USER MOD Single : A 47 SER OG : rot 30:sc= 0.523 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.46) USER MOD Single : A 62 LYS NZ :NH3+ 140:sc= 0.116 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 109:sc=-0.00819 USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.14 (180deg=-0.886) USER MOD Single : A 68 LYS NZ :NH3+ -120:sc= 0.697 (180deg=-0.88) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00333 K(o=-0.0033,f=-3.2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 115 SER OG : rot -8:sc= 0.9 USER MOD Single : A 119 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.099) USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0367) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 126 MET CE :methyl -149:sc= -0.111 (180deg=-0.665) USER MOD Single : A 127 GLN :FLIP amide:sc= -5.8! C(o=-7.1!,f=-5.8!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 17.425 9.495 1.962 1.00 0.00 N ATOM 131 CA LEU A 12 16.053 9.475 1.467 1.00 0.00 C ATOM 132 C LEU A 12 15.087 9.021 2.556 1.00 0.00 C ATOM 133 O LEU A 12 13.886 9.278 2.482 1.00 0.00 O ATOM 134 CB LEU A 12 15.941 8.551 0.253 1.00 0.00 C ATOM 135 CG LEU A 12 16.795 8.928 -0.958 1.00 0.00 C ATOM 136 CD1 LEU A 12 16.805 7.799 -1.977 1.00 0.00 C ATOM 137 CD2 LEU A 12 16.286 10.215 -1.591 1.00 0.00 C ATOM 0 HA LEU A 12 15.786 10.489 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 12 16.212 7.542 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.897 8.519 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 12 17.818 9.093 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.418 8.086 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.218 6.900 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.786 7.601 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.906 10.467 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.254 10.078 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.332 11.023 -0.861 1.00 0.00 H new ATOM 149 N GLY A 13 15.621 8.345 3.569 1.00 0.00 N ATOM 150 CA GLY A 13 14.792 7.868 4.661 1.00 0.00 C ATOM 151 C GLY A 13 14.345 6.433 4.465 1.00 0.00 C ATOM 152 O GLY A 13 14.525 5.861 3.390 1.00 0.00 O ATOM 0 H GLY A 13 16.612 8.119 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.347 7.948 5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.915 8.509 4.754 1.00 0.00 H new ATOM 156 N ARG A 14 13.763 5.849 5.507 1.00 0.00 N ATOM 157 CA ARG A 14 13.292 4.470 5.445 1.00 0.00 C ATOM 158 C ARG A 14 11.797 4.393 5.743 1.00 0.00 C ATOM 159 O ARG A 14 11.230 5.295 6.360 1.00 0.00 O ATOM 160 CB ARG A 14 14.066 3.599 6.436 1.00 0.00 C ATOM 161 CG ARG A 14 13.896 4.026 7.885 1.00 0.00 C ATOM 162 CD ARG A 14 15.057 3.552 8.745 1.00 0.00 C ATOM 163 NE ARG A 14 15.048 4.175 10.066 1.00 0.00 N ATOM 164 CZ ARG A 14 15.906 3.862 11.032 1.00 0.00 C ATOM 165 NH1 ARG A 14 16.835 2.940 10.824 1.00 0.00 N ATOM 166 NH2 ARG A 14 15.835 4.473 12.207 1.00 0.00 N ATOM 0 H ARG A 14 13.606 6.309 6.404 1.00 0.00 H new ATOM 0 HA ARG A 14 13.464 4.099 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.739 2.565 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.125 3.626 6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.821 5.112 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.963 3.622 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 14 15.009 2.469 8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.997 3.780 8.243 1.00 0.00 H new ATOM 0 HE ARG A 14 14.345 4.889 10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.893 2.469 9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.492 2.702 11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.122 5.184 12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.494 4.232 12.948 1.00 0.00 H new ATOM 180 N ILE A 15 11.166 3.310 5.301 1.00 0.00 N ATOM 181 CA ILE A 15 9.739 3.115 5.521 1.00 0.00 C ATOM 182 C ILE A 15 9.469 1.803 6.250 1.00 0.00 C ATOM 183 O ILE A 15 10.120 0.792 5.989 1.00 0.00 O ATOM 184 CB ILE A 15 8.958 3.121 4.193 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.452 3.116 4.462 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.354 1.925 3.341 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.632 3.657 3.312 1.00 0.00 C ATOM 0 H ILE A 15 11.621 2.555 4.788 1.00 0.00 H new ATOM 0 HA ILE A 15 9.399 3.947 6.137 1.00 0.00 H new ATOM 0 HB ILE A 15 9.207 4.030 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.133 2.096 4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.248 3.709 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.794 1.943 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.422 1.969 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.131 1.004 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.574 3.624 3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.924 4.688 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.806 3.050 2.424 1.00 0.00 H new ATOM 199 N GLN A 16 8.504 1.828 7.163 1.00 0.00 N ATOM 200 CA GLN A 16 8.147 0.640 7.929 1.00 0.00 C ATOM 201 C GLN A 16 6.692 0.253 7.688 1.00 0.00 C ATOM 202 O GLN A 16 5.775 1.003 8.026 1.00 0.00 O ATOM 203 CB GLN A 16 8.383 0.879 9.422 1.00 0.00 C ATOM 204 CG GLN A 16 7.957 -0.287 10.300 1.00 0.00 C ATOM 205 CD GLN A 16 7.664 0.134 11.726 1.00 0.00 C ATOM 206 OE1 GLN A 16 7.245 1.265 11.978 1.00 0.00 O ATOM 207 NE2 GLN A 16 7.881 -0.775 12.669 1.00 0.00 N ATOM 0 H GLN A 16 7.956 2.657 7.390 1.00 0.00 H new ATOM 0 HA GLN A 16 8.782 -0.180 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.442 1.079 9.586 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.839 1.772 9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.069 -0.753 9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.743 -1.042 10.302 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.229 -1.700 12.416 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.700 -0.549 13.647 1.00 0.00 H new ATOM 216 N PHE A 17 6.486 -0.922 7.102 1.00 0.00 N ATOM 217 CA PHE A 17 5.141 -1.408 6.815 1.00 0.00 C ATOM 218 C PHE A 17 5.026 -2.899 7.117 1.00 0.00 C ATOM 219 O PHE A 17 5.972 -3.660 6.914 1.00 0.00 O ATOM 220 CB PHE A 17 4.783 -1.143 5.351 1.00 0.00 C ATOM 221 CG PHE A 17 5.705 -1.819 4.376 1.00 0.00 C ATOM 222 CD1 PHE A 17 6.914 -1.237 4.029 1.00 0.00 C ATOM 223 CD2 PHE A 17 5.363 -3.035 3.808 1.00 0.00 C ATOM 224 CE1 PHE A 17 7.765 -1.856 3.133 1.00 0.00 C ATOM 225 CE2 PHE A 17 6.211 -3.658 2.911 1.00 0.00 C ATOM 226 CZ PHE A 17 7.412 -3.068 2.573 1.00 0.00 C ATOM 0 H PHE A 17 7.233 -1.555 6.817 1.00 0.00 H new ATOM 0 HA PHE A 17 4.442 -0.871 7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.763 -1.481 5.168 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.800 -0.068 5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.194 -0.289 4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.424 -3.501 4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.705 -1.393 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.934 -4.606 2.475 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.075 -3.553 1.872 1.00 0.00 H new ATOM 236 N SER A 18 3.859 -3.309 7.604 1.00 0.00 N ATOM 237 CA SER A 18 3.620 -4.708 7.939 1.00 0.00 C ATOM 238 C SER A 18 2.820 -5.400 6.840 1.00 0.00 C ATOM 239 O SER A 18 1.823 -4.867 6.352 1.00 0.00 O ATOM 240 CB SER A 18 2.876 -4.815 9.272 1.00 0.00 C ATOM 241 OG SER A 18 3.144 -6.053 9.907 1.00 0.00 O ATOM 0 H SER A 18 3.065 -2.693 7.775 1.00 0.00 H new ATOM 0 HA SER A 18 4.586 -5.205 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.174 -3.995 9.926 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.804 -4.714 9.103 1.00 0.00 H new ATOM 0 HG SER A 18 3.252 -5.910 10.870 1.00 0.00 H new ATOM 247 N VAL A 19 3.263 -6.593 6.456 1.00 0.00 N ATOM 248 CA VAL A 19 2.589 -7.361 5.416 1.00 0.00 C ATOM 249 C VAL A 19 1.962 -8.627 5.987 1.00 0.00 C ATOM 250 O VAL A 19 2.522 -9.261 6.880 1.00 0.00 O ATOM 251 CB VAL A 19 3.561 -7.747 4.285 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.814 -8.428 3.148 1.00 0.00 C ATOM 253 CG2 VAL A 19 4.309 -6.521 3.783 1.00 0.00 C ATOM 0 H VAL A 19 4.086 -7.049 6.850 1.00 0.00 H new ATOM 0 HA VAL A 19 1.805 -6.723 5.009 1.00 0.00 H new ATOM 0 HB VAL A 19 4.291 -8.452 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.517 -8.693 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.329 -9.330 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.060 -7.749 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.991 -6.813 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.596 -5.790 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.877 -6.081 4.602 1.00 0.00 H new ATOM 263 N GLY A 20 0.795 -8.991 5.463 1.00 0.00 N ATOM 264 CA GLY A 20 0.110 -10.181 5.933 1.00 0.00 C ATOM 265 C GLY A 20 -1.194 -10.427 5.201 1.00 0.00 C ATOM 266 O GLY A 20 -2.053 -9.547 5.137 1.00 0.00 O ATOM 0 H GLY A 20 0.312 -8.483 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.762 -11.045 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.089 -10.084 7.000 1.00 0.00 H new ATOM 270 N TYR A 21 -1.342 -11.624 4.645 1.00 0.00 N ATOM 271 CA TYR A 21 -2.550 -11.982 3.910 1.00 0.00 C ATOM 272 C TYR A 21 -3.368 -13.017 4.676 1.00 0.00 C ATOM 273 O TYR A 21 -2.829 -14.003 5.176 1.00 0.00 O ATOM 274 CB TYR A 21 -2.187 -12.524 2.526 1.00 0.00 C ATOM 275 CG TYR A 21 -3.390 -12.890 1.686 1.00 0.00 C ATOM 276 CD1 TYR A 21 -4.111 -14.050 1.938 1.00 0.00 C ATOM 277 CD2 TYR A 21 -3.805 -12.075 0.640 1.00 0.00 C ATOM 278 CE1 TYR A 21 -5.210 -14.389 1.172 1.00 0.00 C ATOM 279 CE2 TYR A 21 -4.903 -12.404 -0.130 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.602 -13.563 0.139 1.00 0.00 C ATOM 281 OH TYR A 21 -6.697 -13.896 -0.625 1.00 0.00 O ATOM 0 H TYR A 21 -0.641 -12.363 4.689 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.155 -11.083 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.597 -11.777 1.995 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.555 -13.404 2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.807 -14.698 2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.259 -11.168 0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.759 -15.295 1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.213 -11.758 -0.938 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.657 -13.418 -1.480 1.00 0.00 H new ATOM 291 N ASN A 22 -4.673 -12.783 4.763 1.00 0.00 N ATOM 292 CA ASN A 22 -5.568 -13.695 5.467 1.00 0.00 C ATOM 293 C ASN A 22 -6.150 -14.732 4.512 1.00 0.00 C ATOM 294 O ASN A 22 -6.667 -14.390 3.448 1.00 0.00 O ATOM 295 CB ASN A 22 -6.698 -12.914 6.141 1.00 0.00 C ATOM 296 CG ASN A 22 -6.279 -12.326 7.475 1.00 0.00 C ATOM 297 OD1 ASN A 22 -5.255 -11.649 7.573 1.00 0.00 O ATOM 298 ND2 ASN A 22 -7.071 -12.582 8.509 1.00 0.00 N ATOM 0 H ASN A 22 -5.135 -11.970 4.355 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.989 -14.215 6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.026 -12.111 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.553 -13.573 6.290 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.841 -12.213 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.910 -13.148 8.381 1.00 0.00 H new ATOM 305 N PHE A 23 -6.064 -16.000 4.900 1.00 0.00 N ATOM 306 CA PHE A 23 -6.582 -17.088 4.078 1.00 0.00 C ATOM 307 C PHE A 23 -8.108 -17.083 4.070 1.00 0.00 C ATOM 308 O PHE A 23 -8.732 -16.991 3.013 1.00 0.00 O ATOM 309 CB PHE A 23 -6.067 -18.433 4.593 1.00 0.00 C ATOM 310 CG PHE A 23 -4.623 -18.687 4.268 1.00 0.00 C ATOM 311 CD1 PHE A 23 -3.650 -17.760 4.606 1.00 0.00 C ATOM 312 CD2 PHE A 23 -4.239 -19.852 3.623 1.00 0.00 C ATOM 313 CE1 PHE A 23 -2.320 -17.990 4.308 1.00 0.00 C ATOM 314 CE2 PHE A 23 -2.910 -20.087 3.323 1.00 0.00 C ATOM 315 CZ PHE A 23 -1.950 -19.155 3.665 1.00 0.00 C ATOM 0 H PHE A 23 -5.641 -16.300 5.778 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.230 -16.939 3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.200 -18.474 5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.673 -19.232 4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.934 -16.847 5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.986 -20.584 3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.571 -17.260 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.623 -20.999 2.821 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.912 -19.337 3.430 1.00 0.00 H new ATOM 325 N GLN A 24 -8.701 -17.185 5.255 1.00 0.00 N ATOM 326 CA GLN A 24 -10.153 -17.194 5.384 1.00 0.00 C ATOM 327 C GLN A 24 -10.778 -16.055 4.586 1.00 0.00 C ATOM 328 O GLN A 24 -11.491 -16.287 3.610 1.00 0.00 O ATOM 329 CB GLN A 24 -10.556 -17.083 6.856 1.00 0.00 C ATOM 330 CG GLN A 24 -10.332 -18.362 7.647 1.00 0.00 C ATOM 331 CD GLN A 24 -11.310 -18.517 8.794 1.00 0.00 C ATOM 332 OE1 GLN A 24 -11.618 -17.554 9.498 1.00 0.00 O ATOM 333 NE2 GLN A 24 -11.805 -19.733 8.990 1.00 0.00 N ATOM 0 H GLN A 24 -8.198 -17.263 6.139 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.522 -18.138 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.989 -16.275 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.609 -16.808 6.916 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.423 -19.218 6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.315 -18.369 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.523 -20.503 8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.468 -19.898 9.748 1.00 0.00 H new ATOM 342 N GLU A 25 -10.505 -14.824 5.008 1.00 0.00 N ATOM 343 CA GLU A 25 -11.042 -13.649 4.332 1.00 0.00 C ATOM 344 C GLU A 25 -10.391 -13.463 2.964 1.00 0.00 C ATOM 345 O GLU A 25 -10.742 -12.550 2.217 1.00 0.00 O ATOM 346 CB GLU A 25 -10.826 -12.398 5.186 1.00 0.00 C ATOM 347 CG GLU A 25 -11.679 -12.365 6.443 1.00 0.00 C ATOM 348 CD GLU A 25 -13.148 -12.611 6.158 1.00 0.00 C ATOM 349 OE1 GLU A 25 -13.602 -12.266 5.047 1.00 0.00 O ATOM 350 OE2 GLU A 25 -13.844 -13.147 7.046 1.00 0.00 O ATOM 0 H GLU A 25 -9.916 -14.615 5.814 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.112 -13.802 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.775 -12.338 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.045 -11.516 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.317 -13.118 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.564 -11.397 6.930 1.00 0.00 H new ATOM 357 N SER A 26 -9.441 -14.336 2.644 1.00 0.00 N ATOM 358 CA SER A 26 -8.737 -14.266 1.369 1.00 0.00 C ATOM 359 C SER A 26 -8.496 -12.816 0.961 1.00 0.00 C ATOM 360 O SER A 26 -8.861 -12.398 -0.139 1.00 0.00 O ATOM 361 CB SER A 26 -9.536 -14.987 0.281 1.00 0.00 C ATOM 362 OG SER A 26 -10.882 -14.547 0.260 1.00 0.00 O ATOM 0 H SER A 26 -9.141 -15.100 3.250 1.00 0.00 H new ATOM 0 HA SER A 26 -7.772 -14.758 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.076 -14.808 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.505 -16.063 0.455 1.00 0.00 H new ATOM 0 HG SER A 26 -10.906 -13.567 0.259 1.00 0.00 H new ATOM 368 N THR A 27 -7.876 -12.051 1.854 1.00 0.00 N ATOM 369 CA THR A 27 -7.585 -10.648 1.590 1.00 0.00 C ATOM 370 C THR A 27 -6.174 -10.285 2.036 1.00 0.00 C ATOM 371 O THR A 27 -5.613 -10.917 2.932 1.00 0.00 O ATOM 372 CB THR A 27 -8.590 -9.722 2.301 1.00 0.00 C ATOM 373 OG1 THR A 27 -9.930 -10.132 2.004 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.390 -8.276 1.874 1.00 0.00 C ATOM 0 H THR A 27 -7.565 -12.381 2.768 1.00 0.00 H new ATOM 0 HA THR A 27 -7.670 -10.506 0.513 1.00 0.00 H new ATOM 0 HB THR A 27 -8.419 -9.794 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.114 -10.990 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.111 -7.641 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.379 -7.958 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.536 -8.191 0.797 1.00 0.00 H new ATOM 382 N LEU A 28 -5.604 -9.263 1.406 1.00 0.00 N ATOM 383 CA LEU A 28 -4.256 -8.815 1.739 1.00 0.00 C ATOM 384 C LEU A 28 -4.297 -7.644 2.716 1.00 0.00 C ATOM 385 O LEU A 28 -5.048 -6.687 2.524 1.00 0.00 O ATOM 386 CB LEU A 28 -3.505 -8.409 0.470 1.00 0.00 C ATOM 387 CG LEU A 28 -2.030 -8.046 0.650 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.209 -9.288 0.961 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.497 -7.349 -0.593 1.00 0.00 C ATOM 0 H LEU A 28 -6.054 -8.729 0.662 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.731 -9.643 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.572 -9.228 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.017 -7.555 0.026 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.944 -7.359 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.162 -9.010 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.575 -9.745 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.300 -9.999 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.446 -7.098 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.596 -8.012 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.067 -6.437 -0.771 1.00 0.00 H new ATOM 401 N THR A 29 -3.484 -7.726 3.765 1.00 0.00 N ATOM 402 CA THR A 29 -3.426 -6.674 4.771 1.00 0.00 C ATOM 403 C THR A 29 -2.102 -5.922 4.705 1.00 0.00 C ATOM 404 O THR A 29 -1.037 -6.498 4.928 1.00 0.00 O ATOM 405 CB THR A 29 -3.610 -7.244 6.191 1.00 0.00 C ATOM 406 OG1 THR A 29 -4.798 -8.041 6.249 1.00 0.00 O ATOM 407 CG2 THR A 29 -3.694 -6.124 7.216 1.00 0.00 C ATOM 0 H THR A 29 -2.857 -8.511 3.939 1.00 0.00 H new ATOM 0 HA THR A 29 -4.243 -5.985 4.555 1.00 0.00 H new ATOM 0 HB THR A 29 -2.745 -7.865 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.907 -8.401 7.154 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.824 -6.550 8.211 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.776 -5.537 7.190 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.543 -5.481 6.983 1.00 0.00 H new ATOM 415 N VAL A 30 -2.175 -4.631 4.398 1.00 0.00 N ATOM 416 CA VAL A 30 -0.982 -3.799 4.304 1.00 0.00 C ATOM 417 C VAL A 30 -1.077 -2.594 5.233 1.00 0.00 C ATOM 418 O VAL A 30 -1.857 -1.671 4.994 1.00 0.00 O ATOM 419 CB VAL A 30 -0.753 -3.305 2.863 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.568 -2.558 2.757 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.795 -4.472 1.888 1.00 0.00 C ATOM 0 H VAL A 30 -3.048 -4.139 4.210 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.139 -4.421 4.605 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.555 -2.614 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.712 -2.217 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.555 -1.698 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.385 -3.223 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.631 -4.105 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.015 -5.189 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.769 -4.959 1.945 1.00 0.00 H new ATOM 431 N LYS A 31 -0.279 -2.607 6.295 1.00 0.00 N ATOM 432 CA LYS A 31 -0.271 -1.515 7.261 1.00 0.00 C ATOM 433 C LYS A 31 1.012 -0.698 7.147 1.00 0.00 C ATOM 434 O LYS A 31 2.112 -1.250 7.133 1.00 0.00 O ATOM 435 CB LYS A 31 -0.414 -2.064 8.683 1.00 0.00 C ATOM 436 CG LYS A 31 -0.121 -1.037 9.763 1.00 0.00 C ATOM 437 CD LYS A 31 -0.511 -1.549 11.139 1.00 0.00 C ATOM 438 CE LYS A 31 -2.000 -1.376 11.396 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.458 -2.175 12.567 1.00 0.00 N ATOM 0 H LYS A 31 0.372 -3.363 6.509 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.117 -0.863 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.428 -2.442 8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.261 -2.911 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.941 -0.790 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.665 -0.117 9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.246 -2.603 11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.056 -1.014 11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.219 -0.322 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.559 -1.677 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.478 -2.030 12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.273 -3.183 12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.943 -1.870 13.418 1.00 0.00 H new ATOM 453 N ILE A 32 0.863 0.620 7.068 1.00 0.00 N ATOM 454 CA ILE A 32 2.010 1.513 6.958 1.00 0.00 C ATOM 455 C ILE A 32 2.287 2.216 8.283 1.00 0.00 C ATOM 456 O ILE A 32 1.782 3.310 8.535 1.00 0.00 O ATOM 457 CB ILE A 32 1.795 2.573 5.862 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.293 1.914 4.576 1.00 0.00 C ATOM 459 CG2 ILE A 32 3.085 3.337 5.604 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.335 1.060 3.889 1.00 0.00 C ATOM 0 H ILE A 32 -0.041 1.093 7.078 1.00 0.00 H new ATOM 0 HA ILE A 32 2.867 0.895 6.691 1.00 0.00 H new ATOM 0 HB ILE A 32 1.039 3.280 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.425 1.297 4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.958 2.689 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.917 4.083 4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.403 3.834 6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.860 2.643 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.910 0.624 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.194 1.676 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.653 0.263 4.561 1.00 0.00 H new ATOM 472 N MET A 33 3.096 1.582 9.125 1.00 0.00 N ATOM 473 CA MET A 33 3.444 2.148 10.423 1.00 0.00 C ATOM 474 C MET A 33 3.660 3.655 10.318 1.00 0.00 C ATOM 475 O MET A 33 2.814 4.445 10.737 1.00 0.00 O ATOM 476 CB MET A 33 4.704 1.478 10.975 1.00 0.00 C ATOM 477 CG MET A 33 4.536 -0.010 11.235 1.00 0.00 C ATOM 478 SD MET A 33 3.950 -0.362 12.903 1.00 0.00 S ATOM 479 CE MET A 33 3.914 -2.153 12.879 1.00 0.00 C ATOM 0 H MET A 33 3.523 0.676 8.932 1.00 0.00 H new ATOM 0 HA MET A 33 2.615 1.964 11.106 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.522 1.625 10.270 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.991 1.971 11.904 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.833 -0.424 10.512 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.490 -0.513 11.076 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.571 -2.523 13.845 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.234 -2.493 12.098 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.915 -2.534 12.680 1.00 0.00 H new ATOM 489 N LYS A 34 4.799 4.047 9.757 1.00 0.00 N ATOM 490 CA LYS A 34 5.127 5.459 9.596 1.00 0.00 C ATOM 491 C LYS A 34 6.423 5.630 8.810 1.00 0.00 C ATOM 492 O LYS A 34 7.063 4.651 8.429 1.00 0.00 O ATOM 493 CB LYS A 34 5.254 6.133 10.964 1.00 0.00 C ATOM 494 CG LYS A 34 6.506 5.734 11.725 1.00 0.00 C ATOM 495 CD LYS A 34 6.425 4.300 12.220 1.00 0.00 C ATOM 496 CE LYS A 34 7.405 4.045 13.354 1.00 0.00 C ATOM 497 NZ LYS A 34 6.827 4.405 14.679 1.00 0.00 N ATOM 0 H LYS A 34 5.511 3.406 9.406 1.00 0.00 H new ATOM 0 HA LYS A 34 4.320 5.933 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.251 7.215 10.828 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.379 5.884 11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.377 5.848 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.647 6.405 12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.411 4.088 12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.635 3.617 11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.692 2.993 13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.314 4.623 13.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.526 4.217 15.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.577 5.414 14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.974 3.836 14.852 1.00 0.00 H new ATOM 511 N ALA A 35 6.805 6.881 8.574 1.00 0.00 N ATOM 512 CA ALA A 35 8.026 7.180 7.837 1.00 0.00 C ATOM 513 C ALA A 35 9.035 7.909 8.718 1.00 0.00 C ATOM 514 O ALA A 35 8.658 8.630 9.641 1.00 0.00 O ATOM 515 CB ALA A 35 7.708 8.008 6.600 1.00 0.00 C ATOM 0 H ALA A 35 6.286 7.703 8.883 1.00 0.00 H new ATOM 0 HA ALA A 35 8.471 6.236 7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.630 8.224 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.030 7.451 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.236 8.944 6.900 1.00 0.00 H new ATOM 521 N GLN A 36 10.317 7.715 8.428 1.00 0.00 N ATOM 522 CA GLN A 36 11.379 8.353 9.196 1.00 0.00 C ATOM 523 C GLN A 36 12.533 8.769 8.289 1.00 0.00 C ATOM 524 O GLN A 36 12.801 8.124 7.276 1.00 0.00 O ATOM 525 CB GLN A 36 11.887 7.409 10.287 1.00 0.00 C ATOM 526 CG GLN A 36 10.832 7.051 11.321 1.00 0.00 C ATOM 527 CD GLN A 36 10.809 8.016 12.490 1.00 0.00 C ATOM 528 OE1 GLN A 36 11.808 8.672 12.788 1.00 0.00 O ATOM 529 NE2 GLN A 36 9.666 8.108 13.160 1.00 0.00 N ATOM 0 H GLN A 36 10.645 7.121 7.667 1.00 0.00 H new ATOM 0 HA GLN A 36 10.967 9.248 9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.254 6.494 9.822 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.735 7.872 10.791 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.851 7.040 10.845 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.019 6.043 11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.863 7.546 12.878 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.591 8.741 13.956 1.00 0.00 H new ATOM 538 N GLU A 37 13.211 9.850 8.661 1.00 0.00 N ATOM 539 CA GLU A 37 14.336 10.351 7.879 1.00 0.00 C ATOM 540 C GLU A 37 13.884 10.767 6.482 1.00 0.00 C ATOM 541 O GLU A 37 14.553 10.477 5.489 1.00 0.00 O ATOM 542 CB GLU A 37 15.430 9.287 7.778 1.00 0.00 C ATOM 543 CG GLU A 37 16.296 9.184 9.023 1.00 0.00 C ATOM 544 CD GLU A 37 17.245 8.003 8.976 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.234 8.065 8.216 1.00 0.00 O ATOM 546 OE2 GLU A 37 16.999 7.016 9.701 1.00 0.00 O ATOM 0 H GLU A 37 13.002 10.395 9.497 1.00 0.00 H new ATOM 0 HA GLU A 37 14.738 11.227 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.967 8.319 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.065 9.511 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.871 10.103 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.655 9.096 9.901 1.00 0.00 H new ATOM 553 N LEU A 38 12.745 11.447 6.412 1.00 0.00 N ATOM 554 CA LEU A 38 12.203 11.903 5.137 1.00 0.00 C ATOM 555 C LEU A 38 12.748 13.281 4.775 1.00 0.00 C ATOM 556 O LEU A 38 12.595 14.251 5.518 1.00 0.00 O ATOM 557 CB LEU A 38 10.675 11.946 5.196 1.00 0.00 C ATOM 558 CG LEU A 38 9.964 10.593 5.156 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.472 10.780 4.929 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.563 9.707 4.073 1.00 0.00 C ATOM 0 H LEU A 38 12.179 11.695 7.223 1.00 0.00 H new ATOM 0 HA LEU A 38 12.511 11.197 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.381 12.462 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.316 12.548 4.361 1.00 0.00 H new ATOM 0 HG LEU A 38 10.105 10.102 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.983 9.806 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.052 11.376 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.310 11.292 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.045 8.748 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.453 10.193 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.621 9.544 4.280 1.00 0.00 H new ATOM 572 N PRO A 39 13.398 13.372 3.605 1.00 0.00 N ATOM 573 CA PRO A 39 13.976 14.627 3.116 1.00 0.00 C ATOM 574 C PRO A 39 12.909 15.639 2.714 1.00 0.00 C ATOM 575 O PRO A 39 11.751 15.282 2.499 1.00 0.00 O ATOM 576 CB PRO A 39 14.788 14.191 1.894 1.00 0.00 C ATOM 577 CG PRO A 39 14.131 12.937 1.431 1.00 0.00 C ATOM 578 CD PRO A 39 13.618 12.256 2.670 1.00 0.00 C ATOM 0 HA PRO A 39 14.568 15.129 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.775 14.955 1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.832 14.018 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.317 13.155 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.838 12.300 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.697 11.707 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.339 11.539 3.062 1.00 0.00 H new ATOM 586 N ALA A 40 13.306 16.903 2.613 1.00 0.00 N ATOM 587 CA ALA A 40 12.384 17.966 2.233 1.00 0.00 C ATOM 588 C ALA A 40 12.696 18.491 0.836 1.00 0.00 C ATOM 589 O ALA A 40 13.860 18.593 0.446 1.00 0.00 O ATOM 590 CB ALA A 40 12.437 19.098 3.249 1.00 0.00 C ATOM 0 H ALA A 40 14.261 17.216 2.789 1.00 0.00 H new ATOM 0 HA ALA A 40 11.376 17.551 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.744 19.885 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.157 18.718 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.448 19.502 3.291 1.00 0.00 H new ATOM 668 N THR A 46 9.885 21.783 4.656 1.00 0.00 N ATOM 669 CA THR A 46 8.853 20.779 4.878 1.00 0.00 C ATOM 670 C THR A 46 8.136 20.430 3.579 1.00 0.00 C ATOM 671 O THR A 46 8.258 21.141 2.582 1.00 0.00 O ATOM 672 CB THR A 46 7.816 21.258 5.911 1.00 0.00 C ATOM 673 OG1 THR A 46 7.045 20.148 6.383 1.00 0.00 O ATOM 674 CG2 THR A 46 6.891 22.303 5.305 1.00 0.00 C ATOM 0 HA THR A 46 9.354 19.891 5.263 1.00 0.00 H new ATOM 0 HB THR A 46 8.351 21.710 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.896 20.240 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.167 22.626 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.478 23.160 4.974 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.364 21.873 4.453 1.00 0.00 H new ATOM 682 N SER A 47 7.387 19.332 3.598 1.00 0.00 N ATOM 683 CA SER A 47 6.652 18.887 2.420 1.00 0.00 C ATOM 684 C SER A 47 5.475 18.001 2.816 1.00 0.00 C ATOM 685 O SER A 47 5.311 17.655 3.986 1.00 0.00 O ATOM 686 CB SER A 47 7.581 18.127 1.471 1.00 0.00 C ATOM 687 OG SER A 47 8.254 19.015 0.596 1.00 0.00 O ATOM 0 H SER A 47 7.273 18.734 4.417 1.00 0.00 H new ATOM 0 HA SER A 47 6.264 19.769 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.310 17.559 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.003 17.408 0.890 1.00 0.00 H new ATOM 0 HG SER A 47 8.379 19.880 1.040 1.00 0.00 H new ATOM 693 N ASP A 48 4.659 17.639 1.833 1.00 0.00 N ATOM 694 CA ASP A 48 3.497 16.792 2.077 1.00 0.00 C ATOM 695 C ASP A 48 3.724 15.386 1.531 1.00 0.00 C ATOM 696 O ASP A 48 3.274 15.037 0.440 1.00 0.00 O ATOM 697 CB ASP A 48 2.249 17.405 1.438 1.00 0.00 C ATOM 698 CG ASP A 48 2.339 17.455 -0.074 1.00 0.00 C ATOM 699 OD1 ASP A 48 3.445 17.710 -0.595 1.00 0.00 O ATOM 700 OD2 ASP A 48 1.303 17.240 -0.737 1.00 0.00 O ATOM 0 H ASP A 48 4.780 17.919 0.860 1.00 0.00 H new ATOM 0 HA ASP A 48 3.348 16.724 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.373 16.824 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.105 18.414 1.824 1.00 0.00 H new ATOM 705 N PRO A 49 4.441 14.558 2.307 1.00 0.00 N ATOM 706 CA PRO A 49 4.745 13.177 1.921 1.00 0.00 C ATOM 707 C PRO A 49 3.509 12.284 1.941 1.00 0.00 C ATOM 708 O PRO A 49 2.542 12.561 2.651 1.00 0.00 O ATOM 709 CB PRO A 49 5.749 12.725 2.985 1.00 0.00 C ATOM 710 CG PRO A 49 5.458 13.581 4.168 1.00 0.00 C ATOM 711 CD PRO A 49 5.008 14.907 3.620 1.00 0.00 C ATOM 0 HA PRO A 49 5.125 13.113 0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.626 11.668 3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.775 12.858 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.684 13.134 4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.344 13.697 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.267 15.378 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.839 15.606 3.526 1.00 0.00 H new ATOM 719 N PHE A 50 3.548 11.211 1.158 1.00 0.00 N ATOM 720 CA PHE A 50 2.430 10.277 1.085 1.00 0.00 C ATOM 721 C PHE A 50 2.879 8.936 0.513 1.00 0.00 C ATOM 722 O PHE A 50 3.660 8.883 -0.437 1.00 0.00 O ATOM 723 CB PHE A 50 1.306 10.860 0.227 1.00 0.00 C ATOM 724 CG PHE A 50 1.592 10.817 -1.247 1.00 0.00 C ATOM 725 CD1 PHE A 50 2.442 11.745 -1.828 1.00 0.00 C ATOM 726 CD2 PHE A 50 1.013 9.849 -2.050 1.00 0.00 C ATOM 727 CE1 PHE A 50 2.707 11.708 -3.184 1.00 0.00 C ATOM 728 CE2 PHE A 50 1.274 9.806 -3.407 1.00 0.00 C ATOM 729 CZ PHE A 50 2.123 10.737 -3.974 1.00 0.00 C ATOM 0 H PHE A 50 4.341 10.967 0.565 1.00 0.00 H new ATOM 0 HA PHE A 50 2.058 10.114 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.386 10.311 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.131 11.894 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.902 12.505 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.349 9.119 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.370 12.437 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.815 9.046 -4.023 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.330 10.706 -5.034 1.00 0.00 H new ATOM 739 N VAL A 51 2.380 7.852 1.100 1.00 0.00 N ATOM 740 CA VAL A 51 2.728 6.510 0.649 1.00 0.00 C ATOM 741 C VAL A 51 1.786 6.039 -0.453 1.00 0.00 C ATOM 742 O VAL A 51 0.608 6.396 -0.474 1.00 0.00 O ATOM 743 CB VAL A 51 2.687 5.500 1.811 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.134 4.124 1.339 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.550 5.982 2.967 1.00 0.00 C ATOM 0 H VAL A 51 1.734 7.878 1.889 1.00 0.00 H new ATOM 0 HA VAL A 51 3.744 6.561 0.257 1.00 0.00 H new ATOM 0 HB VAL A 51 1.659 5.421 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.099 3.424 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.471 3.778 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.154 4.183 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.509 5.256 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.581 6.092 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.179 6.944 3.321 1.00 0.00 H new ATOM 755 N LYS A 52 2.312 5.234 -1.370 1.00 0.00 N ATOM 756 CA LYS A 52 1.519 4.710 -2.476 1.00 0.00 C ATOM 757 C LYS A 52 1.575 3.187 -2.512 1.00 0.00 C ATOM 758 O LYS A 52 2.621 2.588 -2.259 1.00 0.00 O ATOM 759 CB LYS A 52 2.020 5.282 -3.804 1.00 0.00 C ATOM 760 CG LYS A 52 1.716 6.759 -3.984 1.00 0.00 C ATOM 761 CD LYS A 52 2.777 7.448 -4.826 1.00 0.00 C ATOM 762 CE LYS A 52 2.422 7.418 -6.304 1.00 0.00 C ATOM 763 NZ LYS A 52 1.085 8.020 -6.566 1.00 0.00 N ATOM 0 H LYS A 52 3.286 4.930 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 52 0.483 5.013 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.097 5.131 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.568 4.724 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.741 6.876 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.655 7.241 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.888 8.482 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.739 6.959 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.181 7.958 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.432 6.387 -6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.017 8.292 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.342 7.326 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.961 8.863 -5.970 1.00 0.00 H new ATOM 777 N ILE A 53 0.444 2.565 -2.829 1.00 0.00 N ATOM 778 CA ILE A 53 0.366 1.111 -2.901 1.00 0.00 C ATOM 779 C ILE A 53 -0.011 0.650 -4.305 1.00 0.00 C ATOM 780 O ILE A 53 -1.121 0.899 -4.775 1.00 0.00 O ATOM 781 CB ILE A 53 -0.658 0.552 -1.897 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.347 1.053 -0.485 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.663 -0.969 -1.937 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.570 1.173 0.397 1.00 0.00 C ATOM 0 H ILE A 53 -0.431 3.045 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 53 1.355 0.729 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.650 0.906 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.364 0.373 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.139 2.026 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.392 -1.349 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.928 -1.306 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.328 -1.343 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.274 1.533 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.273 1.875 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.045 0.197 0.495 1.00 0.00 H new ATOM 796 N TYR A 54 0.921 -0.025 -4.970 1.00 0.00 N ATOM 797 CA TYR A 54 0.687 -0.522 -6.321 1.00 0.00 C ATOM 798 C TYR A 54 0.951 -2.022 -6.403 1.00 0.00 C ATOM 799 O TYR A 54 2.068 -2.482 -6.162 1.00 0.00 O ATOM 800 CB TYR A 54 1.577 0.219 -7.320 1.00 0.00 C ATOM 801 CG TYR A 54 1.073 1.602 -7.670 1.00 0.00 C ATOM 802 CD1 TYR A 54 1.399 2.701 -6.885 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.273 1.808 -8.787 1.00 0.00 C ATOM 804 CE1 TYR A 54 0.940 3.965 -7.201 1.00 0.00 C ATOM 805 CE2 TYR A 54 -0.189 3.069 -9.111 1.00 0.00 C ATOM 806 CZ TYR A 54 0.147 4.144 -8.315 1.00 0.00 C ATOM 807 OH TYR A 54 -0.311 5.402 -8.633 1.00 0.00 O ATOM 0 H TYR A 54 1.845 -0.240 -4.595 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.358 -0.341 -6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.582 0.301 -6.907 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.655 -0.372 -8.233 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.022 2.565 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.008 0.968 -9.412 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.201 4.809 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.810 3.212 -9.983 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.645 5.405 -9.554 1.00 0.00 H new ATOM 817 N LEU A 55 -0.085 -2.780 -6.745 1.00 0.00 N ATOM 818 CA LEU A 55 0.033 -4.230 -6.861 1.00 0.00 C ATOM 819 C LEU A 55 0.481 -4.629 -8.263 1.00 0.00 C ATOM 820 O LEU A 55 -0.342 -4.959 -9.119 1.00 0.00 O ATOM 821 CB LEU A 55 -1.302 -4.898 -6.530 1.00 0.00 C ATOM 822 CG LEU A 55 -1.630 -5.043 -5.043 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.983 -5.712 -4.857 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.540 -5.832 -4.331 1.00 0.00 C ATOM 0 H LEU A 55 -1.016 -2.415 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 55 0.787 -4.567 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.099 -4.325 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.311 -5.890 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.677 -4.047 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.199 -5.806 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.756 -5.108 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.965 -6.702 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.790 -5.925 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.461 -6.825 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.412 -5.312 -4.434 1.00 0.00 H new ATOM 836 N LEU A 56 1.789 -4.601 -8.492 1.00 0.00 N ATOM 837 CA LEU A 56 2.347 -4.962 -9.790 1.00 0.00 C ATOM 838 C LEU A 56 2.203 -6.459 -10.047 1.00 0.00 C ATOM 839 O LEU A 56 2.192 -7.274 -9.124 1.00 0.00 O ATOM 840 CB LEU A 56 3.821 -4.560 -9.864 1.00 0.00 C ATOM 841 CG LEU A 56 4.154 -3.142 -9.398 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.639 -3.015 -9.093 1.00 0.00 C ATOM 843 CD2 LEU A 56 3.734 -2.124 -10.447 1.00 0.00 C ATOM 0 H LEU A 56 2.483 -4.332 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 56 1.792 -4.425 -10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.399 -5.263 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.156 -4.670 -10.896 1.00 0.00 H new ATOM 0 HG LEU A 56 3.598 -2.941 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.857 -1.999 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.910 -3.718 -8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.215 -3.236 -9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.978 -1.121 -10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.262 -2.323 -11.379 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.660 -2.198 -10.616 1.00 0.00 H new ATOM 855 N PRO A 57 2.093 -6.832 -11.331 1.00 0.00 N ATOM 856 CA PRO A 57 2.105 -5.871 -12.438 1.00 0.00 C ATOM 857 C PRO A 57 0.844 -5.014 -12.476 1.00 0.00 C ATOM 858 O PRO A 57 0.890 -3.840 -12.841 1.00 0.00 O ATOM 859 CB PRO A 57 2.184 -6.761 -13.680 1.00 0.00 C ATOM 860 CG PRO A 57 1.592 -8.060 -13.253 1.00 0.00 C ATOM 861 CD PRO A 57 1.947 -8.220 -11.800 1.00 0.00 C ATOM 0 HA PRO A 57 2.928 -5.162 -12.352 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.630 -6.328 -14.513 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.214 -6.886 -14.013 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.511 -8.061 -13.393 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.991 -8.884 -13.845 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.168 -8.750 -11.252 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.869 -8.787 -11.671 1.00 0.00 H new ATOM 869 N ASP A 58 -0.281 -5.610 -12.095 1.00 0.00 N ATOM 870 CA ASP A 58 -1.556 -4.900 -12.085 1.00 0.00 C ATOM 871 C ASP A 58 -1.373 -3.462 -11.612 1.00 0.00 C ATOM 872 O ASP A 58 -0.568 -3.186 -10.721 1.00 0.00 O ATOM 873 CB ASP A 58 -2.558 -5.623 -11.183 1.00 0.00 C ATOM 874 CG ASP A 58 -3.995 -5.362 -11.590 1.00 0.00 C ATOM 875 OD1 ASP A 58 -4.489 -4.243 -11.340 1.00 0.00 O ATOM 876 OD2 ASP A 58 -4.625 -6.278 -12.160 1.00 0.00 O ATOM 0 H ASP A 58 -0.336 -6.582 -11.789 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.942 -4.882 -13.104 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.363 -6.695 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.411 -5.302 -10.152 1.00 0.00 H new ATOM 881 N LYS A 59 -2.124 -2.546 -12.214 1.00 0.00 N ATOM 882 CA LYS A 59 -2.046 -1.135 -11.856 1.00 0.00 C ATOM 883 C LYS A 59 -3.438 -0.553 -11.632 1.00 0.00 C ATOM 884 O LYS A 59 -3.634 0.298 -10.764 1.00 0.00 O ATOM 885 CB LYS A 59 -1.323 -0.348 -12.952 1.00 0.00 C ATOM 886 CG LYS A 59 0.181 -0.558 -12.960 1.00 0.00 C ATOM 887 CD LYS A 59 0.911 0.662 -13.494 1.00 0.00 C ATOM 888 CE LYS A 59 1.175 1.679 -12.395 1.00 0.00 C ATOM 889 NZ LYS A 59 1.423 3.041 -12.946 1.00 0.00 N ATOM 0 H LYS A 59 -2.795 -2.756 -12.953 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.483 -1.053 -10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.727 -0.637 -13.922 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.532 0.714 -12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.524 -0.775 -11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.425 -1.426 -13.572 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.856 0.355 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.320 1.124 -14.284 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.322 1.711 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.037 1.363 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.599 3.705 -12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.253 3.016 -13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.591 3.354 -13.486 1.00 0.00 H new ATOM 903 N LYS A 60 -4.403 -1.018 -12.419 1.00 0.00 N ATOM 904 CA LYS A 60 -5.778 -0.547 -12.305 1.00 0.00 C ATOM 905 C LYS A 60 -6.174 -0.372 -10.842 1.00 0.00 C ATOM 906 O LYS A 60 -6.389 0.748 -10.376 1.00 0.00 O ATOM 907 CB LYS A 60 -6.733 -1.527 -12.989 1.00 0.00 C ATOM 908 CG LYS A 60 -8.013 -0.879 -13.490 1.00 0.00 C ATOM 909 CD LYS A 60 -9.037 -1.920 -13.909 1.00 0.00 C ATOM 910 CE LYS A 60 -8.873 -2.306 -15.371 1.00 0.00 C ATOM 911 NZ LYS A 60 -9.760 -3.442 -15.748 1.00 0.00 N ATOM 0 H LYS A 60 -4.257 -1.721 -13.143 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.846 0.422 -12.800 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.220 -1.995 -13.829 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.988 -2.322 -12.288 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.433 -0.248 -12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.786 -0.229 -14.335 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.933 -2.807 -13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.042 -1.530 -13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.097 -1.445 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.835 -2.578 -15.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.618 -3.675 -16.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.529 -4.271 -15.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.753 -3.174 -15.591 1.00 0.00 H new ATOM 925 N HIS A 61 -6.267 -1.485 -10.122 1.00 0.00 N ATOM 926 CA HIS A 61 -6.635 -1.454 -8.711 1.00 0.00 C ATOM 927 C HIS A 61 -5.452 -1.022 -7.850 1.00 0.00 C ATOM 928 O HIS A 61 -4.640 -1.848 -7.432 1.00 0.00 O ATOM 929 CB HIS A 61 -7.132 -2.829 -8.262 1.00 0.00 C ATOM 930 CG HIS A 61 -7.925 -2.793 -6.992 1.00 0.00 C ATOM 931 ND1 HIS A 61 -7.361 -2.547 -5.758 1.00 0.00 N ATOM 932 CD2 HIS A 61 -9.248 -2.972 -6.769 1.00 0.00 C ATOM 933 CE1 HIS A 61 -8.301 -2.578 -4.831 1.00 0.00 C ATOM 934 NE2 HIS A 61 -9.456 -2.834 -5.419 1.00 0.00 N ATOM 0 H HIS A 61 -6.093 -2.419 -10.492 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.437 -0.727 -8.586 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.746 -3.260 -9.052 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.276 -3.490 -8.128 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.000 -3.184 -7.514 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.151 -2.421 -3.773 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.356 -2.916 -4.947 1.00 0.00 H new ATOM 943 N LYS A 62 -5.359 0.277 -7.589 1.00 0.00 N ATOM 944 CA LYS A 62 -4.276 0.820 -6.778 1.00 0.00 C ATOM 945 C LYS A 62 -4.825 1.676 -5.641 1.00 0.00 C ATOM 946 O LYS A 62 -5.912 2.245 -5.747 1.00 0.00 O ATOM 947 CB LYS A 62 -3.330 1.652 -7.646 1.00 0.00 C ATOM 948 CG LYS A 62 -3.884 3.018 -8.014 1.00 0.00 C ATOM 949 CD LYS A 62 -3.292 3.527 -9.317 1.00 0.00 C ATOM 950 CE LYS A 62 -4.260 4.446 -10.047 1.00 0.00 C ATOM 951 NZ LYS A 62 -5.310 3.680 -10.774 1.00 0.00 N ATOM 0 H LYS A 62 -6.022 0.974 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.724 -0.015 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.386 1.783 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.110 1.100 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.969 2.959 -8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.669 3.727 -7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.365 4.062 -9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.038 2.682 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.732 5.119 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.709 5.067 -10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.225 4.164 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.060 3.618 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.379 2.722 -10.375 1.00 0.00 H new ATOM 965 N LEU A 63 -4.066 1.765 -4.554 1.00 0.00 N ATOM 966 CA LEU A 63 -4.475 2.553 -3.397 1.00 0.00 C ATOM 967 C LEU A 63 -3.316 3.397 -2.875 1.00 0.00 C ATOM 968 O LEU A 63 -2.171 3.216 -3.286 1.00 0.00 O ATOM 969 CB LEU A 63 -4.993 1.636 -2.288 1.00 0.00 C ATOM 970 CG LEU A 63 -6.496 1.353 -2.298 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.808 0.161 -3.189 1.00 0.00 C ATOM 972 CD2 LEU A 63 -7.003 1.112 -0.884 1.00 0.00 C ATOM 0 H LEU A 63 -3.164 1.301 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.276 3.223 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.464 0.685 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.733 2.079 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.008 2.226 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.882 -0.026 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.481 0.372 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.285 -0.719 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.074 0.912 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.485 0.255 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.814 1.995 -0.274 1.00 0.00 H new ATOM 984 N GLU A 64 -3.623 4.317 -1.966 1.00 0.00 N ATOM 985 CA GLU A 64 -2.606 5.187 -1.388 1.00 0.00 C ATOM 986 C GLU A 64 -2.968 5.569 0.045 1.00 0.00 C ATOM 987 O GLU A 64 -4.080 5.313 0.506 1.00 0.00 O ATOM 988 CB GLU A 64 -2.440 6.450 -2.237 1.00 0.00 C ATOM 989 CG GLU A 64 -1.374 6.324 -3.312 1.00 0.00 C ATOM 990 CD GLU A 64 -1.696 7.137 -4.551 1.00 0.00 C ATOM 991 OE1 GLU A 64 -1.608 8.381 -4.483 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.037 6.530 -5.588 1.00 0.00 O ATOM 0 H GLU A 64 -4.567 4.479 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.663 4.641 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.393 6.689 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.189 7.286 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.415 6.649 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.264 5.275 -3.588 1.00 0.00 H new ATOM 999 N THR A 65 -2.018 6.182 0.745 1.00 0.00 N ATOM 1000 CA THR A 65 -2.234 6.598 2.125 1.00 0.00 C ATOM 1001 C THR A 65 -2.614 8.072 2.203 1.00 0.00 C ATOM 1002 O THR A 65 -2.445 8.819 1.239 1.00 0.00 O ATOM 1003 CB THR A 65 -0.981 6.356 2.988 1.00 0.00 C ATOM 1004 OG1 THR A 65 0.125 7.099 2.464 1.00 0.00 O ATOM 1005 CG2 THR A 65 -0.630 4.876 3.029 1.00 0.00 C ATOM 0 H THR A 65 -1.092 6.401 0.378 1.00 0.00 H new ATOM 0 HA THR A 65 -3.055 5.994 2.512 1.00 0.00 H new ATOM 0 HB THR A 65 -1.195 6.691 4.003 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.331 7.846 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.258 4.730 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.463 4.316 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.433 4.521 2.018 1.00 0.00 H new ATOM 1013 N LYS A 66 -3.127 8.486 3.356 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.529 9.873 3.561 1.00 0.00 C ATOM 1015 C LYS A 66 -2.344 10.816 3.377 1.00 0.00 C ATOM 1016 O LYS A 66 -1.189 10.391 3.409 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.124 10.051 4.960 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.609 9.739 5.034 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.452 10.974 4.765 1.00 0.00 C ATOM 1020 CE LYS A 66 -6.727 11.751 6.044 1.00 0.00 C ATOM 1021 NZ LYS A 66 -5.657 12.745 6.331 1.00 0.00 N ATOM 0 H LYS A 66 -3.275 7.881 4.164 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.286 10.120 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.590 9.405 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.960 11.078 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.856 8.964 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.849 9.341 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.939 11.617 4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.396 10.679 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.685 12.264 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.811 11.056 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.044 13.513 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.879 12.280 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.299 13.138 5.437 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.639 12.098 3.185 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.597 13.101 2.999 1.00 0.00 C ATOM 1037 C VAL A 67 -1.432 13.960 4.247 1.00 0.00 C ATOM 1038 O VAL A 67 -2.412 14.435 4.822 1.00 0.00 O ATOM 1039 CB VAL A 67 -1.907 14.015 1.798 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -0.832 15.080 1.645 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -2.040 13.193 0.524 1.00 0.00 C ATOM 0 H VAL A 67 -3.590 12.466 3.154 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.669 12.562 2.807 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.857 14.517 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.068 15.716 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.790 15.687 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.134 14.601 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.259 13.854 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.107 12.663 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.850 12.472 0.639 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.185 14.157 4.662 1.00 0.00 N ATOM 1052 CA LYS A 68 0.111 14.961 5.842 1.00 0.00 C ATOM 1053 C LYS A 68 0.906 16.207 5.466 1.00 0.00 C ATOM 1054 O LYS A 68 2.017 16.113 4.946 1.00 0.00 O ATOM 1055 CB LYS A 68 0.894 14.133 6.865 1.00 0.00 C ATOM 1056 CG LYS A 68 0.346 12.730 7.058 1.00 0.00 C ATOM 1057 CD LYS A 68 -0.781 12.706 8.077 1.00 0.00 C ATOM 1058 CE LYS A 68 -1.454 11.343 8.133 1.00 0.00 C ATOM 1059 NZ LYS A 68 -0.543 10.297 8.674 1.00 0.00 N ATOM 0 H LYS A 68 0.637 13.771 4.198 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.835 15.275 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.934 14.067 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.886 14.652 7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.016 12.346 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.147 12.067 7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.388 12.959 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.519 13.467 7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.347 11.404 8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.781 11.058 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.410 9.550 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.377 10.723 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.959 9.886 9.534 1.00 0.00 H new ATOM 1073 N ARG A 69 0.329 17.374 5.734 1.00 0.00 N ATOM 1074 CA ARG A 69 0.984 18.639 5.424 1.00 0.00 C ATOM 1075 C ARG A 69 1.893 19.076 6.569 1.00 0.00 C ATOM 1076 O ARG A 69 1.581 18.862 7.740 1.00 0.00 O ATOM 1077 CB ARG A 69 -0.059 19.723 5.145 1.00 0.00 C ATOM 1078 CG ARG A 69 -1.049 19.349 4.054 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.499 19.661 2.671 1.00 0.00 C ATOM 1080 NE ARG A 69 -1.556 19.742 1.666 1.00 0.00 N ATOM 1081 CZ ARG A 69 -1.450 20.442 0.543 1.00 0.00 C ATOM 1082 NH1 ARG A 69 -0.339 21.117 0.281 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -2.455 20.466 -0.323 1.00 0.00 N ATOM 0 H ARG A 69 -0.591 17.470 6.165 1.00 0.00 H new ATOM 0 HA ARG A 69 1.595 18.494 4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.606 19.934 6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.452 20.643 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.283 18.287 4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.982 19.891 4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.045 20.605 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.216 18.891 2.383 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.423 19.233 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.437 21.099 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.260 21.654 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.310 19.946 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.372 21.004 -1.185 1.00 0.00 H new ATOM 1097 N LYS A 70 3.020 19.689 6.222 1.00 0.00 N ATOM 1098 CA LYS A 70 3.975 20.157 7.219 1.00 0.00 C ATOM 1099 C LYS A 70 4.391 19.022 8.149 1.00 0.00 C ATOM 1100 O LYS A 70 4.299 19.142 9.369 1.00 0.00 O ATOM 1101 CB LYS A 70 3.372 21.303 8.034 1.00 0.00 C ATOM 1102 CG LYS A 70 3.545 22.666 7.388 1.00 0.00 C ATOM 1103 CD LYS A 70 2.730 23.731 8.104 1.00 0.00 C ATOM 1104 CE LYS A 70 3.484 24.301 9.296 1.00 0.00 C ATOM 1105 NZ LYS A 70 2.559 24.754 10.372 1.00 0.00 N ATOM 0 H LYS A 70 3.294 19.873 5.257 1.00 0.00 H new ATOM 0 HA LYS A 70 4.861 20.518 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.309 21.113 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.833 21.317 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.599 22.944 7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.241 22.615 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.487 24.534 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.785 23.303 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.161 23.544 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.100 25.139 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.111 25.136 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.930 25.494 10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.989 23.949 10.702 1.00 0.00 H new ATOM 1119 N ASN A 71 4.850 17.921 7.562 1.00 0.00 N ATOM 1120 CA ASN A 71 5.282 16.764 8.339 1.00 0.00 C ATOM 1121 C ASN A 71 6.164 15.844 7.500 1.00 0.00 C ATOM 1122 O ASN A 71 5.815 15.490 6.373 1.00 0.00 O ATOM 1123 CB ASN A 71 4.068 15.991 8.859 1.00 0.00 C ATOM 1124 CG ASN A 71 4.365 15.247 10.147 1.00 0.00 C ATOM 1125 OD1 ASN A 71 5.515 14.918 10.436 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.325 14.979 10.927 1.00 0.00 N ATOM 0 H ASN A 71 4.932 17.806 6.552 1.00 0.00 H new ATOM 0 HA ASN A 71 5.866 17.124 9.186 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.243 16.684 9.025 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.740 15.281 8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.462 14.481 11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.389 15.271 10.647 1.00 0.00 H new ATOM 1133 N LEU A 72 7.307 15.460 8.057 1.00 0.00 N ATOM 1134 CA LEU A 72 8.239 14.580 7.362 1.00 0.00 C ATOM 1135 C LEU A 72 8.285 13.205 8.021 1.00 0.00 C ATOM 1136 O LEU A 72 8.605 12.208 7.376 1.00 0.00 O ATOM 1137 CB LEU A 72 9.639 15.198 7.346 1.00 0.00 C ATOM 1138 CG LEU A 72 9.748 16.598 6.740 1.00 0.00 C ATOM 1139 CD1 LEU A 72 11.140 17.168 6.960 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.411 16.565 5.257 1.00 0.00 C ATOM 0 H LEU A 72 7.611 15.744 8.988 1.00 0.00 H new ATOM 0 HA LEU A 72 7.890 14.459 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.009 15.238 8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.302 14.532 6.794 1.00 0.00 H new ATOM 0 HG LEU A 72 9.029 17.247 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.199 18.164 6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.343 17.229 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.878 16.520 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.494 17.570 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.105 15.901 4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.393 16.200 5.123 1.00 0.00 H new ATOM 1152 N ASN A 73 7.962 13.161 9.309 1.00 0.00 N ATOM 1153 CA ASN A 73 7.965 11.908 10.056 1.00 0.00 C ATOM 1154 C ASN A 73 6.567 11.578 10.570 1.00 0.00 C ATOM 1155 O ASN A 73 6.378 11.196 11.725 1.00 0.00 O ATOM 1156 CB ASN A 73 8.945 11.991 11.227 1.00 0.00 C ATOM 1157 CG ASN A 73 10.275 12.599 10.826 1.00 0.00 C ATOM 1158 OD1 ASN A 73 10.901 12.169 9.857 1.00 0.00 O ATOM 1159 ND2 ASN A 73 10.714 13.606 11.573 1.00 0.00 N ATOM 0 H ASN A 73 7.695 13.978 9.858 1.00 0.00 H new ATOM 0 HA ASN A 73 8.282 11.112 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.503 12.586 12.026 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.112 10.992 11.629 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.603 14.055 11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.162 13.930 12.367 1.00 0.00 H new ATOM 1166 N PRO A 74 5.563 11.728 9.693 1.00 0.00 N ATOM 1167 CA PRO A 74 4.165 11.450 10.035 1.00 0.00 C ATOM 1168 C PRO A 74 3.902 9.961 10.232 1.00 0.00 C ATOM 1169 O PRO A 74 4.727 9.121 9.871 1.00 0.00 O ATOM 1170 CB PRO A 74 3.392 11.974 8.822 1.00 0.00 C ATOM 1171 CG PRO A 74 4.365 11.909 7.696 1.00 0.00 C ATOM 1172 CD PRO A 74 5.716 12.179 8.300 1.00 0.00 C ATOM 0 HA PRO A 74 3.875 11.917 10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.511 11.364 8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.043 12.994 8.985 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.341 10.931 7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.125 12.647 6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.504 11.630 7.784 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.976 13.236 8.246 1.00 0.00 H new ATOM 1180 N HIS A 75 2.746 9.640 10.807 1.00 0.00 N ATOM 1181 CA HIS A 75 2.374 8.251 11.051 1.00 0.00 C ATOM 1182 C HIS A 75 0.993 7.950 10.475 1.00 0.00 C ATOM 1183 O HIS A 75 -0.009 8.513 10.915 1.00 0.00 O ATOM 1184 CB HIS A 75 2.390 7.953 12.550 1.00 0.00 C ATOM 1185 CG HIS A 75 1.601 8.931 13.364 1.00 0.00 C ATOM 1186 ND1 HIS A 75 0.264 8.761 13.656 1.00 0.00 N ATOM 1187 CD2 HIS A 75 1.968 10.094 13.951 1.00 0.00 C ATOM 1188 CE1 HIS A 75 -0.158 9.778 14.386 1.00 0.00 C ATOM 1189 NE2 HIS A 75 0.857 10.602 14.579 1.00 0.00 N ATOM 0 H HIS A 75 2.052 10.323 11.112 1.00 0.00 H new ATOM 0 HA HIS A 75 3.103 7.612 10.553 1.00 0.00 H new ATOM 0 HB2 HIS A 75 1.994 6.951 12.717 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.422 7.950 12.900 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.310 7.973 13.355 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.951 10.540 13.930 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.162 9.913 14.761 1.00 0.00 H new ATOM 1198 N TRP A 76 0.950 7.061 9.490 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.308 6.686 8.854 1.00 0.00 C ATOM 1200 C TRP A 76 -0.991 5.559 9.620 1.00 0.00 C ATOM 1201 O TRP A 76 -2.204 5.580 9.823 1.00 0.00 O ATOM 1202 CB TRP A 76 -0.063 6.259 7.405 1.00 0.00 C ATOM 1203 CG TRP A 76 0.440 7.371 6.535 1.00 0.00 C ATOM 1204 CD1 TRP A 76 -0.308 8.337 5.926 1.00 0.00 C ATOM 1205 CD2 TRP A 76 1.802 7.629 6.177 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.507 9.181 5.210 1.00 0.00 N ATOM 1207 CE2 TRP A 76 1.806 8.768 5.348 1.00 0.00 C ATOM 1208 CE3 TRP A 76 3.018 7.011 6.477 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 2.979 9.298 4.817 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.182 7.537 5.949 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.155 8.672 5.127 1.00 0.00 C ATOM 0 H TRP A 76 1.771 6.586 9.114 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.965 7.556 8.863 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.658 5.442 7.392 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -0.992 5.871 6.986 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.382 8.425 5.996 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.195 9.984 4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.048 6.137 7.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 2.961 10.172 4.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.128 7.066 6.173 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.082 9.060 4.730 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.204 4.576 10.045 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.734 3.439 10.789 1.00 0.00 C ATOM 1224 C ASN A 77 -2.096 3.020 10.245 1.00 0.00 C ATOM 1225 O ASN A 77 -2.974 2.601 10.998 1.00 0.00 O ATOM 1226 CB ASN A 77 -0.851 3.786 12.275 1.00 0.00 C ATOM 1227 CG ASN A 77 -1.763 4.973 12.521 1.00 0.00 C ATOM 1228 OD1 ASN A 77 -1.170 6.117 12.845 1.00 0.00 O flip ATOM 1229 ND2 ASN A 77 -2.985 4.863 12.421 1.00 0.00 N flip ATOM 0 H ASN A 77 0.803 4.544 9.887 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.043 2.605 10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.230 2.921 12.819 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.140 4.004 12.674 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.397 3.965 12.170 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.585 5.670 12.589 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.263 3.135 8.931 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.518 2.768 8.286 1.00 0.00 C ATOM 1238 C GLU A 78 -3.519 1.291 7.899 1.00 0.00 C ATOM 1239 O GLU A 78 -2.485 0.625 7.943 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.751 3.631 7.045 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.301 5.013 7.359 1.00 0.00 C ATOM 1242 CD GLU A 78 -5.769 4.984 7.738 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -6.619 5.015 6.823 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -6.067 4.930 8.949 1.00 0.00 O ATOM 0 H GLU A 78 -1.545 3.479 8.293 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.326 2.941 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.810 3.738 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.444 3.116 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.727 5.451 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.166 5.659 6.492 1.00 0.00 H new ATOM 1251 N THR A 79 -4.689 0.786 7.520 1.00 0.00 N ATOM 1252 CA THR A 79 -4.827 -0.611 7.128 1.00 0.00 C ATOM 1253 C THR A 79 -5.578 -0.739 5.807 1.00 0.00 C ATOM 1254 O THR A 79 -6.659 -0.174 5.639 1.00 0.00 O ATOM 1255 CB THR A 79 -5.564 -1.427 8.206 1.00 0.00 C ATOM 1256 OG1 THR A 79 -4.921 -1.258 9.474 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.595 -2.904 7.840 1.00 0.00 C ATOM 0 H THR A 79 -5.555 1.324 7.476 1.00 0.00 H new ATOM 0 HA THR A 79 -3.819 -1.008 7.010 1.00 0.00 H new ATOM 0 HB THR A 79 -6.589 -1.063 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.397 -1.779 10.154 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.121 -3.460 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.111 -3.032 6.889 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.575 -3.279 7.753 1.00 0.00 H new ATOM 1265 N PHE A 80 -4.999 -1.486 4.873 1.00 0.00 N ATOM 1266 CA PHE A 80 -5.614 -1.689 3.567 1.00 0.00 C ATOM 1267 C PHE A 80 -6.056 -3.139 3.392 1.00 0.00 C ATOM 1268 O PHE A 80 -5.480 -4.051 3.987 1.00 0.00 O ATOM 1269 CB PHE A 80 -4.637 -1.304 2.454 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.318 0.163 2.417 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -5.155 1.051 1.761 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -3.182 0.655 3.039 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -4.863 2.402 1.724 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -2.885 2.004 3.007 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.728 2.879 2.350 1.00 0.00 C ATOM 0 H PHE A 80 -4.105 -1.961 4.996 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.495 -1.050 3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.712 -1.866 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.058 -1.600 1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.046 0.684 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.520 -0.025 3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.522 3.083 1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.995 2.374 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.500 3.934 2.326 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.081 -3.344 2.573 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.602 -4.683 2.319 1.00 0.00 C ATOM 1287 C LEU A 81 -7.974 -4.853 0.850 1.00 0.00 C ATOM 1288 O LEU A 81 -8.824 -4.132 0.327 1.00 0.00 O ATOM 1289 CB LEU A 81 -8.822 -4.953 3.201 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.559 -5.026 4.706 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -9.870 -5.067 5.475 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -7.705 -6.241 5.040 1.00 0.00 C ATOM 0 H LEU A 81 -7.568 -2.600 2.073 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.820 -5.402 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.558 -4.170 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.273 -5.894 2.885 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.014 -4.130 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.663 -5.119 6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.446 -4.167 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.442 -5.945 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.528 -6.277 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.224 -7.147 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.751 -6.170 4.517 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.335 -5.813 0.190 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.600 -6.079 -1.219 1.00 0.00 C ATOM 1306 C PHE A 82 -8.464 -7.326 -1.384 1.00 0.00 C ATOM 1307 O PHE A 82 -7.971 -8.450 -1.304 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.286 -6.251 -1.984 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.498 -4.979 -2.114 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -5.837 -4.033 -3.068 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.418 -4.730 -1.283 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.113 -2.862 -3.190 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.690 -3.561 -1.400 1.00 0.00 C ATOM 1314 CZ PHE A 82 -4.039 -2.625 -2.354 1.00 0.00 C ATOM 0 H PHE A 82 -6.630 -6.420 0.608 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.141 -5.226 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.675 -6.998 -1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.502 -6.639 -2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.676 -4.213 -3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.142 -5.458 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.387 -2.133 -3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.850 -3.380 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.473 -1.710 -2.446 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.757 -7.117 -1.614 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.690 -8.224 -1.789 1.00 0.00 C ATOM 1326 C GLU A 83 -10.880 -8.547 -3.268 1.00 0.00 C ATOM 1327 O GLU A 83 -10.928 -7.651 -4.109 1.00 0.00 O ATOM 1328 CB GLU A 83 -12.040 -7.888 -1.151 1.00 0.00 C ATOM 1329 CG GLU A 83 -11.945 -7.530 0.322 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.304 -7.426 0.986 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -13.987 -8.465 1.105 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -13.685 -6.306 1.387 1.00 0.00 O ATOM 0 H GLU A 83 -10.182 -6.192 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.271 -9.100 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.490 -7.054 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.709 -8.741 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.350 -8.284 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.419 -6.581 0.428 1.00 0.00 H new ATOM 1339 N GLY A 84 -10.988 -9.836 -3.577 1.00 0.00 N ATOM 1340 CA GLY A 84 -11.170 -10.256 -4.954 1.00 0.00 C ATOM 1341 C GLY A 84 -9.896 -10.802 -5.568 1.00 0.00 C ATOM 1342 O GLY A 84 -9.774 -10.886 -6.790 1.00 0.00 O ATOM 0 H GLY A 84 -10.953 -10.596 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.947 -11.019 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.521 -9.410 -5.545 1.00 0.00 H new ATOM 1346 N PHE A 85 -8.944 -11.173 -4.718 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.671 -11.711 -5.184 1.00 0.00 C ATOM 1348 C PHE A 85 -7.254 -12.919 -4.351 1.00 0.00 C ATOM 1349 O PHE A 85 -6.991 -12.818 -3.152 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.585 -10.635 -5.122 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.465 -9.832 -6.386 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.533 -9.081 -6.849 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -5.283 -9.827 -7.109 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -7.425 -8.342 -8.012 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -5.169 -9.089 -8.272 1.00 0.00 C ATOM 1356 CZ PHE A 85 -6.242 -8.344 -8.723 1.00 0.00 C ATOM 0 H PHE A 85 -9.030 -11.111 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.797 -12.031 -6.218 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.799 -9.962 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.627 -11.109 -4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.460 -9.073 -6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.441 -10.406 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.266 -7.763 -8.364 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.243 -9.095 -8.827 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.155 -7.764 -9.630 1.00 0.00 H new ATOM 1366 N PRO A 86 -7.193 -14.092 -4.999 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.809 -15.343 -4.338 1.00 0.00 C ATOM 1368 C PRO A 86 -5.333 -15.366 -3.954 1.00 0.00 C ATOM 1369 O PRO A 86 -4.479 -14.895 -4.705 1.00 0.00 O ATOM 1370 CB PRO A 86 -7.103 -16.408 -5.397 1.00 0.00 C ATOM 1371 CG PRO A 86 -7.012 -15.686 -6.697 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.493 -14.287 -6.427 1.00 0.00 C ATOM 0 HA PRO A 86 -7.348 -15.492 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.383 -17.225 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.092 -16.845 -5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.988 -15.682 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.626 -16.170 -7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.975 -13.557 -7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.558 -14.182 -6.632 1.00 0.00 H new ATOM 1380 N TYR A 87 -5.040 -15.918 -2.782 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.668 -16.000 -2.298 1.00 0.00 C ATOM 1382 C TYR A 87 -2.738 -16.532 -3.384 1.00 0.00 C ATOM 1383 O TYR A 87 -1.709 -15.928 -3.685 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.594 -16.900 -1.063 1.00 0.00 C ATOM 1385 CG TYR A 87 -2.222 -17.491 -0.826 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.232 -16.763 -0.180 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.918 -18.780 -1.248 1.00 0.00 C ATOM 1388 CE1 TYR A 87 0.023 -17.299 0.038 1.00 0.00 C ATOM 1389 CE2 TYR A 87 -0.666 -19.325 -1.033 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.300 -18.580 -0.390 1.00 0.00 C ATOM 1391 OH TYR A 87 1.548 -19.118 -0.174 1.00 0.00 O ATOM 0 H TYR A 87 -5.735 -16.315 -2.150 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.344 -14.995 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.889 -16.324 -0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.316 -17.710 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.446 -15.760 0.158 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.673 -19.365 -1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.782 -16.718 0.541 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.446 -20.328 -1.367 1.00 0.00 H new ATOM 0 HH TYR A 87 1.579 -20.029 -0.535 1.00 0.00 H new ATOM 1401 N GLU A 88 -3.109 -17.666 -3.969 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.309 -18.279 -5.023 1.00 0.00 C ATOM 1403 C GLU A 88 -1.875 -17.239 -6.051 1.00 0.00 C ATOM 1404 O GLU A 88 -0.864 -17.408 -6.734 1.00 0.00 O ATOM 1405 CB GLU A 88 -3.100 -19.394 -5.711 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.266 -18.889 -6.543 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.712 -19.890 -7.591 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -4.145 -19.878 -8.703 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -5.629 -20.686 -7.297 1.00 0.00 O ATOM 0 H GLU A 88 -3.958 -18.179 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.417 -18.706 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.427 -19.963 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.476 -20.082 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.104 -18.660 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.981 -17.958 -7.033 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.646 -16.163 -6.158 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.343 -15.094 -7.102 1.00 0.00 C ATOM 1418 C LYS A 89 -1.606 -13.951 -6.411 1.00 0.00 C ATOM 1419 O LYS A 89 -0.493 -13.594 -6.796 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.631 -14.571 -7.742 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.170 -15.468 -8.843 1.00 0.00 C ATOM 1422 CD LYS A 89 -5.258 -14.774 -9.645 1.00 0.00 C ATOM 1423 CE LYS A 89 -6.066 -15.768 -10.466 1.00 0.00 C ATOM 1424 NZ LYS A 89 -6.997 -15.084 -11.406 1.00 0.00 N ATOM 0 H LYS A 89 -3.487 -16.008 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.697 -15.502 -7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.392 -14.461 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.446 -13.578 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.356 -15.759 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.567 -16.384 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.922 -14.234 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.808 -14.035 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.388 -16.410 -11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.635 -16.414 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.529 -15.795 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.660 -14.491 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.453 -14.487 -12.061 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.234 -13.381 -5.387 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.637 -12.280 -4.641 1.00 0.00 C ATOM 1440 C VAL A 90 -0.140 -12.496 -4.446 1.00 0.00 C ATOM 1441 O VAL A 90 0.632 -11.540 -4.375 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.303 -12.109 -3.263 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.640 -13.010 -2.233 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.250 -10.653 -2.823 1.00 0.00 C ATOM 0 H VAL A 90 -3.156 -13.664 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.798 -11.376 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.350 -12.402 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.124 -12.875 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.735 -14.050 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.584 -12.752 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.725 -10.550 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.211 -10.331 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.776 -10.034 -3.550 1.00 0.00 H new ATOM 1454 N VAL A 91 0.263 -13.760 -4.361 1.00 0.00 N ATOM 1455 CA VAL A 91 1.668 -14.103 -4.176 1.00 0.00 C ATOM 1456 C VAL A 91 2.482 -13.777 -5.424 1.00 0.00 C ATOM 1457 O VAL A 91 3.587 -13.244 -5.333 1.00 0.00 O ATOM 1458 CB VAL A 91 1.842 -15.596 -3.839 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.227 -15.912 -2.484 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.227 -16.463 -4.928 1.00 0.00 C ATOM 0 H VAL A 91 -0.363 -14.563 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 91 2.032 -13.505 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 91 2.908 -15.818 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.359 -16.971 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.717 -15.316 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.163 -15.675 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.359 -17.515 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.163 -16.241 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.718 -16.255 -5.879 1.00 0.00 H new ATOM 1470 N GLN A 92 1.928 -14.101 -6.587 1.00 0.00 N ATOM 1471 CA GLN A 92 2.603 -13.843 -7.853 1.00 0.00 C ATOM 1472 C GLN A 92 2.782 -12.345 -8.079 1.00 0.00 C ATOM 1473 O GLN A 92 3.443 -11.926 -9.029 1.00 0.00 O ATOM 1474 CB GLN A 92 1.812 -14.454 -9.011 1.00 0.00 C ATOM 1475 CG GLN A 92 1.399 -15.897 -8.771 1.00 0.00 C ATOM 1476 CD GLN A 92 1.226 -16.677 -10.059 1.00 0.00 C ATOM 1477 OE1 GLN A 92 2.188 -16.912 -10.791 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.006 -17.083 -10.345 1.00 0.00 N ATOM 0 H GLN A 92 1.013 -14.543 -6.679 1.00 0.00 H new ATOM 0 HA GLN A 92 3.589 -14.306 -7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.919 -13.854 -9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.414 -14.403 -9.918 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.150 -16.388 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.464 -15.915 -8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.775 -16.866 -9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.183 -17.611 -11.199 1.00 0.00 H new ATOM 1487 N ARG A 93 2.190 -11.544 -7.199 1.00 0.00 N ATOM 1488 CA ARG A 93 2.283 -10.093 -7.304 1.00 0.00 C ATOM 1489 C ARG A 93 3.448 -9.562 -6.475 1.00 0.00 C ATOM 1490 O ARG A 93 4.140 -10.324 -5.798 1.00 0.00 O ATOM 1491 CB ARG A 93 0.977 -9.443 -6.843 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.260 -10.019 -7.512 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.340 -9.617 -8.976 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.678 -9.817 -9.526 1.00 0.00 N ATOM 1495 CZ ARG A 93 -2.145 -10.999 -9.914 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -1.385 -12.081 -9.811 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -3.373 -11.100 -10.404 1.00 0.00 N ATOM 0 H ARG A 93 1.641 -11.875 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 93 2.458 -9.839 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.884 -9.561 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.023 -8.373 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.245 -11.106 -7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.152 -9.673 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.058 -8.569 -9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.379 -10.199 -9.552 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.288 -9.004 -9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.440 -12.007 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.745 -12.987 -10.109 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.960 -10.270 -10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.730 -12.008 -10.702 1.00 0.00 H new ATOM 1511 N ILE A 94 3.660 -8.252 -6.533 1.00 0.00 N ATOM 1512 CA ILE A 94 4.741 -7.619 -5.787 1.00 0.00 C ATOM 1513 C ILE A 94 4.295 -6.287 -5.196 1.00 0.00 C ATOM 1514 O ILE A 94 3.774 -5.424 -5.904 1.00 0.00 O ATOM 1515 CB ILE A 94 5.977 -7.385 -6.677 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.637 -8.719 -7.031 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.967 -6.467 -5.976 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.372 -8.698 -8.353 1.00 0.00 C ATOM 0 H ILE A 94 3.098 -7.608 -7.089 1.00 0.00 H new ATOM 0 HA ILE A 94 5.008 -8.300 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 94 5.656 -6.904 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.336 -8.990 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.873 -9.496 -7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.835 -6.311 -6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.491 -5.508 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.285 -6.923 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 94 7.815 -9.677 -8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.673 -8.458 -9.154 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.159 -7.944 -8.320 1.00 0.00 H new ATOM 1530 N LEU A 95 4.503 -6.124 -3.894 1.00 0.00 N ATOM 1531 CA LEU A 95 4.124 -4.895 -3.206 1.00 0.00 C ATOM 1532 C LEU A 95 5.061 -3.751 -3.579 1.00 0.00 C ATOM 1533 O LEU A 95 6.269 -3.825 -3.353 1.00 0.00 O ATOM 1534 CB LEU A 95 4.141 -5.109 -1.691 1.00 0.00 C ATOM 1535 CG LEU A 95 3.515 -3.997 -0.849 1.00 0.00 C ATOM 1536 CD1 LEU A 95 2.013 -3.934 -1.079 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.823 -4.208 0.626 1.00 0.00 C ATOM 0 H LEU A 95 4.932 -6.828 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 95 3.114 -4.630 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.621 -6.041 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.176 -5.238 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 95 3.948 -3.046 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.585 -3.137 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.814 -3.734 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.562 -4.886 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.370 -3.407 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.418 -5.167 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.902 -4.201 0.777 1.00 0.00 H new ATOM 1549 N TYR A 96 4.496 -2.693 -4.149 1.00 0.00 N ATOM 1550 CA TYR A 96 5.281 -1.533 -4.554 1.00 0.00 C ATOM 1551 C TYR A 96 4.912 -0.308 -3.722 1.00 0.00 C ATOM 1552 O TYR A 96 3.873 0.317 -3.942 1.00 0.00 O ATOM 1553 CB TYR A 96 5.065 -1.238 -6.040 1.00 0.00 C ATOM 1554 CG TYR A 96 5.969 -0.153 -6.579 1.00 0.00 C ATOM 1555 CD1 TYR A 96 5.617 1.188 -6.475 1.00 0.00 C ATOM 1556 CD2 TYR A 96 7.174 -0.467 -7.194 1.00 0.00 C ATOM 1557 CE1 TYR A 96 6.439 2.183 -6.967 1.00 0.00 C ATOM 1558 CE2 TYR A 96 8.003 0.521 -7.688 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.632 1.845 -7.572 1.00 0.00 C ATOM 1560 OH TYR A 96 8.454 2.832 -8.064 1.00 0.00 O ATOM 0 H TYR A 96 3.497 -2.614 -4.341 1.00 0.00 H new ATOM 0 HA TYR A 96 6.333 -1.761 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.228 -2.152 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.027 -0.945 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.684 1.456 -6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.468 -1.502 -7.288 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.150 3.220 -6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.937 0.259 -8.163 1.00 0.00 H new ATOM 0 HH TYR A 96 8.227 3.687 -7.642 1.00 0.00 H new ATOM 1570 N LEU A 97 5.770 0.030 -2.766 1.00 0.00 N ATOM 1571 CA LEU A 97 5.537 1.180 -1.900 1.00 0.00 C ATOM 1572 C LEU A 97 6.483 2.324 -2.248 1.00 0.00 C ATOM 1573 O LEU A 97 7.700 2.197 -2.116 1.00 0.00 O ATOM 1574 CB LEU A 97 5.715 0.784 -0.433 1.00 0.00 C ATOM 1575 CG LEU A 97 4.949 -0.458 0.024 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.591 -1.054 1.267 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.489 -0.118 0.286 1.00 0.00 C ATOM 0 H LEU A 97 6.634 -0.476 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 97 4.513 1.519 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.777 0.620 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.409 1.625 0.189 1.00 0.00 H new ATOM 0 HG LEU A 97 4.991 -1.201 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.032 -1.937 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.620 -1.335 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.581 -0.317 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.959 -1.014 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.427 0.642 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.034 0.261 -0.629 1.00 0.00 H new ATOM 1589 N GLN A 98 5.915 3.442 -2.690 1.00 0.00 N ATOM 1590 CA GLN A 98 6.709 4.609 -3.055 1.00 0.00 C ATOM 1591 C GLN A 98 6.375 5.797 -2.159 1.00 0.00 C ATOM 1592 O GLN A 98 5.238 6.266 -2.132 1.00 0.00 O ATOM 1593 CB GLN A 98 6.470 4.977 -4.520 1.00 0.00 C ATOM 1594 CG GLN A 98 7.122 6.287 -4.933 1.00 0.00 C ATOM 1595 CD GLN A 98 7.564 6.287 -6.383 1.00 0.00 C ATOM 1596 OE1 GLN A 98 7.739 5.231 -6.991 1.00 0.00 O ATOM 1597 NE2 GLN A 98 7.748 7.476 -6.946 1.00 0.00 N ATOM 0 H GLN A 98 4.909 3.564 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 98 7.761 4.358 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.850 4.176 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.397 5.043 -4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.420 7.105 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.985 6.476 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.591 8.326 -6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.046 7.539 -7.919 1.00 0.00 H new ATOM 1606 N VAL A 99 7.374 6.278 -1.425 1.00 0.00 N ATOM 1607 CA VAL A 99 7.186 7.411 -0.528 1.00 0.00 C ATOM 1608 C VAL A 99 7.655 8.709 -1.176 1.00 0.00 C ATOM 1609 O VAL A 99 8.849 8.905 -1.407 1.00 0.00 O ATOM 1610 CB VAL A 99 7.944 7.209 0.798 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.665 8.359 1.754 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.567 5.877 1.429 1.00 0.00 C ATOM 0 H VAL A 99 8.321 5.900 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 99 6.118 7.477 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 99 9.013 7.196 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.209 8.198 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.990 9.296 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.596 8.408 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.112 5.751 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.495 5.859 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.824 5.066 0.747 1.00 0.00 H new ATOM 1622 N LEU A 100 6.708 9.594 -1.467 1.00 0.00 N ATOM 1623 CA LEU A 100 7.024 10.875 -2.089 1.00 0.00 C ATOM 1624 C LEU A 100 6.037 11.952 -1.649 1.00 0.00 C ATOM 1625 O LEU A 100 5.118 11.686 -0.874 1.00 0.00 O ATOM 1626 CB LEU A 100 7.006 10.743 -3.613 1.00 0.00 C ATOM 1627 CG LEU A 100 5.652 10.414 -4.242 1.00 0.00 C ATOM 1628 CD1 LEU A 100 5.699 10.620 -5.748 1.00 0.00 C ATOM 1629 CD2 LEU A 100 5.242 8.987 -3.910 1.00 0.00 C ATOM 0 H LEU A 100 5.716 9.448 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 100 8.023 11.170 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.366 11.678 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.715 9.966 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 100 4.906 11.091 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.727 10.381 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.947 11.659 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.458 9.968 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.276 8.771 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.989 8.294 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.167 8.872 -2.829 1.00 0.00 H new ATOM 1641 N ASP A 101 6.233 13.167 -2.149 1.00 0.00 N ATOM 1642 CA ASP A 101 5.359 14.284 -1.810 1.00 0.00 C ATOM 1643 C ASP A 101 4.411 14.601 -2.963 1.00 0.00 C ATOM 1644 O ASP A 101 4.747 14.398 -4.130 1.00 0.00 O ATOM 1645 CB ASP A 101 6.188 15.520 -1.460 1.00 0.00 C ATOM 1646 CG ASP A 101 6.506 16.368 -2.676 1.00 0.00 C ATOM 1647 OD1 ASP A 101 7.457 16.022 -3.409 1.00 0.00 O ATOM 1648 OD2 ASP A 101 5.803 17.376 -2.897 1.00 0.00 O ATOM 0 H ASP A 101 6.990 13.404 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 101 4.764 13.998 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.646 16.123 -0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.118 15.207 -0.985 1.00 0.00 H new ATOM 1791 N PRO A 110 9.217 12.371 -6.882 1.00 0.00 N ATOM 1792 CA PRO A 110 9.377 11.145 -6.095 1.00 0.00 C ATOM 1793 C PRO A 110 10.623 11.178 -5.217 1.00 0.00 C ATOM 1794 O PRO A 110 11.682 11.639 -5.645 1.00 0.00 O ATOM 1795 CB PRO A 110 9.501 10.053 -7.160 1.00 0.00 C ATOM 1796 CG PRO A 110 10.024 10.757 -8.365 1.00 0.00 C ATOM 1797 CD PRO A 110 9.442 12.143 -8.319 1.00 0.00 C ATOM 0 HA PRO A 110 8.548 10.993 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.178 9.262 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.537 9.585 -7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.113 10.791 -8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.729 10.240 -9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.126 12.880 -8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.514 12.208 -8.886 1.00 0.00 H new ATOM 1805 N ILE A 111 10.491 10.687 -3.990 1.00 0.00 N ATOM 1806 CA ILE A 111 11.607 10.660 -3.054 1.00 0.00 C ATOM 1807 C ILE A 111 12.252 9.278 -3.007 1.00 0.00 C ATOM 1808 O ILE A 111 13.475 9.152 -3.009 1.00 0.00 O ATOM 1809 CB ILE A 111 11.161 11.054 -1.633 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.313 12.327 -1.676 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.372 11.248 -0.733 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.586 12.613 -0.381 1.00 0.00 C ATOM 0 H ILE A 111 9.622 10.302 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 111 12.336 11.387 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 111 10.553 10.248 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.956 13.174 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.584 12.241 -2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 111 12.041 11.526 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.940 10.319 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.004 12.038 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.005 13.530 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.917 11.784 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.311 12.732 0.425 1.00 0.00 H new ATOM 1824 N GLY A 112 11.418 8.243 -2.967 1.00 0.00 N ATOM 1825 CA GLY A 112 11.924 6.884 -2.922 1.00 0.00 C ATOM 1826 C GLY A 112 10.814 5.852 -2.897 1.00 0.00 C ATOM 1827 O GLY A 112 9.638 6.200 -2.791 1.00 0.00 O ATOM 0 H GLY A 112 10.401 8.322 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.560 6.708 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.549 6.762 -2.038 1.00 0.00 H new ATOM 1831 N GLU A 113 11.188 4.581 -2.995 1.00 0.00 N ATOM 1832 CA GLU A 113 10.213 3.496 -2.985 1.00 0.00 C ATOM 1833 C GLU A 113 10.884 2.165 -2.656 1.00 0.00 C ATOM 1834 O GLU A 113 12.098 2.099 -2.468 1.00 0.00 O ATOM 1835 CB GLU A 113 9.507 3.402 -4.339 1.00 0.00 C ATOM 1836 CG GLU A 113 10.456 3.189 -5.507 1.00 0.00 C ATOM 1837 CD GLU A 113 10.753 1.723 -5.757 1.00 0.00 C ATOM 1838 OE1 GLU A 113 9.793 0.926 -5.817 1.00 0.00 O ATOM 1839 OE2 GLU A 113 11.944 1.373 -5.892 1.00 0.00 O ATOM 0 H GLU A 113 12.158 4.277 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 113 9.475 3.712 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.791 2.581 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.937 4.316 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.023 3.627 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.390 3.717 -5.313 1.00 0.00 H new ATOM 1846 N VAL A 114 10.083 1.106 -2.587 1.00 0.00 N ATOM 1847 CA VAL A 114 10.597 -0.223 -2.281 1.00 0.00 C ATOM 1848 C VAL A 114 9.911 -1.287 -3.131 1.00 0.00 C ATOM 1849 O VAL A 114 8.821 -1.066 -3.658 1.00 0.00 O ATOM 1850 CB VAL A 114 10.407 -0.570 -0.793 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.461 -1.567 -0.338 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.452 0.691 0.057 1.00 0.00 C ATOM 0 H VAL A 114 9.075 1.143 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 114 11.663 -0.210 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 114 9.427 -1.031 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.310 -1.800 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 114 11.376 -2.480 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.453 -1.137 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.316 0.428 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.416 1.182 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.656 1.368 -0.253 1.00 0.00 H new ATOM 1862 N SER A 115 10.557 -2.441 -3.259 1.00 0.00 N ATOM 1863 CA SER A 115 10.010 -3.539 -4.048 1.00 0.00 C ATOM 1864 C SER A 115 10.210 -4.873 -3.334 1.00 0.00 C ATOM 1865 O SER A 115 11.341 -5.317 -3.130 1.00 0.00 O ATOM 1866 CB SER A 115 10.671 -3.582 -5.427 1.00 0.00 C ATOM 1867 OG SER A 115 11.905 -4.277 -5.381 1.00 0.00 O ATOM 0 H SER A 115 11.459 -2.640 -2.827 1.00 0.00 H new ATOM 0 HA SER A 115 8.940 -3.369 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.003 -4.068 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.836 -2.566 -5.786 1.00 0.00 H new ATOM 0 HG SER A 115 12.135 -4.474 -4.449 1.00 0.00 H new ATOM 1873 N ILE A 116 9.105 -5.507 -2.957 1.00 0.00 N ATOM 1874 CA ILE A 116 9.158 -6.790 -2.267 1.00 0.00 C ATOM 1875 C ILE A 116 8.019 -7.701 -2.712 1.00 0.00 C ATOM 1876 O ILE A 116 6.840 -7.362 -2.600 1.00 0.00 O ATOM 1877 CB ILE A 116 9.090 -6.610 -0.739 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.350 -5.907 -0.230 1.00 0.00 C ATOM 1879 CG2 ILE A 116 8.916 -7.958 -0.055 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.287 -5.541 1.236 1.00 0.00 C ATOM 0 H ILE A 116 8.162 -5.153 -3.118 1.00 0.00 H new ATOM 0 HA ILE A 116 10.111 -7.250 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 116 8.228 -5.988 -0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.211 -6.555 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.513 -5.002 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.870 -7.815 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.993 -8.424 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 116 9.761 -8.602 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.213 -5.046 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.447 -4.868 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.155 -6.445 1.831 1.00 0.00 H new ATOM 1892 N PRO A 117 8.376 -8.886 -3.229 1.00 0.00 N ATOM 1893 CA PRO A 117 7.399 -9.871 -3.699 1.00 0.00 C ATOM 1894 C PRO A 117 6.610 -10.498 -2.554 1.00 0.00 C ATOM 1895 O PRO A 117 7.189 -10.985 -1.582 1.00 0.00 O ATOM 1896 CB PRO A 117 8.264 -10.926 -4.393 1.00 0.00 C ATOM 1897 CG PRO A 117 9.599 -10.808 -3.743 1.00 0.00 C ATOM 1898 CD PRO A 117 9.762 -9.355 -3.394 1.00 0.00 C ATOM 0 HA PRO A 117 6.648 -9.421 -4.348 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.848 -11.925 -4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.328 -10.742 -5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.655 -11.432 -2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.391 -11.139 -4.415 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.342 -9.224 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.280 -8.808 -4.182 1.00 0.00 H new ATOM 1906 N LEU A 118 5.287 -10.483 -2.675 1.00 0.00 N ATOM 1907 CA LEU A 118 4.419 -11.050 -1.649 1.00 0.00 C ATOM 1908 C LEU A 118 4.600 -12.562 -1.558 1.00 0.00 C ATOM 1909 O LEU A 118 4.073 -13.207 -0.652 1.00 0.00 O ATOM 1910 CB LEU A 118 2.957 -10.718 -1.950 1.00 0.00 C ATOM 1911 CG LEU A 118 2.568 -9.243 -1.840 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.160 -9.021 -2.373 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.675 -8.769 -0.398 1.00 0.00 C ATOM 0 H LEU A 118 4.792 -10.085 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 118 4.695 -10.611 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.728 -11.059 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.327 -11.291 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 118 3.260 -8.658 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.900 -7.966 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.116 -9.321 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.454 -9.617 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.394 -7.717 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.007 -9.359 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.701 -8.891 -0.050 1.00 0.00 H new ATOM 1925 N ASN A 119 5.351 -13.121 -2.502 1.00 0.00 N ATOM 1926 CA ASN A 119 5.603 -14.557 -2.527 1.00 0.00 C ATOM 1927 C ASN A 119 6.778 -14.919 -1.623 1.00 0.00 C ATOM 1928 O ASN A 119 6.910 -16.062 -1.186 1.00 0.00 O ATOM 1929 CB ASN A 119 5.884 -15.022 -3.958 1.00 0.00 C ATOM 1930 CG ASN A 119 6.737 -16.275 -4.002 1.00 0.00 C ATOM 1931 OD1 ASN A 119 6.223 -17.391 -3.928 1.00 0.00 O ATOM 1932 ND2 ASN A 119 8.047 -16.094 -4.123 1.00 0.00 N ATOM 0 H ASN A 119 5.795 -12.601 -3.259 1.00 0.00 H new ATOM 0 HA ASN A 119 4.712 -15.063 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.939 -15.211 -4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.387 -14.224 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 119 8.672 -16.899 -4.158 1.00 0.00 H new ATOM 0 HD22 ASN A 119 8.428 -15.150 -4.181 1.00 0.00 H new ATOM 1939 N LYS A 120 7.630 -13.937 -1.348 1.00 0.00 N ATOM 1940 CA LYS A 120 8.793 -14.149 -0.495 1.00 0.00 C ATOM 1941 C LYS A 120 8.428 -13.980 0.976 1.00 0.00 C ATOM 1942 O LYS A 120 8.818 -14.787 1.820 1.00 0.00 O ATOM 1943 CB LYS A 120 9.911 -13.173 -0.869 1.00 0.00 C ATOM 1944 CG LYS A 120 10.657 -13.559 -2.134 1.00 0.00 C ATOM 1945 CD LYS A 120 11.583 -14.740 -1.897 1.00 0.00 C ATOM 1946 CE LYS A 120 12.924 -14.294 -1.337 1.00 0.00 C ATOM 1947 NZ LYS A 120 13.790 -13.688 -2.387 1.00 0.00 N ATOM 0 H LYS A 120 7.536 -12.986 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 120 9.143 -15.170 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.485 -12.178 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.620 -13.112 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.942 -13.808 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.236 -12.707 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.113 -15.439 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.739 -15.275 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.761 -13.570 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.435 -15.149 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.745 -13.537 -2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.842 -14.327 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.388 -12.776 -2.685 1.00 0.00 H new ATOM 1961 N VAL A 121 7.674 -12.927 1.277 1.00 0.00 N ATOM 1962 CA VAL A 121 7.254 -12.654 2.646 1.00 0.00 C ATOM 1963 C VAL A 121 6.275 -13.713 3.142 1.00 0.00 C ATOM 1964 O VAL A 121 5.349 -14.100 2.428 1.00 0.00 O ATOM 1965 CB VAL A 121 6.596 -11.267 2.765 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.617 -11.040 1.623 1.00 0.00 C ATOM 1967 CG2 VAL A 121 5.902 -11.120 4.111 1.00 0.00 C ATOM 0 H VAL A 121 7.342 -12.249 0.591 1.00 0.00 H new ATOM 0 HA VAL A 121 8.152 -12.676 3.263 1.00 0.00 H new ATOM 0 HB VAL A 121 7.375 -10.508 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.162 -10.055 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.147 -11.099 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.840 -11.803 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.443 -10.134 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.133 -11.886 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.633 -11.235 4.912 1.00 0.00 H new ATOM 1977 N ASP A 122 6.486 -14.177 4.368 1.00 0.00 N ATOM 1978 CA ASP A 122 5.621 -15.190 4.961 1.00 0.00 C ATOM 1979 C ASP A 122 4.241 -14.616 5.266 1.00 0.00 C ATOM 1980 O ASP A 122 3.952 -14.232 6.400 1.00 0.00 O ATOM 1981 CB ASP A 122 6.250 -15.743 6.241 1.00 0.00 C ATOM 1982 CG ASP A 122 7.649 -16.281 6.013 1.00 0.00 C ATOM 1983 OD1 ASP A 122 7.786 -17.294 5.297 1.00 0.00 O ATOM 1984 OD2 ASP A 122 8.608 -15.688 6.551 1.00 0.00 O ATOM 0 H ASP A 122 7.249 -13.868 4.971 1.00 0.00 H new ATOM 0 HA ASP A 122 5.507 -16.001 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.285 -14.956 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.619 -16.538 6.639 1.00 0.00 H new ATOM 1989 N LEU A 123 3.391 -14.560 4.246 1.00 0.00 N ATOM 1990 CA LEU A 123 2.041 -14.031 4.403 1.00 0.00 C ATOM 1991 C LEU A 123 1.265 -14.823 5.451 1.00 0.00 C ATOM 1992 O LEU A 123 0.271 -14.344 5.998 1.00 0.00 O ATOM 1993 CB LEU A 123 1.298 -14.068 3.066 1.00 0.00 C ATOM 1994 CG LEU A 123 1.732 -13.031 2.029 1.00 0.00 C ATOM 1995 CD1 LEU A 123 1.036 -13.282 0.701 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.442 -11.623 2.529 1.00 0.00 C ATOM 0 H LEU A 123 3.613 -14.875 3.302 1.00 0.00 H new ATOM 0 HA LEU A 123 2.119 -12.997 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.421 -15.060 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.234 -13.935 3.261 1.00 0.00 H new ATOM 0 HG LEU A 123 2.807 -13.125 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.357 -12.535 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.295 -14.276 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.043 -13.215 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.757 -10.898 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.373 -11.515 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 123 1.988 -11.446 3.456 1.00 0.00 H new ATOM 2008 N THR A 124 1.726 -16.039 5.727 1.00 0.00 N ATOM 2009 CA THR A 124 1.077 -16.898 6.710 1.00 0.00 C ATOM 2010 C THR A 124 0.763 -16.131 7.989 1.00 0.00 C ATOM 2011 O THR A 124 -0.185 -16.458 8.702 1.00 0.00 O ATOM 2012 CB THR A 124 1.953 -18.116 7.057 1.00 0.00 C ATOM 2013 OG1 THR A 124 3.177 -17.683 7.659 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.256 -18.937 5.813 1.00 0.00 C ATOM 0 H THR A 124 2.547 -16.451 5.283 1.00 0.00 H new ATOM 0 HA THR A 124 0.147 -17.245 6.261 1.00 0.00 H new ATOM 0 HB THR A 124 1.404 -18.742 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.728 -18.463 7.878 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.876 -19.792 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.323 -19.290 5.374 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.787 -18.318 5.089 1.00 0.00 H new ATOM 2022 N GLN A 125 1.563 -15.108 8.272 1.00 0.00 N ATOM 2023 CA GLN A 125 1.370 -14.294 9.466 1.00 0.00 C ATOM 2024 C GLN A 125 1.868 -12.871 9.241 1.00 0.00 C ATOM 2025 O GLN A 125 2.508 -12.579 8.231 1.00 0.00 O ATOM 2026 CB GLN A 125 2.096 -14.920 10.658 1.00 0.00 C ATOM 2027 CG GLN A 125 1.456 -16.206 11.154 1.00 0.00 C ATOM 2028 CD GLN A 125 2.259 -16.872 12.254 1.00 0.00 C ATOM 2029 OE1 GLN A 125 2.954 -16.205 13.021 1.00 0.00 O ATOM 2030 NE2 GLN A 125 2.168 -18.194 12.336 1.00 0.00 N ATOM 0 H GLN A 125 2.351 -14.823 7.690 1.00 0.00 H new ATOM 0 HA GLN A 125 0.302 -14.255 9.680 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.129 -15.123 10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.124 -14.199 11.475 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.453 -15.990 11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.347 -16.898 10.319 1.00 0.00 H new ATOM 0 HE21 GLN A 125 1.580 -18.706 11.679 1.00 0.00 H new ATOM 0 HE22 GLN A 125 2.686 -18.697 13.056 1.00 0.00 H new ATOM 2039 N MET A 126 1.571 -11.988 10.189 1.00 0.00 N ATOM 2040 CA MET A 126 1.990 -10.595 10.095 1.00 0.00 C ATOM 2041 C MET A 126 3.473 -10.450 10.421 1.00 0.00 C ATOM 2042 O MET A 126 3.946 -10.958 11.437 1.00 0.00 O ATOM 2043 CB MET A 126 1.160 -9.725 11.041 1.00 0.00 C ATOM 2044 CG MET A 126 1.239 -8.240 10.727 1.00 0.00 C ATOM 2045 SD MET A 126 -0.247 -7.346 11.219 1.00 0.00 S ATOM 2046 CE MET A 126 -0.681 -6.535 9.682 1.00 0.00 C ATOM 0 H MET A 126 1.042 -12.213 11.031 1.00 0.00 H new ATOM 0 HA MET A 126 1.827 -10.261 9.070 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.118 -10.043 10.994 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.498 -9.890 12.064 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.102 -7.810 11.236 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.401 -8.107 9.657 1.00 0.00 H new ATOM 0 HE1 MET A 126 -1.171 -5.586 9.897 1.00 0.00 H new ATOM 0 HE2 MET A 126 0.222 -6.353 9.099 1.00 0.00 H new ATOM 0 HE3 MET A 126 -1.358 -7.172 9.113 1.00 0.00 H new ATOM 2056 N GLN A 127 4.200 -9.754 9.553 1.00 0.00 N ATOM 2057 CA GLN A 127 5.630 -9.544 9.750 1.00 0.00 C ATOM 2058 C GLN A 127 6.034 -8.132 9.339 1.00 0.00 C ATOM 2059 O GLN A 127 5.795 -7.711 8.207 1.00 0.00 O ATOM 2060 CB GLN A 127 6.432 -10.571 8.950 1.00 0.00 C ATOM 2061 CG GLN A 127 5.783 -11.945 8.899 1.00 0.00 C ATOM 2062 CD GLN A 127 5.610 -12.560 10.273 1.00 0.00 C ATOM 2063 OE1 GLN A 127 4.660 -13.480 10.395 1.00 0.00 O flip ATOM 2064 NE2 GLN A 127 6.321 -12.212 11.216 1.00 0.00 N flip ATOM 0 H GLN A 127 3.823 -9.326 8.707 1.00 0.00 H new ATOM 0 HA GLN A 127 5.848 -9.670 10.810 1.00 0.00 H new ATOM 0 HB2 GLN A 127 6.565 -10.203 7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.426 -10.664 9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 127 4.809 -11.865 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 127 6.391 -12.607 8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.039 -11.501 11.078 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.192 -12.635 12.135 1.00 0.00 H new ATOM 2073 N THR A 128 6.649 -7.404 10.266 1.00 0.00 N ATOM 2074 CA THR A 128 7.086 -6.039 10.001 1.00 0.00 C ATOM 2075 C THR A 128 8.329 -6.021 9.119 1.00 0.00 C ATOM 2076 O THR A 128 9.213 -6.867 9.258 1.00 0.00 O ATOM 2077 CB THR A 128 7.386 -5.282 11.308 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.206 -5.211 12.116 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.891 -3.877 11.015 1.00 0.00 C ATOM 0 H THR A 128 6.856 -7.737 11.208 1.00 0.00 H new ATOM 0 HA THR A 128 6.268 -5.540 9.481 1.00 0.00 H new ATOM 0 HB THR A 128 8.162 -5.826 11.847 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.406 -4.730 12.946 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.096 -3.361 11.953 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.806 -3.935 10.425 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.133 -3.327 10.457 1.00 0.00 H new ATOM 2087 N PHE A 129 8.391 -5.052 8.212 1.00 0.00 N ATOM 2088 CA PHE A 129 9.527 -4.924 7.307 1.00 0.00 C ATOM 2089 C PHE A 129 10.131 -3.525 7.386 1.00 0.00 C ATOM 2090 O PHE A 129 9.411 -2.528 7.414 1.00 0.00 O ATOM 2091 CB PHE A 129 9.098 -5.226 5.870 1.00 0.00 C ATOM 2092 CG PHE A 129 9.018 -6.694 5.563 1.00 0.00 C ATOM 2093 CD1 PHE A 129 7.873 -7.416 5.858 1.00 0.00 C ATOM 2094 CD2 PHE A 129 10.089 -7.353 4.981 1.00 0.00 C ATOM 2095 CE1 PHE A 129 7.796 -8.767 5.576 1.00 0.00 C ATOM 2096 CE2 PHE A 129 10.018 -8.704 4.698 1.00 0.00 C ATOM 2097 CZ PHE A 129 8.871 -9.412 4.997 1.00 0.00 C ATOM 0 H PHE A 129 7.668 -4.344 8.084 1.00 0.00 H new ATOM 0 HA PHE A 129 10.285 -5.645 7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.124 -4.771 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 129 9.803 -4.757 5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.030 -6.917 6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 129 10.989 -6.805 4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.896 -9.317 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.859 -9.206 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.815 -10.468 4.778 1.00 0.00 H new ATOM 2107 N TRP A 130 11.457 -3.462 7.423 1.00 0.00 N ATOM 2108 CA TRP A 130 12.159 -2.185 7.500 1.00 0.00 C ATOM 2109 C TRP A 130 13.161 -2.045 6.359 1.00 0.00 C ATOM 2110 O TRP A 130 14.213 -2.685 6.362 1.00 0.00 O ATOM 2111 CB TRP A 130 12.877 -2.055 8.845 1.00 0.00 C ATOM 2112 CG TRP A 130 11.989 -1.560 9.946 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.342 -2.317 10.880 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.649 -0.198 10.226 1.00 0.00 C ATOM 2115 NE1 TRP A 130 10.620 -1.508 11.724 1.00 0.00 N ATOM 2116 CE2 TRP A 130 10.793 -0.203 11.345 1.00 0.00 C ATOM 2117 CE3 TRP A 130 11.986 1.027 9.643 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.270 0.967 11.888 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.466 2.188 10.183 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.616 2.152 11.296 1.00 0.00 C ATOM 0 H TRP A 130 12.068 -4.279 7.401 1.00 0.00 H new ATOM 0 HA TRP A 130 11.422 -1.387 7.411 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.286 -3.026 9.126 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.721 -1.374 8.734 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.391 -3.394 10.946 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.048 -1.827 12.506 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.641 1.065 8.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.614 0.941 12.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.719 3.140 9.739 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.226 3.077 11.695 1.00 0.00 H new ATOM 2131 N LYS A 131 12.828 -1.206 5.385 1.00 0.00 N ATOM 2132 CA LYS A 131 13.700 -0.980 4.238 1.00 0.00 C ATOM 2133 C LYS A 131 13.958 0.510 4.036 1.00 0.00 C ATOM 2134 O LYS A 131 13.193 1.352 4.506 1.00 0.00 O ATOM 2135 CB LYS A 131 13.077 -1.577 2.974 1.00 0.00 C ATOM 2136 CG LYS A 131 12.538 -2.984 3.167 1.00 0.00 C ATOM 2137 CD LYS A 131 13.650 -4.019 3.122 1.00 0.00 C ATOM 2138 CE LYS A 131 13.098 -5.420 2.911 1.00 0.00 C ATOM 2139 NZ LYS A 131 13.967 -6.457 3.533 1.00 0.00 N ATOM 0 H LYS A 131 11.960 -0.671 5.366 1.00 0.00 H new ATOM 0 HA LYS A 131 14.653 -1.472 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.267 -0.930 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.825 -1.589 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.019 -3.048 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.804 -3.203 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.344 -3.775 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.217 -3.986 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.096 -5.483 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.005 -5.617 1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.557 -7.398 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 14.916 -6.414 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.035 -6.284 4.556 1.00 0.00 H new ATOM 2153 N ASP A 132 15.039 0.827 3.332 1.00 0.00 N ATOM 2154 CA ASP A 132 15.396 2.216 3.065 1.00 0.00 C ATOM 2155 C ASP A 132 14.947 2.634 1.668 1.00 0.00 C ATOM 2156 O ASP A 132 15.507 2.189 0.665 1.00 0.00 O ATOM 2157 CB ASP A 132 16.906 2.413 3.208 1.00 0.00 C ATOM 2158 CG ASP A 132 17.701 1.420 2.383 1.00 0.00 C ATOM 2159 OD1 ASP A 132 18.000 1.728 1.210 1.00 0.00 O ATOM 2160 OD2 ASP A 132 18.024 0.336 2.910 1.00 0.00 O ATOM 0 H ASP A 132 15.683 0.142 2.936 1.00 0.00 H new ATOM 0 HA ASP A 132 14.884 2.843 3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.168 3.426 2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.184 2.314 4.257 1.00 0.00 H new ATOM 2165 N LEU A 133 13.933 3.489 1.610 1.00 0.00 N ATOM 2166 CA LEU A 133 13.407 3.967 0.335 1.00 0.00 C ATOM 2167 C LEU A 133 14.527 4.145 -0.684 1.00 0.00 C ATOM 2168 O LEU A 133 15.347 5.056 -0.569 1.00 0.00 O ATOM 2169 CB LEU A 133 12.665 5.291 0.531 1.00 0.00 C ATOM 2170 CG LEU A 133 11.500 5.267 1.521 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.158 6.677 1.976 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.284 4.596 0.898 1.00 0.00 C ATOM 0 H LEU A 133 13.458 3.866 2.430 1.00 0.00 H new ATOM 0 HA LEU A 133 12.710 3.220 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.383 6.041 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.286 5.619 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 133 11.802 4.688 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.327 6.641 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 133 12.026 7.123 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.876 7.280 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.465 4.588 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 133 9.980 5.147 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.535 3.572 0.622 1.00 0.00 H new ATOM 2184 N LYS A 134 14.556 3.269 -1.683 1.00 0.00 N ATOM 2185 CA LYS A 134 15.573 3.330 -2.726 1.00 0.00 C ATOM 2186 C LYS A 134 15.453 4.621 -3.528 1.00 0.00 C ATOM 2187 O LYS A 134 14.405 5.267 -3.557 1.00 0.00 O ATOM 2188 CB LYS A 134 15.449 2.124 -3.659 1.00 0.00 C ATOM 2189 CG LYS A 134 16.156 0.881 -3.144 1.00 0.00 C ATOM 2190 CD LYS A 134 17.641 0.911 -3.466 1.00 0.00 C ATOM 2191 CE LYS A 134 18.285 -0.450 -3.247 1.00 0.00 C ATOM 2192 NZ LYS A 134 17.994 -1.388 -4.366 1.00 0.00 N ATOM 0 H LYS A 134 13.886 2.508 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 134 16.551 3.311 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.393 1.896 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.858 2.386 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 134 16.018 0.803 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.704 -0.006 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 134 17.784 1.220 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 134 18.135 1.654 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 134 19.364 -0.329 -3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 134 17.923 -0.877 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 18.450 -2.304 -4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 16.966 -1.523 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 18.362 -0.993 -5.255 1.00 0.00 H new ATOM 2206 N PRO A 135 16.549 5.008 -4.198 1.00 0.00 N ATOM 2207 CA PRO A 135 16.590 6.224 -5.015 1.00 0.00 C ATOM 2208 C PRO A 135 15.743 6.103 -6.277 1.00 0.00 C ATOM 2209 O PRO A 135 16.154 5.480 -7.255 1.00 0.00 O ATOM 2210 CB PRO A 135 18.071 6.359 -5.376 1.00 0.00 C ATOM 2211 CG PRO A 135 18.607 4.971 -5.301 1.00 0.00 C ATOM 2212 CD PRO A 135 17.833 4.287 -4.209 1.00 0.00 C ATOM 0 HA PRO A 135 16.187 7.086 -4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 135 18.199 6.779 -6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.589 7.021 -4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.482 4.452 -6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.674 4.976 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.696 3.226 -4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.343 4.360 -3.249 1.00 0.00 H new ATOM 2220 N SER A 136 14.557 6.704 -6.248 1.00 0.00 N ATOM 2221 CA SER A 136 13.650 6.661 -7.389 1.00 0.00 C ATOM 2222 C SER A 136 13.892 7.845 -8.320 1.00 0.00 C ATOM 2223 O SER A 136 14.006 8.986 -7.875 1.00 0.00 O ATOM 2224 CB SER A 136 12.197 6.660 -6.913 1.00 0.00 C ATOM 2225 OG SER A 136 11.347 6.046 -7.867 1.00 0.00 O ATOM 0 H SER A 136 14.202 7.226 -5.447 1.00 0.00 H new ATOM 0 HA SER A 136 13.844 5.741 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.123 6.132 -5.962 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.869 7.684 -6.735 1.00 0.00 H new ATOM 0 HG SER A 136 10.424 6.057 -7.538 1.00 0.00 H new