USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 978 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 123 CYS SG : rot -162:sc= -2.94 USER MOD Set 1.2: A 128 CYS SG : rot -16:sc= 0.496 USER MOD Set 1.3: A 141 HIS : no HD1:sc= -4.2! C(o=-17!,f=-20!) USER MOD Set 1.4: A 142 MET CE :methyl -142:sc= -1.87 (180deg=-0.318) USER MOD Set 1.5: A 145 HIS : no HE2:sc= -8.94! C(o=-17!,f=-20!) USER MOD Set 2.1: A 93 CYS SG : rot 131:sc= -0.843 USER MOD Set 2.2: A 98 CYS SG : rot -173:sc= -0.754 USER MOD Set 2.3: A 111 HIS : no HE2:sc= -4.1! C(o=-5.7!,f=-4.9!) USER MOD Set 3.1: A 60 CYS SG : rot -132:sc= 0.514 USER MOD Set 3.2: A 65 CYS SG : rot 88:sc= -1.57 USER MOD Set 3.3: A 81 HIS : no HE2:sc= -0.386 K(o=-8.3,f=-12) USER MOD Set 3.4: A 85 HIS : no HE2:sc= -6.86! C(o=-8.3!,f=-12!) USER MOD Set 4.1: A 16 CYS SG : rot -46:sc= -1.05 USER MOD Set 4.2: A 31 CYS SG : rot -124:sc= 0.0914 USER MOD Set 4.3: A 44 HIS : no HD1:sc= -7.76! C(o=-18!,f=-21!) USER MOD Set 4.4: A 49 HIS : no HD1:sc= -9.65! C(o=-18!,f=-17!) USER MOD Single : A 12 GLN : amide:sc=-0.00512 X(o=-0.0051,f=-0.13) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -4.98! C(o=-5!,f=-9.9!) USER MOD Single : A 25 SER OG : rot 140:sc= -0.0569 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -1.97! (180deg=-2.32!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -100:sc= -0.903 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.343 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 38 MET CE :methyl -179:sc= -3.06 (180deg=-3.09) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 79:sc= 0.385 USER MOD Single : A 46 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -3.92! C(o=-3.9!,f=-7.2!) USER MOD Single : A 56 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.8!) USER MOD Single : A 57 ASN : amide:sc= -0.0447 K(o=-0.045,f=-0.96) USER MOD Single : A 58 HIS : no HD1:sc= -4.29! X(o=-4.3!,f=-3.9) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -149:sc= -0.215 (180deg=-0.471) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 86 THR OG1 : rot -73:sc= 0.261 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0.00544 USER MOD Single : A 107 ASN : amide:sc= -2.42 K(o=-2.4,f=-0.78) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00502) USER MOD Single : A 134 ASN : amide:sc= -4.27! C(o=-4.3!,f=-3.7!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 169:sc= -0.0769 (180deg=-0.364) USER MOD Single : A 143 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 138 N GLN A 12 -9.921 7.026 -33.659 1.00 0.00 N ATOM 139 CA GLN A 12 -9.249 6.674 -32.414 1.00 0.00 C ATOM 140 C GLN A 12 -9.842 7.446 -31.239 1.00 0.00 C ATOM 141 O GLN A 12 -10.242 8.601 -31.382 1.00 0.00 O ATOM 142 CB GLN A 12 -7.750 6.957 -32.521 1.00 0.00 C ATOM 143 CG GLN A 12 -6.943 5.777 -33.037 1.00 0.00 C ATOM 144 CD GLN A 12 -6.544 4.816 -31.935 1.00 0.00 C ATOM 145 OE1 GLN A 12 -5.963 5.217 -30.926 1.00 0.00 O ATOM 146 NE2 GLN A 12 -6.853 3.539 -32.122 1.00 0.00 N ATOM 0 HA GLN A 12 -9.398 5.609 -32.238 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.596 7.809 -33.183 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.372 7.244 -31.540 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.527 5.242 -33.786 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.046 6.145 -33.535 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.335 3.250 -32.973 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.609 2.846 -31.414 1.00 0.00 H new ATOM 155 N GLU A 13 -9.896 6.799 -30.079 1.00 0.00 N ATOM 156 CA GLU A 13 -10.442 7.425 -28.881 1.00 0.00 C ATOM 157 C GLU A 13 -9.323 7.923 -27.970 1.00 0.00 C ATOM 158 O GLU A 13 -8.526 7.136 -27.459 1.00 0.00 O ATOM 159 CB GLU A 13 -11.330 6.437 -28.122 1.00 0.00 C ATOM 160 CG GLU A 13 -10.564 5.279 -27.505 1.00 0.00 C ATOM 161 CD GLU A 13 -11.430 4.052 -27.297 1.00 0.00 C ATOM 162 OE1 GLU A 13 -11.723 3.356 -28.291 1.00 0.00 O ATOM 163 OE2 GLU A 13 -11.814 3.787 -26.138 1.00 0.00 O ATOM 0 H GLU A 13 -9.569 5.843 -29.944 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.044 8.280 -29.190 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.862 6.971 -27.334 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.083 6.041 -28.803 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.723 5.021 -28.148 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.148 5.592 -26.547 1.00 0.00 H new ATOM 170 N LEU A 14 -9.271 9.236 -27.771 1.00 0.00 N ATOM 171 CA LEU A 14 -8.250 9.841 -26.923 1.00 0.00 C ATOM 172 C LEU A 14 -8.847 10.297 -25.595 1.00 0.00 C ATOM 173 O LEU A 14 -10.066 10.345 -25.435 1.00 0.00 O ATOM 174 CB LEU A 14 -7.602 11.027 -27.638 1.00 0.00 C ATOM 175 CG LEU A 14 -7.452 10.896 -29.154 1.00 0.00 C ATOM 176 CD1 LEU A 14 -6.914 12.187 -29.751 1.00 0.00 C ATOM 177 CD2 LEU A 14 -6.542 9.726 -29.501 1.00 0.00 C ATOM 0 H LEU A 14 -9.924 9.901 -28.185 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.488 9.088 -26.719 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.192 11.919 -27.427 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.614 11.189 -27.208 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.436 10.705 -29.582 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.814 12.075 -30.831 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.603 13.003 -29.533 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.939 12.410 -29.318 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.447 9.648 -30.584 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.558 9.887 -29.061 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.969 8.804 -29.107 1.00 0.00 H new ATOM 189 N SER A 15 -7.979 10.634 -24.647 1.00 0.00 N ATOM 190 CA SER A 15 -8.419 11.086 -23.332 1.00 0.00 C ATOM 191 C SER A 15 -7.497 12.176 -22.795 1.00 0.00 C ATOM 192 O SER A 15 -6.287 12.148 -23.020 1.00 0.00 O ATOM 193 CB SER A 15 -8.462 9.911 -22.354 1.00 0.00 C ATOM 194 OG SER A 15 -9.408 8.938 -22.765 1.00 0.00 O ATOM 0 H SER A 15 -6.966 10.603 -24.765 1.00 0.00 H new ATOM 0 HA SER A 15 -9.422 11.501 -23.435 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.474 9.455 -22.285 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.717 10.272 -21.358 1.00 0.00 H new ATOM 0 HG SER A 15 -9.415 8.197 -22.124 1.00 0.00 H new ATOM 200 N CYS A 16 -8.079 13.136 -22.084 1.00 0.00 N ATOM 201 CA CYS A 16 -7.312 14.237 -21.514 1.00 0.00 C ATOM 202 C CYS A 16 -7.503 14.308 -20.001 1.00 0.00 C ATOM 203 O CYS A 16 -8.524 14.793 -19.515 1.00 0.00 O ATOM 204 CB CYS A 16 -7.730 15.563 -22.154 1.00 0.00 C ATOM 205 SG CYS A 16 -7.618 16.996 -21.036 1.00 0.00 S ATOM 0 H CYS A 16 -9.079 13.174 -21.889 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.257 14.057 -21.722 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.103 15.747 -23.026 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.756 15.474 -22.512 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.138 16.690 -19.884 1.00 0.00 H new ATOM 210 N LYS A 17 -6.512 13.820 -19.262 1.00 0.00 N ATOM 211 CA LYS A 17 -6.568 13.829 -17.805 1.00 0.00 C ATOM 212 C LYS A 17 -5.911 15.085 -17.243 1.00 0.00 C ATOM 213 O LYS A 17 -4.688 15.157 -17.124 1.00 0.00 O ATOM 214 CB LYS A 17 -5.879 12.584 -17.241 1.00 0.00 C ATOM 215 CG LYS A 17 -6.213 11.309 -17.997 1.00 0.00 C ATOM 216 CD LYS A 17 -7.709 11.044 -18.012 1.00 0.00 C ATOM 217 CE LYS A 17 -8.146 10.250 -16.791 1.00 0.00 C ATOM 218 NZ LYS A 17 -8.060 8.782 -17.023 1.00 0.00 N ATOM 0 H LYS A 17 -5.660 13.413 -19.649 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.616 13.824 -17.506 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.800 12.736 -17.260 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.165 12.463 -16.196 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.846 11.385 -19.021 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.698 10.466 -17.536 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.247 11.991 -18.043 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.974 10.497 -18.917 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.521 10.520 -15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.171 10.517 -16.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.366 8.277 -16.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.676 8.520 -17.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.078 8.523 -17.245 1.00 0.00 H new ATOM 232 N TRP A 18 -6.731 16.071 -16.897 1.00 0.00 N ATOM 233 CA TRP A 18 -6.229 17.324 -16.345 1.00 0.00 C ATOM 234 C TRP A 18 -6.523 17.418 -14.852 1.00 0.00 C ATOM 235 O TRP A 18 -7.672 17.597 -14.447 1.00 0.00 O ATOM 236 CB TRP A 18 -6.852 18.514 -17.077 1.00 0.00 C ATOM 237 CG TRP A 18 -6.126 19.804 -16.840 1.00 0.00 C ATOM 238 CD1 TRP A 18 -6.146 20.559 -15.703 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.275 20.489 -17.765 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.359 21.673 -15.864 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.812 21.653 -17.120 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.856 20.232 -19.073 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -3.954 22.557 -17.742 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -4.005 21.130 -19.688 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.560 22.280 -19.023 1.00 0.00 C ATOM 0 H TRP A 18 -7.746 16.027 -16.989 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.148 17.346 -16.485 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.868 18.306 -18.147 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.889 18.625 -16.759 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.700 20.316 -14.808 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.207 22.398 -15.162 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.191 19.347 -19.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.612 23.445 -17.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.677 20.942 -20.700 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.893 22.961 -19.531 1.00 0.00 H new ATOM 256 N ILE A 19 -5.480 17.298 -14.039 1.00 0.00 N ATOM 257 CA ILE A 19 -5.628 17.371 -12.591 1.00 0.00 C ATOM 258 C ILE A 19 -4.995 18.643 -12.037 1.00 0.00 C ATOM 259 O ILE A 19 -3.774 18.740 -11.917 1.00 0.00 O ATOM 260 CB ILE A 19 -4.993 16.151 -11.897 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.625 14.857 -12.414 1.00 0.00 C ATOM 262 CG2 ILE A 19 -5.151 16.258 -10.388 1.00 0.00 C ATOM 263 CD1 ILE A 19 -5.381 13.665 -11.515 1.00 0.00 C ATOM 0 H ILE A 19 -4.523 17.150 -14.358 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.698 17.380 -12.384 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.928 16.132 -12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.699 15.005 -12.524 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.230 14.640 -13.407 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.697 15.389 -9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.659 17.164 -10.034 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.210 16.298 -10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.857 12.783 -11.943 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.309 13.491 -11.425 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.801 13.861 -10.528 1.00 0.00 H new ATOM 275 N ASP A 20 -5.834 19.615 -11.698 1.00 0.00 N ATOM 276 CA ASP A 20 -5.357 20.881 -11.153 1.00 0.00 C ATOM 277 C ASP A 20 -4.900 20.713 -9.708 1.00 0.00 C ATOM 278 O ASP A 20 -5.549 20.028 -8.918 1.00 0.00 O ATOM 279 CB ASP A 20 -6.457 21.942 -11.233 1.00 0.00 C ATOM 280 CG ASP A 20 -6.405 22.733 -12.525 1.00 0.00 C ATOM 281 OD1 ASP A 20 -6.810 22.187 -13.572 1.00 0.00 O ATOM 282 OD2 ASP A 20 -5.958 23.899 -12.490 1.00 0.00 O ATOM 0 H ASP A 20 -6.848 19.551 -11.791 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.504 21.207 -11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.430 21.459 -11.145 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.362 22.624 -10.388 1.00 0.00 H new ATOM 287 N GLU A 21 -3.779 21.342 -9.370 1.00 0.00 N ATOM 288 CA GLU A 21 -3.234 21.259 -8.020 1.00 0.00 C ATOM 289 C GLU A 21 -4.270 21.696 -6.988 1.00 0.00 C ATOM 290 O GLU A 21 -4.816 20.873 -6.255 1.00 0.00 O ATOM 291 CB GLU A 21 -1.979 22.127 -7.898 1.00 0.00 C ATOM 292 CG GLU A 21 -0.927 21.826 -8.952 1.00 0.00 C ATOM 293 CD GLU A 21 0.483 22.089 -8.460 1.00 0.00 C ATOM 294 OE1 GLU A 21 0.639 22.475 -7.283 1.00 0.00 O ATOM 295 OE2 GLU A 21 1.431 21.908 -9.253 1.00 0.00 O ATOM 0 H GLU A 21 -3.231 21.914 -10.012 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.968 20.220 -7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.265 23.176 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.543 21.983 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.013 20.783 -9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.119 22.434 -9.836 1.00 0.00 H new ATOM 302 N ALA A 22 -4.534 22.998 -6.938 1.00 0.00 N ATOM 303 CA ALA A 22 -5.504 23.545 -5.997 1.00 0.00 C ATOM 304 C ALA A 22 -6.918 23.476 -6.565 1.00 0.00 C ATOM 305 O ALA A 22 -7.698 24.417 -6.426 1.00 0.00 O ATOM 306 CB ALA A 22 -5.144 24.980 -5.643 1.00 0.00 C ATOM 0 H ALA A 22 -4.090 23.693 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.475 22.941 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.877 25.376 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.154 25.005 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.143 25.589 -6.547 1.00 0.00 H new ATOM 312 N GLN A 23 -7.239 22.357 -7.206 1.00 0.00 N ATOM 313 CA GLN A 23 -8.559 22.168 -7.796 1.00 0.00 C ATOM 314 C GLN A 23 -9.649 22.257 -6.733 1.00 0.00 C ATOM 315 O GLN A 23 -9.394 22.037 -5.548 1.00 0.00 O ATOM 316 CB GLN A 23 -8.634 20.816 -8.508 1.00 0.00 C ATOM 317 CG GLN A 23 -8.271 19.639 -7.617 1.00 0.00 C ATOM 318 CD GLN A 23 -8.654 18.305 -8.227 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.597 17.652 -7.779 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.924 17.893 -9.257 1.00 0.00 N ATOM 0 H GLN A 23 -6.604 21.568 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.721 22.963 -8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.644 20.672 -8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.965 20.830 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.198 19.651 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.769 19.750 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.151 18.466 -9.596 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.136 17.004 -9.709 1.00 0.00 H new ATOM 329 N LEU A 24 -10.863 22.581 -7.163 1.00 0.00 N ATOM 330 CA LEU A 24 -11.993 22.700 -6.248 1.00 0.00 C ATOM 331 C LEU A 24 -12.621 21.336 -5.978 1.00 0.00 C ATOM 332 O LEU A 24 -13.527 21.211 -5.155 1.00 0.00 O ATOM 333 CB LEU A 24 -13.042 23.653 -6.822 1.00 0.00 C ATOM 334 CG LEU A 24 -13.896 24.405 -5.800 1.00 0.00 C ATOM 335 CD1 LEU A 24 -13.030 24.938 -4.670 1.00 0.00 C ATOM 336 CD2 LEU A 24 -14.656 25.539 -6.473 1.00 0.00 C ATOM 0 H LEU A 24 -11.091 22.766 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.624 23.103 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.534 24.385 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.706 23.082 -7.471 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.620 23.709 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.655 25.470 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.531 24.107 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.282 25.619 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.259 26.064 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.948 26.235 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.307 25.132 -7.247 1.00 0.00 H new ATOM 348 N SER A 25 -12.132 20.316 -6.677 1.00 0.00 N ATOM 349 CA SER A 25 -12.647 18.962 -6.515 1.00 0.00 C ATOM 350 C SER A 25 -11.685 18.110 -5.692 1.00 0.00 C ATOM 351 O SER A 25 -10.484 18.375 -5.652 1.00 0.00 O ATOM 352 CB SER A 25 -12.877 18.314 -7.882 1.00 0.00 C ATOM 353 OG SER A 25 -13.416 17.011 -7.744 1.00 0.00 O ATOM 0 H SER A 25 -11.380 20.402 -7.361 1.00 0.00 H new ATOM 0 HA SER A 25 -13.597 19.022 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.555 18.931 -8.471 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.935 18.265 -8.428 1.00 0.00 H new ATOM 0 HG SER A 25 -14.101 16.866 -8.430 1.00 0.00 H new ATOM 359 N ARG A 26 -12.224 17.087 -5.036 1.00 0.00 N ATOM 360 CA ARG A 26 -11.415 16.197 -4.212 1.00 0.00 C ATOM 361 C ARG A 26 -12.049 14.812 -4.123 1.00 0.00 C ATOM 362 O ARG A 26 -13.267 14.666 -4.010 1.00 0.00 O ATOM 363 CB ARG A 26 -11.242 16.782 -2.809 1.00 0.00 C ATOM 364 CG ARG A 26 -10.615 15.814 -1.819 1.00 0.00 C ATOM 365 CD ARG A 26 -9.121 16.057 -1.674 1.00 0.00 C ATOM 366 NE ARG A 26 -8.436 14.913 -1.078 1.00 0.00 N ATOM 367 CZ ARG A 26 -7.191 14.961 -0.616 1.00 0.00 C ATOM 368 NH1 ARG A 26 -6.500 16.091 -0.679 1.00 0.00 N ATOM 369 NH2 ARG A 26 -6.637 13.877 -0.088 1.00 0.00 N ATOM 0 H ARG A 26 -13.217 16.854 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.436 16.100 -4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.623 17.677 -2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.216 17.094 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.098 15.921 -0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.788 14.790 -2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.691 16.267 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.956 16.940 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.941 14.029 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.924 16.926 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.545 16.125 -0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.167 13.007 -0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.681 13.914 0.267 1.00 0.00 H new ATOM 383 N PRO A 27 -11.207 13.770 -4.176 1.00 0.00 N ATOM 384 CA PRO A 27 -9.756 13.931 -4.312 1.00 0.00 C ATOM 385 C PRO A 27 -9.356 14.450 -5.689 1.00 0.00 C ATOM 386 O PRO A 27 -10.189 14.555 -6.590 1.00 0.00 O ATOM 387 CB PRO A 27 -9.220 12.514 -4.098 1.00 0.00 C ATOM 388 CG PRO A 27 -10.348 11.620 -4.485 1.00 0.00 C ATOM 389 CD PRO A 27 -11.605 12.354 -4.109 1.00 0.00 C ATOM 0 HA PRO A 27 -9.360 14.662 -3.607 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.338 12.327 -4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.926 12.354 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.327 11.405 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.284 10.664 -3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.421 12.133 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.947 12.080 -3.111 1.00 0.00 H new ATOM 397 N LYS A 28 -8.077 14.773 -5.846 1.00 0.00 N ATOM 398 CA LYS A 28 -7.566 15.279 -7.114 1.00 0.00 C ATOM 399 C LYS A 28 -8.052 14.422 -8.278 1.00 0.00 C ATOM 400 O LYS A 28 -7.608 13.288 -8.456 1.00 0.00 O ATOM 401 CB LYS A 28 -6.036 15.311 -7.094 1.00 0.00 C ATOM 402 CG LYS A 28 -5.458 16.081 -5.920 1.00 0.00 C ATOM 403 CD LYS A 28 -5.186 17.531 -6.283 1.00 0.00 C ATOM 404 CE LYS A 28 -3.727 17.747 -6.655 1.00 0.00 C ATOM 405 NZ LYS A 28 -3.503 17.615 -8.122 1.00 0.00 N ATOM 0 H LYS A 28 -7.375 14.693 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.943 16.293 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.660 14.288 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.678 15.758 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.151 16.039 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.532 15.607 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.823 17.824 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.447 18.173 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.411 18.737 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.106 17.023 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.547 17.949 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.600 16.617 -8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.205 18.187 -8.633 1.00 0.00 H new ATOM 419 N LYS A 29 -8.966 14.972 -9.070 1.00 0.00 N ATOM 420 CA LYS A 29 -9.511 14.260 -10.220 1.00 0.00 C ATOM 421 C LYS A 29 -9.019 14.876 -11.525 1.00 0.00 C ATOM 422 O LYS A 29 -8.492 15.988 -11.538 1.00 0.00 O ATOM 423 CB LYS A 29 -11.041 14.280 -10.179 1.00 0.00 C ATOM 424 CG LYS A 29 -11.633 15.678 -10.222 1.00 0.00 C ATOM 425 CD LYS A 29 -11.860 16.144 -11.650 1.00 0.00 C ATOM 426 CE LYS A 29 -12.813 15.220 -12.393 1.00 0.00 C ATOM 427 NZ LYS A 29 -13.491 15.915 -13.522 1.00 0.00 N ATOM 0 H LYS A 29 -9.345 15.909 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.165 13.227 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.426 13.706 -11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.378 13.780 -9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.578 15.690 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.965 16.373 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.264 17.156 -11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.906 16.185 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.262 14.360 -12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.562 14.837 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.132 15.252 -14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.037 16.721 -13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.778 16.258 -14.197 1.00 0.00 H new ATOM 441 N SER A 30 -9.195 14.146 -12.622 1.00 0.00 N ATOM 442 CA SER A 30 -8.766 14.620 -13.933 1.00 0.00 C ATOM 443 C SER A 30 -9.968 14.889 -14.833 1.00 0.00 C ATOM 444 O SER A 30 -11.001 14.229 -14.723 1.00 0.00 O ATOM 445 CB SER A 30 -7.841 13.596 -14.592 1.00 0.00 C ATOM 446 OG SER A 30 -8.577 12.499 -15.105 1.00 0.00 O ATOM 0 H SER A 30 -9.632 13.224 -12.629 1.00 0.00 H new ATOM 0 HA SER A 30 -8.221 15.554 -13.794 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.282 14.072 -15.398 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.111 13.240 -13.865 1.00 0.00 H new ATOM 0 HG SER A 30 -8.520 11.746 -14.480 1.00 0.00 H new ATOM 452 N CYS A 31 -9.825 15.865 -15.724 1.00 0.00 N ATOM 453 CA CYS A 31 -10.897 16.224 -16.644 1.00 0.00 C ATOM 454 C CYS A 31 -11.374 15.004 -17.427 1.00 0.00 C ATOM 455 O CYS A 31 -10.570 14.179 -17.862 1.00 0.00 O ATOM 456 CB CYS A 31 -10.425 17.311 -17.612 1.00 0.00 C ATOM 457 SG CYS A 31 -11.155 17.193 -19.277 1.00 0.00 S ATOM 0 H CYS A 31 -8.976 16.421 -15.828 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.732 16.607 -16.057 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.665 18.287 -17.190 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.340 17.259 -17.698 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.206 17.130 -20.163 1.00 0.00 H new ATOM 462 N ASP A 32 -12.687 14.896 -17.602 1.00 0.00 N ATOM 463 CA ASP A 32 -13.271 13.778 -18.333 1.00 0.00 C ATOM 464 C ASP A 32 -13.723 14.214 -19.723 1.00 0.00 C ATOM 465 O ASP A 32 -14.536 15.128 -19.864 1.00 0.00 O ATOM 466 CB ASP A 32 -14.454 13.196 -17.558 1.00 0.00 C ATOM 467 CG ASP A 32 -14.885 11.843 -18.088 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.349 10.821 -17.611 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.759 11.806 -18.979 1.00 0.00 O ATOM 0 H ASP A 32 -13.366 15.569 -17.248 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.506 13.010 -18.444 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.184 13.102 -16.506 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.295 13.888 -17.611 1.00 0.00 H new ATOM 474 N ARG A 33 -13.190 13.556 -20.747 1.00 0.00 N ATOM 475 CA ARG A 33 -13.537 13.878 -22.126 1.00 0.00 C ATOM 476 C ARG A 33 -12.806 12.957 -23.100 1.00 0.00 C ATOM 477 O ARG A 33 -11.859 12.265 -22.725 1.00 0.00 O ATOM 478 CB ARG A 33 -13.195 15.337 -22.433 1.00 0.00 C ATOM 479 CG ARG A 33 -14.249 16.047 -23.267 1.00 0.00 C ATOM 480 CD ARG A 33 -13.628 16.770 -24.452 1.00 0.00 C ATOM 481 NE ARG A 33 -14.466 17.869 -24.923 1.00 0.00 N ATOM 482 CZ ARG A 33 -14.729 18.953 -24.203 1.00 0.00 C ATOM 483 NH1 ARG A 33 -14.222 19.083 -22.984 1.00 0.00 N ATOM 484 NH2 ARG A 33 -15.500 19.911 -24.700 1.00 0.00 N ATOM 0 H ARG A 33 -12.516 12.797 -20.648 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.610 13.730 -22.248 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.063 15.876 -21.495 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.241 15.375 -22.959 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.981 15.322 -23.624 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.786 16.762 -22.644 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.649 17.156 -24.168 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.468 16.062 -25.265 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.872 17.800 -25.856 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.628 18.349 -22.598 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.426 19.917 -22.433 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.892 19.816 -25.637 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.701 20.743 -24.145 1.00 0.00 H new ATOM 498 N THR A 34 -13.253 12.954 -24.352 1.00 0.00 N ATOM 499 CA THR A 34 -12.644 12.118 -25.378 1.00 0.00 C ATOM 500 C THR A 34 -12.676 12.806 -26.738 1.00 0.00 C ATOM 501 O THR A 34 -13.287 13.864 -26.896 1.00 0.00 O ATOM 502 CB THR A 34 -13.354 10.755 -25.488 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.742 10.899 -25.165 1.00 0.00 O ATOM 504 CG2 THR A 34 -12.714 9.735 -24.559 1.00 0.00 C ATOM 0 H THR A 34 -14.035 13.521 -24.679 1.00 0.00 H new ATOM 0 HA THR A 34 -11.608 11.956 -25.080 1.00 0.00 H new ATOM 0 HB THR A 34 -13.255 10.400 -26.514 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.187 10.029 -25.239 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.232 8.781 -24.654 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.665 9.607 -24.827 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.785 10.085 -23.529 1.00 0.00 H new ATOM 512 N PHE A 35 -12.016 12.199 -27.719 1.00 0.00 N ATOM 513 CA PHE A 35 -11.969 12.755 -29.067 1.00 0.00 C ATOM 514 C PHE A 35 -11.775 11.651 -30.103 1.00 0.00 C ATOM 515 O PHE A 35 -11.395 10.529 -29.767 1.00 0.00 O ATOM 516 CB PHE A 35 -10.839 13.780 -29.180 1.00 0.00 C ATOM 517 CG PHE A 35 -10.714 14.670 -27.976 1.00 0.00 C ATOM 518 CD1 PHE A 35 -10.264 14.163 -26.767 1.00 0.00 C ATOM 519 CD2 PHE A 35 -11.047 16.012 -28.052 1.00 0.00 C ATOM 520 CE1 PHE A 35 -10.149 14.979 -25.658 1.00 0.00 C ATOM 521 CE2 PHE A 35 -10.934 16.834 -26.946 1.00 0.00 C ATOM 522 CZ PHE A 35 -10.483 16.316 -25.748 1.00 0.00 C ATOM 0 H PHE A 35 -11.507 11.323 -27.606 1.00 0.00 H new ATOM 0 HA PHE A 35 -12.920 13.251 -29.262 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.896 13.254 -29.333 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.006 14.397 -30.063 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -10.000 13.118 -26.691 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.399 16.422 -28.987 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.798 14.572 -24.721 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -11.198 17.879 -27.019 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.392 16.956 -24.883 1.00 0.00 H new ATOM 532 N SER A 36 -12.039 11.979 -31.364 1.00 0.00 N ATOM 533 CA SER A 36 -11.897 11.016 -32.449 1.00 0.00 C ATOM 534 C SER A 36 -10.548 11.173 -33.143 1.00 0.00 C ATOM 535 O SER A 36 -9.976 10.204 -33.643 1.00 0.00 O ATOM 536 CB SER A 36 -13.029 11.190 -33.464 1.00 0.00 C ATOM 537 OG SER A 36 -12.966 12.462 -34.085 1.00 0.00 O ATOM 0 H SER A 36 -12.352 12.904 -31.659 1.00 0.00 H new ATOM 0 HA SER A 36 -11.951 10.015 -32.022 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.966 10.409 -34.221 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.991 11.073 -32.965 1.00 0.00 H new ATOM 0 HG SER A 36 -13.699 12.548 -34.730 1.00 0.00 H new ATOM 543 N THR A 37 -10.043 12.403 -33.170 1.00 0.00 N ATOM 544 CA THR A 37 -8.762 12.689 -33.803 1.00 0.00 C ATOM 545 C THR A 37 -7.815 13.389 -32.835 1.00 0.00 C ATOM 546 O THR A 37 -8.249 13.989 -31.852 1.00 0.00 O ATOM 547 CB THR A 37 -8.938 13.568 -35.056 1.00 0.00 C ATOM 548 OG1 THR A 37 -9.126 14.935 -34.673 1.00 0.00 O ATOM 549 CG2 THR A 37 -10.127 13.100 -35.882 1.00 0.00 C ATOM 0 H THR A 37 -10.502 13.217 -32.761 1.00 0.00 H new ATOM 0 HA THR A 37 -8.334 11.731 -34.097 1.00 0.00 H new ATOM 0 HB THR A 37 -8.037 13.482 -35.663 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.235 15.487 -35.475 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.232 13.735 -36.761 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.968 12.068 -36.196 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.034 13.160 -35.281 1.00 0.00 H new ATOM 557 N MET A 38 -6.519 13.307 -33.120 1.00 0.00 N ATOM 558 CA MET A 38 -5.510 13.935 -32.274 1.00 0.00 C ATOM 559 C MET A 38 -5.750 15.437 -32.165 1.00 0.00 C ATOM 560 O MET A 38 -5.882 15.977 -31.066 1.00 0.00 O ATOM 561 CB MET A 38 -4.110 13.669 -32.830 1.00 0.00 C ATOM 562 CG MET A 38 -2.995 14.229 -31.962 1.00 0.00 C ATOM 563 SD MET A 38 -3.200 13.820 -30.218 1.00 0.00 S ATOM 564 CE MET A 38 -3.487 12.054 -30.316 1.00 0.00 C ATOM 0 H MET A 38 -6.143 12.813 -33.929 1.00 0.00 H new ATOM 0 HA MET A 38 -5.586 13.500 -31.277 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.969 12.594 -32.939 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.036 14.103 -33.827 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.038 13.842 -32.312 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.961 15.313 -32.075 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.650 11.656 -29.315 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.366 11.862 -30.931 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.619 11.569 -30.762 1.00 0.00 H new ATOM 574 N HIS A 39 -5.805 16.108 -33.312 1.00 0.00 N ATOM 575 CA HIS A 39 -6.030 17.548 -33.345 1.00 0.00 C ATOM 576 C HIS A 39 -7.198 17.937 -32.443 1.00 0.00 C ATOM 577 O HIS A 39 -7.147 18.954 -31.751 1.00 0.00 O ATOM 578 CB HIS A 39 -6.300 18.011 -34.777 1.00 0.00 C ATOM 579 CG HIS A 39 -5.059 18.154 -35.604 1.00 0.00 C ATOM 580 ND1 HIS A 39 -4.491 17.105 -36.295 1.00 0.00 N ATOM 581 CD2 HIS A 39 -4.278 19.232 -35.850 1.00 0.00 C ATOM 582 CE1 HIS A 39 -3.413 17.532 -36.929 1.00 0.00 C ATOM 583 NE2 HIS A 39 -3.262 18.819 -36.676 1.00 0.00 N ATOM 0 H HIS A 39 -5.697 15.677 -34.230 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.130 18.040 -32.976 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.969 17.299 -35.260 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.820 18.968 -34.749 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.426 20.231 -35.468 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.765 16.930 -37.549 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.513 19.410 -37.036 1.00 0.00 H new ATOM 591 N GLU A 40 -8.247 17.122 -32.458 1.00 0.00 N ATOM 592 CA GLU A 40 -9.428 17.383 -31.643 1.00 0.00 C ATOM 593 C GLU A 40 -9.066 17.431 -30.161 1.00 0.00 C ATOM 594 O GLU A 40 -9.583 18.260 -29.411 1.00 0.00 O ATOM 595 CB GLU A 40 -10.490 16.308 -31.885 1.00 0.00 C ATOM 596 CG GLU A 40 -11.408 16.613 -33.057 1.00 0.00 C ATOM 597 CD GLU A 40 -12.395 17.723 -32.751 1.00 0.00 C ATOM 598 OE1 GLU A 40 -13.099 17.626 -31.724 1.00 0.00 O ATOM 599 OE2 GLU A 40 -12.463 18.690 -33.539 1.00 0.00 O ATOM 0 H GLU A 40 -8.304 16.276 -33.025 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.831 18.353 -31.933 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.995 15.353 -32.061 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.092 16.194 -30.983 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.806 16.895 -33.921 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.955 15.710 -33.330 1.00 0.00 H new ATOM 606 N LEU A 41 -8.175 16.537 -29.747 1.00 0.00 N ATOM 607 CA LEU A 41 -7.743 16.476 -28.355 1.00 0.00 C ATOM 608 C LEU A 41 -6.854 17.665 -28.007 1.00 0.00 C ATOM 609 O LEU A 41 -7.054 18.327 -26.989 1.00 0.00 O ATOM 610 CB LEU A 41 -6.993 15.169 -28.090 1.00 0.00 C ATOM 611 CG LEU A 41 -6.052 15.168 -26.884 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.842 15.296 -25.591 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.204 13.905 -26.871 1.00 0.00 C ATOM 0 H LEU A 41 -7.738 15.845 -30.355 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.631 16.513 -27.724 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.726 14.374 -27.954 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.413 14.920 -28.978 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.386 16.027 -26.965 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.156 15.293 -24.744 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.405 16.229 -25.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.532 14.457 -25.502 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.540 13.921 -26.006 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.853 13.031 -26.814 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.610 13.856 -27.783 1.00 0.00 H new ATOM 625 N VAL A 42 -5.872 17.933 -28.863 1.00 0.00 N ATOM 626 CA VAL A 42 -4.954 19.045 -28.648 1.00 0.00 C ATOM 627 C VAL A 42 -5.708 20.363 -28.514 1.00 0.00 C ATOM 628 O VAL A 42 -5.542 21.089 -27.534 1.00 0.00 O ATOM 629 CB VAL A 42 -3.937 19.163 -29.800 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.021 20.358 -29.583 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.131 17.880 -29.932 1.00 0.00 C ATOM 0 H VAL A 42 -5.692 17.395 -29.711 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.420 18.840 -27.720 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.484 19.319 -30.730 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.310 20.425 -30.406 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.616 21.270 -29.542 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.480 20.236 -28.645 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.418 17.981 -30.750 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.593 17.691 -29.003 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.804 17.047 -30.138 1.00 0.00 H new ATOM 641 N THR A 43 -6.540 20.666 -29.506 1.00 0.00 N ATOM 642 CA THR A 43 -7.321 21.897 -29.499 1.00 0.00 C ATOM 643 C THR A 43 -8.012 22.102 -28.156 1.00 0.00 C ATOM 644 O THR A 43 -8.270 23.234 -27.746 1.00 0.00 O ATOM 645 CB THR A 43 -8.382 21.895 -30.615 1.00 0.00 C ATOM 646 OG1 THR A 43 -7.745 21.874 -31.897 1.00 0.00 O ATOM 647 CG2 THR A 43 -9.281 23.118 -30.509 1.00 0.00 C ATOM 0 H THR A 43 -6.690 20.076 -30.324 1.00 0.00 H new ATOM 0 HA THR A 43 -6.623 22.716 -29.673 1.00 0.00 H new ATOM 0 HB THR A 43 -8.996 21.002 -30.501 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.451 20.962 -32.101 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.022 23.095 -31.308 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.787 23.115 -29.544 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.678 24.022 -30.600 1.00 0.00 H new ATOM 655 N HIS A 44 -8.310 21.000 -27.474 1.00 0.00 N ATOM 656 CA HIS A 44 -8.971 21.060 -26.175 1.00 0.00 C ATOM 657 C HIS A 44 -7.959 21.313 -25.062 1.00 0.00 C ATOM 658 O HIS A 44 -8.016 22.334 -24.376 1.00 0.00 O ATOM 659 CB HIS A 44 -9.730 19.761 -25.905 1.00 0.00 C ATOM 660 CG HIS A 44 -10.124 19.584 -24.471 1.00 0.00 C ATOM 661 ND1 HIS A 44 -11.330 20.017 -23.963 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.464 19.015 -23.436 1.00 0.00 C ATOM 663 CE1 HIS A 44 -11.394 19.724 -22.677 1.00 0.00 C ATOM 664 NE2 HIS A 44 -10.274 19.115 -22.332 1.00 0.00 N ATOM 0 H HIS A 44 -8.104 20.055 -27.799 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.679 21.888 -26.193 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.626 19.738 -26.525 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.110 18.918 -26.210 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.483 18.566 -23.472 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.222 19.945 -22.019 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.048 18.774 -21.398 1.00 0.00 H new ATOM 672 N VAL A 45 -7.033 20.375 -24.886 1.00 0.00 N ATOM 673 CA VAL A 45 -6.008 20.496 -23.856 1.00 0.00 C ATOM 674 C VAL A 45 -5.252 21.814 -23.985 1.00 0.00 C ATOM 675 O VAL A 45 -4.648 22.293 -23.025 1.00 0.00 O ATOM 676 CB VAL A 45 -5.003 19.331 -23.925 1.00 0.00 C ATOM 677 CG1 VAL A 45 -4.073 19.356 -22.722 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.735 18.001 -24.016 1.00 0.00 C ATOM 0 H VAL A 45 -6.972 19.523 -25.444 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.520 20.467 -22.894 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.398 19.449 -24.824 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.370 18.526 -22.788 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.523 20.297 -22.707 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.659 19.264 -21.807 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.010 17.189 -24.064 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.366 17.872 -23.137 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.355 17.987 -24.913 1.00 0.00 H new ATOM 688 N THR A 46 -5.289 22.397 -25.180 1.00 0.00 N ATOM 689 CA THR A 46 -4.607 23.659 -25.436 1.00 0.00 C ATOM 690 C THR A 46 -5.542 24.843 -25.219 1.00 0.00 C ATOM 691 O THR A 46 -5.252 25.738 -24.427 1.00 0.00 O ATOM 692 CB THR A 46 -4.049 23.715 -26.870 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.304 22.526 -27.153 1.00 0.00 O ATOM 694 CG2 THR A 46 -3.158 24.934 -27.057 1.00 0.00 C ATOM 0 H THR A 46 -5.784 22.015 -25.985 1.00 0.00 H new ATOM 0 HA THR A 46 -3.779 23.720 -24.730 1.00 0.00 H new ATOM 0 HB THR A 46 -4.889 23.789 -27.560 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.920 21.772 -27.261 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.776 24.952 -28.078 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.736 25.839 -26.870 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.323 24.885 -26.358 1.00 0.00 H new ATOM 702 N MET A 47 -6.666 24.841 -25.929 1.00 0.00 N ATOM 703 CA MET A 47 -7.645 25.915 -25.812 1.00 0.00 C ATOM 704 C MET A 47 -8.638 25.627 -24.690 1.00 0.00 C ATOM 705 O MET A 47 -8.885 26.476 -23.836 1.00 0.00 O ATOM 706 CB MET A 47 -8.392 26.099 -27.135 1.00 0.00 C ATOM 707 CG MET A 47 -7.488 26.048 -28.356 1.00 0.00 C ATOM 708 SD MET A 47 -8.277 26.717 -29.833 1.00 0.00 S ATOM 709 CE MET A 47 -6.913 27.617 -30.566 1.00 0.00 C ATOM 0 H MET A 47 -6.921 24.108 -26.591 1.00 0.00 H new ATOM 0 HA MET A 47 -7.111 26.835 -25.573 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.153 25.324 -27.224 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.913 27.056 -27.119 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.575 26.608 -28.151 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.193 25.015 -28.542 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.244 28.089 -31.491 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.567 28.383 -29.872 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.097 26.928 -30.782 1.00 0.00 H new ATOM 719 N GLU A 48 -9.203 24.423 -24.701 1.00 0.00 N ATOM 720 CA GLU A 48 -10.169 24.025 -23.684 1.00 0.00 C ATOM 721 C GLU A 48 -9.486 23.822 -22.334 1.00 0.00 C ATOM 722 O GLU A 48 -10.120 23.414 -21.360 1.00 0.00 O ATOM 723 CB GLU A 48 -10.885 22.740 -24.104 1.00 0.00 C ATOM 724 CG GLU A 48 -11.690 22.882 -25.385 1.00 0.00 C ATOM 725 CD GLU A 48 -13.044 23.526 -25.154 1.00 0.00 C ATOM 726 OE1 GLU A 48 -13.782 23.054 -24.265 1.00 0.00 O ATOM 727 OE2 GLU A 48 -13.364 24.503 -25.864 1.00 0.00 O ATOM 0 H GLU A 48 -9.009 23.708 -25.402 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.903 24.825 -23.584 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.147 21.949 -24.235 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.550 22.425 -23.300 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.125 23.479 -26.101 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.831 21.898 -25.832 1.00 0.00 H new ATOM 734 N HIS A 49 -8.189 24.108 -22.285 1.00 0.00 N ATOM 735 CA HIS A 49 -7.419 23.957 -21.056 1.00 0.00 C ATOM 736 C HIS A 49 -6.386 25.072 -20.922 1.00 0.00 C ATOM 737 O HIS A 49 -6.546 25.987 -20.114 1.00 0.00 O ATOM 738 CB HIS A 49 -6.724 22.596 -21.028 1.00 0.00 C ATOM 739 CG HIS A 49 -7.491 21.546 -20.284 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.703 21.593 -18.923 1.00 0.00 N ATOM 741 CD2 HIS A 49 -8.100 20.419 -20.720 1.00 0.00 C ATOM 742 CE1 HIS A 49 -8.408 20.538 -18.553 1.00 0.00 C ATOM 743 NE2 HIS A 49 -8.662 19.810 -19.625 1.00 0.00 N ATOM 0 H HIS A 49 -7.649 24.446 -23.082 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.109 24.021 -20.214 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.562 22.259 -22.052 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.741 22.709 -20.571 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.137 20.064 -21.739 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.723 20.310 -17.545 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.190 18.937 -19.638 1.00 0.00 H new ATOM 751 N VAL A 50 -5.325 24.988 -21.718 1.00 0.00 N ATOM 752 CA VAL A 50 -4.265 25.989 -21.688 1.00 0.00 C ATOM 753 C VAL A 50 -4.748 27.317 -22.260 1.00 0.00 C ATOM 754 O VAL A 50 -4.013 28.303 -22.274 1.00 0.00 O ATOM 755 CB VAL A 50 -3.029 25.521 -22.479 1.00 0.00 C ATOM 756 CG1 VAL A 50 -2.039 26.664 -22.648 1.00 0.00 C ATOM 757 CG2 VAL A 50 -2.373 24.335 -21.789 1.00 0.00 C ATOM 0 H VAL A 50 -5.176 24.237 -22.392 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.988 26.126 -20.643 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.353 25.202 -23.470 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.172 26.315 -23.209 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.516 27.481 -23.189 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.719 27.016 -21.667 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.501 24.017 -22.361 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.062 24.624 -20.785 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.085 23.512 -21.725 1.00 0.00 H new ATOM 767 N GLY A 51 -5.991 27.335 -22.733 1.00 0.00 N ATOM 768 CA GLY A 51 -6.552 28.547 -23.299 1.00 0.00 C ATOM 769 C GLY A 51 -5.891 28.936 -24.607 1.00 0.00 C ATOM 770 O GLY A 51 -5.187 28.132 -25.217 1.00 0.00 O ATOM 0 H GLY A 51 -6.619 26.531 -22.734 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.620 28.407 -23.463 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.443 29.362 -22.584 1.00 0.00 H new ATOM 774 N GLY A 52 -6.120 30.172 -25.040 1.00 0.00 N ATOM 775 CA GLY A 52 -5.536 30.643 -26.282 1.00 0.00 C ATOM 776 C GLY A 52 -4.321 31.520 -26.055 1.00 0.00 C ATOM 777 O GLY A 52 -3.768 31.580 -24.957 1.00 0.00 O ATOM 0 H GLY A 52 -6.700 30.855 -24.553 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.253 29.787 -26.895 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.285 31.203 -26.843 1.00 0.00 H new ATOM 781 N PRO A 53 -3.886 32.220 -27.114 1.00 0.00 N ATOM 782 CA PRO A 53 -2.723 33.110 -27.050 1.00 0.00 C ATOM 783 C PRO A 53 -2.991 34.356 -26.212 1.00 0.00 C ATOM 784 O PRO A 53 -2.098 35.176 -26.000 1.00 0.00 O ATOM 785 CB PRO A 53 -2.487 33.491 -28.514 1.00 0.00 C ATOM 786 CG PRO A 53 -3.818 33.335 -29.165 1.00 0.00 C ATOM 787 CD PRO A 53 -4.496 32.197 -28.453 1.00 0.00 C ATOM 0 HA PRO A 53 -1.867 32.628 -26.577 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.120 34.514 -28.603 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.742 32.844 -28.976 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.403 34.251 -29.082 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.710 33.121 -30.228 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.576 32.339 -28.405 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.322 31.247 -28.958 1.00 0.00 H new ATOM 795 N GLU A 54 -4.226 34.490 -25.739 1.00 0.00 N ATOM 796 CA GLU A 54 -4.610 35.637 -24.924 1.00 0.00 C ATOM 797 C GLU A 54 -4.164 35.450 -23.477 1.00 0.00 C ATOM 798 O GLU A 54 -4.040 36.417 -22.726 1.00 0.00 O ATOM 799 CB GLU A 54 -6.125 35.846 -24.980 1.00 0.00 C ATOM 800 CG GLU A 54 -6.645 36.161 -26.372 1.00 0.00 C ATOM 801 CD GLU A 54 -8.153 36.044 -26.472 1.00 0.00 C ATOM 802 OE1 GLU A 54 -8.851 36.645 -25.628 1.00 0.00 O ATOM 803 OE2 GLU A 54 -8.636 35.353 -27.392 1.00 0.00 O ATOM 0 H GLU A 54 -4.977 33.820 -25.906 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.114 36.520 -25.327 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.621 34.948 -24.611 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.396 36.660 -24.307 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.344 37.171 -26.648 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.183 35.483 -27.090 1.00 0.00 H new ATOM 810 N GLN A 55 -3.926 34.200 -23.094 1.00 0.00 N ATOM 811 CA GLN A 55 -3.496 33.886 -21.736 1.00 0.00 C ATOM 812 C GLN A 55 -2.028 34.245 -21.534 1.00 0.00 C ATOM 813 O GLN A 55 -1.253 34.292 -22.489 1.00 0.00 O ATOM 814 CB GLN A 55 -3.716 32.401 -21.440 1.00 0.00 C ATOM 815 CG GLN A 55 -5.178 31.986 -21.465 1.00 0.00 C ATOM 816 CD GLN A 55 -6.049 32.961 -22.231 1.00 0.00 C ATOM 817 OE1 GLN A 55 -6.463 32.688 -23.358 1.00 0.00 O ATOM 818 NE2 GLN A 55 -6.332 34.107 -21.622 1.00 0.00 N ATOM 0 H GLN A 55 -4.023 33.388 -23.704 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.095 34.480 -21.045 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.166 31.808 -22.171 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.298 32.168 -20.461 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.263 30.997 -21.916 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.545 31.903 -20.442 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.967 34.291 -20.687 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.914 34.803 -22.089 1.00 0.00 H new ATOM 827 N ASN A 56 -1.653 34.499 -20.284 1.00 0.00 N ATOM 828 CA ASN A 56 -0.277 34.855 -19.957 1.00 0.00 C ATOM 829 C ASN A 56 0.483 33.648 -19.415 1.00 0.00 C ATOM 830 O ASN A 56 1.399 33.138 -20.059 1.00 0.00 O ATOM 831 CB ASN A 56 -0.252 35.990 -18.931 1.00 0.00 C ATOM 832 CG ASN A 56 -1.322 35.831 -17.867 1.00 0.00 C ATOM 833 OD1 ASN A 56 -1.052 35.347 -16.768 1.00 0.00 O ATOM 834 ND2 ASN A 56 -2.543 36.240 -18.191 1.00 0.00 N ATOM 0 H ASN A 56 -2.282 34.465 -19.482 1.00 0.00 H new ATOM 0 HA ASN A 56 0.213 35.190 -20.872 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.728 36.024 -18.455 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.391 36.942 -19.443 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.304 36.159 -17.516 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.720 36.635 -19.115 1.00 0.00 H new ATOM 841 N ASN A 57 0.096 33.197 -18.226 1.00 0.00 N ATOM 842 CA ASN A 57 0.741 32.050 -17.597 1.00 0.00 C ATOM 843 C ASN A 57 0.173 30.742 -18.140 1.00 0.00 C ATOM 844 O ASN A 57 -0.970 30.383 -17.855 1.00 0.00 O ATOM 845 CB ASN A 57 0.560 32.107 -16.079 1.00 0.00 C ATOM 846 CG ASN A 57 1.134 30.888 -15.383 1.00 0.00 C ATOM 847 OD1 ASN A 57 2.220 30.417 -15.724 1.00 0.00 O ATOM 848 ND2 ASN A 57 0.406 30.370 -14.401 1.00 0.00 N ATOM 0 H ASN A 57 -0.661 33.608 -17.679 1.00 0.00 H new ATOM 0 HA ASN A 57 1.805 32.088 -17.831 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.043 33.004 -15.692 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.501 32.190 -15.845 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.741 29.550 -13.896 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.488 30.793 -14.152 1.00 0.00 H new ATOM 855 N HIS A 58 0.981 30.032 -18.922 1.00 0.00 N ATOM 856 CA HIS A 58 0.560 28.763 -19.503 1.00 0.00 C ATOM 857 C HIS A 58 1.163 27.588 -18.739 1.00 0.00 C ATOM 858 O HIS A 58 2.370 27.353 -18.795 1.00 0.00 O ATOM 859 CB HIS A 58 0.967 28.692 -20.975 1.00 0.00 C ATOM 860 CG HIS A 58 0.555 29.893 -21.770 1.00 0.00 C ATOM 861 ND1 HIS A 58 1.450 30.842 -22.217 1.00 0.00 N ATOM 862 CD2 HIS A 58 -0.664 30.296 -22.198 1.00 0.00 C ATOM 863 CE1 HIS A 58 0.798 31.778 -22.884 1.00 0.00 C ATOM 864 NE2 HIS A 58 -0.486 31.469 -22.888 1.00 0.00 N ATOM 0 H HIS A 58 1.930 30.314 -19.167 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.526 28.701 -19.430 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.049 28.578 -21.039 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.526 27.802 -21.423 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.602 29.789 -22.028 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.240 32.648 -23.347 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -1.225 32.014 -23.332 1.00 0.00 H new ATOM 872 N VAL A 59 0.315 26.855 -18.025 1.00 0.00 N ATOM 873 CA VAL A 59 0.765 25.705 -17.249 1.00 0.00 C ATOM 874 C VAL A 59 -0.187 24.525 -17.413 1.00 0.00 C ATOM 875 O VAL A 59 -1.406 24.683 -17.338 1.00 0.00 O ATOM 876 CB VAL A 59 0.886 26.049 -15.753 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.706 24.994 -15.027 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.499 27.430 -15.573 1.00 0.00 C ATOM 0 H VAL A 59 -0.687 27.037 -17.968 1.00 0.00 H new ATOM 0 HA VAL A 59 1.748 25.431 -17.631 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.113 26.060 -15.318 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.781 25.254 -13.971 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.221 24.023 -15.128 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.705 24.948 -15.461 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.577 27.658 -14.510 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.492 27.449 -16.022 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.867 28.174 -16.058 1.00 0.00 H new ATOM 888 N CYS A 60 0.377 23.343 -17.635 1.00 0.00 N ATOM 889 CA CYS A 60 -0.421 22.135 -17.809 1.00 0.00 C ATOM 890 C CYS A 60 -0.221 21.178 -16.638 1.00 0.00 C ATOM 891 O CYS A 60 0.885 20.690 -16.404 1.00 0.00 O ATOM 892 CB CYS A 60 -0.052 21.439 -19.121 1.00 0.00 C ATOM 893 SG CYS A 60 -0.022 19.621 -19.014 1.00 0.00 S ATOM 0 H CYS A 60 1.384 23.196 -17.699 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.471 22.425 -17.843 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.765 21.735 -19.890 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.929 21.790 -19.443 1.00 0.00 H new ATOM 0 HG CYS A 60 1.077 19.173 -19.546 1.00 0.00 H new ATOM 898 N TYR A 61 -1.298 20.914 -15.907 1.00 0.00 N ATOM 899 CA TYR A 61 -1.241 20.017 -14.759 1.00 0.00 C ATOM 900 C TYR A 61 -1.817 18.648 -15.108 1.00 0.00 C ATOM 901 O TYR A 61 -3.031 18.447 -15.075 1.00 0.00 O ATOM 902 CB TYR A 61 -2.004 20.618 -13.577 1.00 0.00 C ATOM 903 CG TYR A 61 -1.803 22.108 -13.421 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.496 23.010 -14.218 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.920 22.614 -12.474 1.00 0.00 C ATOM 906 CE1 TYR A 61 -2.314 24.372 -14.079 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.733 23.975 -12.327 1.00 0.00 C ATOM 908 CZ TYR A 61 -1.432 24.850 -13.132 1.00 0.00 C ATOM 909 OH TYR A 61 -1.249 26.206 -12.990 1.00 0.00 O ATOM 0 H TYR A 61 -2.221 21.308 -16.089 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.195 19.890 -14.481 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.068 20.414 -13.701 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.689 20.119 -12.660 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.189 22.640 -14.959 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.371 21.932 -11.842 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.859 25.059 -14.709 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.043 24.352 -11.586 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.596 26.375 -12.279 1.00 0.00 H new ATOM 919 N TRP A 62 -0.937 17.711 -15.441 1.00 0.00 N ATOM 920 CA TRP A 62 -1.357 16.360 -15.796 1.00 0.00 C ATOM 921 C TRP A 62 -1.395 15.461 -14.565 1.00 0.00 C ATOM 922 O TRP A 62 -0.576 15.602 -13.657 1.00 0.00 O ATOM 923 CB TRP A 62 -0.413 15.769 -16.844 1.00 0.00 C ATOM 924 CG TRP A 62 -1.105 14.882 -17.834 1.00 0.00 C ATOM 925 CD1 TRP A 62 -1.168 13.518 -17.808 1.00 0.00 C ATOM 926 CD2 TRP A 62 -1.830 15.298 -18.997 1.00 0.00 C ATOM 927 NE1 TRP A 62 -1.889 13.061 -18.885 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.307 14.133 -19.629 1.00 0.00 C ATOM 929 CE3 TRP A 62 -2.124 16.540 -19.564 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -3.060 14.176 -20.799 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -2.872 16.582 -20.726 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.333 15.406 -21.333 1.00 0.00 C ATOM 0 H TRP A 62 0.071 17.861 -15.473 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.362 16.417 -16.213 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.080 16.581 -17.378 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.367 15.199 -16.340 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.718 12.891 -17.053 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -2.082 12.082 -19.096 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.773 17.451 -19.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.416 13.271 -21.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -3.105 17.537 -21.173 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.915 15.472 -22.240 1.00 0.00 H new ATOM 943 N GLU A 63 -2.351 14.538 -14.541 1.00 0.00 N ATOM 944 CA GLU A 63 -2.495 13.616 -13.420 1.00 0.00 C ATOM 945 C GLU A 63 -1.136 13.085 -12.974 1.00 0.00 C ATOM 946 O GLU A 63 -0.974 12.643 -11.837 1.00 0.00 O ATOM 947 CB GLU A 63 -3.410 12.451 -13.803 1.00 0.00 C ATOM 948 CG GLU A 63 -3.332 11.276 -12.843 1.00 0.00 C ATOM 949 CD GLU A 63 -2.243 10.289 -13.215 1.00 0.00 C ATOM 950 OE1 GLU A 63 -1.835 10.272 -14.395 1.00 0.00 O ATOM 951 OE2 GLU A 63 -1.799 9.533 -12.326 1.00 0.00 O ATOM 0 H GLU A 63 -3.037 14.409 -15.285 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.943 14.162 -12.589 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.439 12.807 -13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.149 12.109 -14.805 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.151 11.647 -11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.293 10.762 -12.826 1.00 0.00 H new ATOM 958 N GLU A 64 -0.163 13.133 -13.879 1.00 0.00 N ATOM 959 CA GLU A 64 1.182 12.656 -13.579 1.00 0.00 C ATOM 960 C GLU A 64 2.203 13.272 -14.531 1.00 0.00 C ATOM 961 O GLU A 64 3.197 12.639 -14.887 1.00 0.00 O ATOM 962 CB GLU A 64 1.238 11.129 -13.672 1.00 0.00 C ATOM 963 CG GLU A 64 1.278 10.438 -12.319 1.00 0.00 C ATOM 964 CD GLU A 64 2.677 10.376 -11.737 1.00 0.00 C ATOM 965 OE1 GLU A 64 3.594 10.980 -12.333 1.00 0.00 O ATOM 966 OE2 GLU A 64 2.856 9.723 -10.688 1.00 0.00 O ATOM 0 H GLU A 64 -0.281 13.497 -14.825 1.00 0.00 H new ATOM 0 HA GLU A 64 1.429 12.961 -12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.368 10.775 -14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.120 10.840 -14.244 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.623 10.966 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.885 9.426 -12.420 1.00 0.00 H new ATOM 973 N CYS A 65 1.950 14.510 -14.940 1.00 0.00 N ATOM 974 CA CYS A 65 2.845 15.213 -15.851 1.00 0.00 C ATOM 975 C CYS A 65 4.301 15.020 -15.440 1.00 0.00 C ATOM 976 O CYS A 65 4.664 15.140 -14.270 1.00 0.00 O ATOM 977 CB CYS A 65 2.506 16.705 -15.882 1.00 0.00 C ATOM 978 SG CYS A 65 3.015 17.551 -17.413 1.00 0.00 S ATOM 0 H CYS A 65 1.132 15.048 -14.655 1.00 0.00 H new ATOM 0 HA CYS A 65 2.709 14.795 -16.849 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.430 16.825 -15.754 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.985 17.193 -15.033 1.00 0.00 H new ATOM 0 HG CYS A 65 2.069 17.451 -18.299 1.00 0.00 H new ATOM 983 N PRO A 66 5.158 14.712 -16.426 1.00 0.00 N ATOM 984 CA PRO A 66 6.589 14.496 -16.192 1.00 0.00 C ATOM 985 C PRO A 66 7.318 15.785 -15.827 1.00 0.00 C ATOM 986 O PRO A 66 8.368 15.755 -15.185 1.00 0.00 O ATOM 987 CB PRO A 66 7.091 13.959 -17.535 1.00 0.00 C ATOM 988 CG PRO A 66 6.128 14.491 -18.539 1.00 0.00 C ATOM 989 CD PRO A 66 4.796 14.552 -17.844 1.00 0.00 C ATOM 0 HA PRO A 66 6.768 13.822 -15.354 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.106 14.297 -17.742 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.110 12.869 -17.543 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.432 15.478 -18.887 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.081 13.845 -19.416 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.194 15.387 -18.202 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.214 13.645 -18.010 1.00 0.00 H new ATOM 997 N ARG A 67 6.754 16.915 -16.241 1.00 0.00 N ATOM 998 CA ARG A 67 7.352 18.215 -15.959 1.00 0.00 C ATOM 999 C ARG A 67 6.887 18.744 -14.605 1.00 0.00 C ATOM 1000 O ARG A 67 7.506 19.641 -14.034 1.00 0.00 O ATOM 1001 CB ARG A 67 6.994 19.215 -17.060 1.00 0.00 C ATOM 1002 CG ARG A 67 7.494 18.809 -18.436 1.00 0.00 C ATOM 1003 CD ARG A 67 8.939 19.235 -18.651 1.00 0.00 C ATOM 1004 NE ARG A 67 9.865 18.461 -17.830 1.00 0.00 N ATOM 1005 CZ ARG A 67 10.113 17.169 -18.019 1.00 0.00 C ATOM 1006 NH1 ARG A 67 9.506 16.511 -18.997 1.00 0.00 N ATOM 1007 NH2 ARG A 67 10.969 16.534 -17.230 1.00 0.00 N ATOM 0 H ARG A 67 5.884 16.957 -16.772 1.00 0.00 H new ATOM 0 HA ARG A 67 8.434 18.091 -15.929 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.911 19.331 -17.096 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.411 20.189 -16.804 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.411 17.728 -18.550 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.863 19.260 -19.202 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.200 19.115 -19.703 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.044 20.294 -18.415 1.00 0.00 H new ATOM 0 HE ARG A 67 10.349 18.938 -17.069 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.847 16.996 -19.606 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.698 15.519 -19.140 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.438 17.037 -16.477 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.158 15.542 -17.376 1.00 0.00 H new ATOM 1021 N GLU A 68 5.793 18.182 -14.099 1.00 0.00 N ATOM 1022 CA GLU A 68 5.246 18.599 -12.814 1.00 0.00 C ATOM 1023 C GLU A 68 4.651 20.002 -12.905 1.00 0.00 C ATOM 1024 O GLU A 68 4.671 20.761 -11.937 1.00 0.00 O ATOM 1025 CB GLU A 68 6.331 18.563 -11.736 1.00 0.00 C ATOM 1026 CG GLU A 68 7.190 17.311 -11.780 1.00 0.00 C ATOM 1027 CD GLU A 68 7.972 17.094 -10.499 1.00 0.00 C ATOM 1028 OE1 GLU A 68 8.352 18.098 -9.860 1.00 0.00 O ATOM 1029 OE2 GLU A 68 8.204 15.922 -10.135 1.00 0.00 O ATOM 0 H GLU A 68 5.269 17.438 -14.559 1.00 0.00 H new ATOM 0 HA GLU A 68 4.452 17.903 -12.544 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.972 19.437 -11.848 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.860 18.636 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.554 16.445 -11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.884 17.381 -12.618 1.00 0.00 H new ATOM 1036 N GLY A 69 4.122 20.339 -14.078 1.00 0.00 N ATOM 1037 CA GLY A 69 3.530 21.649 -14.275 1.00 0.00 C ATOM 1038 C GLY A 69 4.553 22.765 -14.199 1.00 0.00 C ATOM 1039 O GLY A 69 4.435 23.671 -13.374 1.00 0.00 O ATOM 0 H GLY A 69 4.093 19.728 -14.894 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.036 21.679 -15.246 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.761 21.814 -13.521 1.00 0.00 H new ATOM 1043 N LYS A 70 5.562 22.700 -15.062 1.00 0.00 N ATOM 1044 CA LYS A 70 6.611 23.712 -15.090 1.00 0.00 C ATOM 1045 C LYS A 70 6.421 24.659 -16.270 1.00 0.00 C ATOM 1046 O LYS A 70 6.516 24.251 -17.428 1.00 0.00 O ATOM 1047 CB LYS A 70 7.987 23.047 -15.173 1.00 0.00 C ATOM 1048 CG LYS A 70 8.540 22.624 -13.823 1.00 0.00 C ATOM 1049 CD LYS A 70 9.306 23.754 -13.155 1.00 0.00 C ATOM 1050 CE LYS A 70 10.133 23.250 -11.982 1.00 0.00 C ATOM 1051 NZ LYS A 70 10.596 24.365 -11.110 1.00 0.00 N ATOM 0 H LYS A 70 5.675 21.957 -15.751 1.00 0.00 H new ATOM 0 HA LYS A 70 6.548 24.290 -14.168 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.920 22.172 -15.819 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.687 23.737 -15.643 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.722 22.306 -13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.197 21.764 -13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.960 24.232 -13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.606 24.514 -12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.539 22.551 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.996 22.699 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.156 23.980 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.184 25.019 -11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.772 24.875 -10.732 1.00 0.00 H new ATOM 1065 N SER A 71 6.153 25.926 -15.969 1.00 0.00 N ATOM 1066 CA SER A 71 5.947 26.931 -17.006 1.00 0.00 C ATOM 1067 C SER A 71 7.037 26.845 -18.070 1.00 0.00 C ATOM 1068 O SER A 71 8.028 26.133 -17.904 1.00 0.00 O ATOM 1069 CB SER A 71 5.929 28.332 -16.391 1.00 0.00 C ATOM 1070 OG SER A 71 7.233 28.883 -16.339 1.00 0.00 O ATOM 0 H SER A 71 6.073 26.281 -15.016 1.00 0.00 H new ATOM 0 HA SER A 71 4.985 26.737 -17.480 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.279 28.982 -16.978 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.510 28.286 -15.386 1.00 0.00 H new ATOM 0 HG SER A 71 7.194 29.779 -15.944 1.00 0.00 H new ATOM 1076 N PHE A 72 6.846 27.574 -19.164 1.00 0.00 N ATOM 1077 CA PHE A 72 7.811 27.580 -20.257 1.00 0.00 C ATOM 1078 C PHE A 72 8.273 29.001 -20.567 1.00 0.00 C ATOM 1079 O PHE A 72 7.834 29.961 -19.933 1.00 0.00 O ATOM 1080 CB PHE A 72 7.200 26.947 -21.509 1.00 0.00 C ATOM 1081 CG PHE A 72 6.825 25.504 -21.328 1.00 0.00 C ATOM 1082 CD1 PHE A 72 5.794 25.144 -20.475 1.00 0.00 C ATOM 1083 CD2 PHE A 72 7.503 24.507 -22.012 1.00 0.00 C ATOM 1084 CE1 PHE A 72 5.447 23.817 -20.307 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.160 23.178 -21.847 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.130 22.833 -20.995 1.00 0.00 C ATOM 0 H PHE A 72 6.031 28.169 -19.317 1.00 0.00 H new ATOM 0 HA PHE A 72 8.676 26.994 -19.947 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.313 27.512 -21.796 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.910 27.029 -22.332 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.256 25.909 -19.935 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.308 24.771 -22.681 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.642 23.549 -19.638 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.697 22.410 -22.384 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.859 21.796 -20.867 1.00 0.00 H new ATOM 1096 N LYS A 73 9.164 29.127 -21.545 1.00 0.00 N ATOM 1097 CA LYS A 73 9.687 30.429 -21.941 1.00 0.00 C ATOM 1098 C LYS A 73 8.734 31.129 -22.904 1.00 0.00 C ATOM 1099 O LYS A 73 8.756 32.352 -23.036 1.00 0.00 O ATOM 1100 CB LYS A 73 11.063 30.273 -22.592 1.00 0.00 C ATOM 1101 CG LYS A 73 11.729 31.595 -22.932 1.00 0.00 C ATOM 1102 CD LYS A 73 12.579 32.104 -21.780 1.00 0.00 C ATOM 1103 CE LYS A 73 14.001 31.569 -21.857 1.00 0.00 C ATOM 1104 NZ LYS A 73 14.823 32.008 -20.696 1.00 0.00 N ATOM 0 H LYS A 73 9.539 28.342 -22.078 1.00 0.00 H new ATOM 0 HA LYS A 73 9.783 31.041 -21.044 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.712 29.711 -21.920 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.960 29.683 -23.503 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.352 31.472 -23.818 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.967 32.335 -23.178 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.598 33.194 -21.794 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.128 31.805 -20.834 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.978 30.480 -21.894 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.467 31.909 -22.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.785 31.623 -20.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.867 33.047 -20.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.392 31.662 -19.815 1.00 0.00 H new ATOM 1118 N ALA A 74 7.896 30.344 -23.575 1.00 0.00 N ATOM 1119 CA ALA A 74 6.933 30.889 -24.524 1.00 0.00 C ATOM 1120 C ALA A 74 5.632 30.094 -24.502 1.00 0.00 C ATOM 1121 O ALA A 74 5.539 29.052 -23.853 1.00 0.00 O ATOM 1122 CB ALA A 74 7.523 30.901 -25.926 1.00 0.00 C ATOM 0 H ALA A 74 7.865 29.329 -23.479 1.00 0.00 H new ATOM 0 HA ALA A 74 6.708 31.914 -24.228 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.793 31.310 -26.624 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.422 31.518 -25.937 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.778 29.883 -26.222 1.00 0.00 H new ATOM 1128 N LYS A 75 4.627 30.593 -25.214 1.00 0.00 N ATOM 1129 CA LYS A 75 3.330 29.930 -25.278 1.00 0.00 C ATOM 1130 C LYS A 75 3.417 28.642 -26.090 1.00 0.00 C ATOM 1131 O LYS A 75 2.951 27.589 -25.654 1.00 0.00 O ATOM 1132 CB LYS A 75 2.286 30.865 -25.893 1.00 0.00 C ATOM 1133 CG LYS A 75 0.856 30.496 -25.540 1.00 0.00 C ATOM 1134 CD LYS A 75 0.295 29.458 -26.498 1.00 0.00 C ATOM 1135 CE LYS A 75 -1.213 29.592 -26.644 1.00 0.00 C ATOM 1136 NZ LYS A 75 -1.943 28.742 -25.663 1.00 0.00 N ATOM 0 H LYS A 75 4.686 31.455 -25.755 1.00 0.00 H new ATOM 0 HA LYS A 75 3.028 29.678 -24.262 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.482 31.884 -25.560 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.397 30.857 -26.977 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.820 30.109 -24.521 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.232 31.390 -25.564 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.767 29.569 -27.474 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.539 28.459 -26.137 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.500 30.634 -26.506 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.506 29.312 -27.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.968 28.862 -25.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.689 27.744 -25.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.683 29.026 -24.697 1.00 0.00 H new ATOM 1150 N TYR A 76 4.017 28.733 -27.272 1.00 0.00 N ATOM 1151 CA TYR A 76 4.164 27.575 -28.145 1.00 0.00 C ATOM 1152 C TYR A 76 5.021 26.499 -27.485 1.00 0.00 C ATOM 1153 O TYR A 76 4.919 25.317 -27.814 1.00 0.00 O ATOM 1154 CB TYR A 76 4.787 27.991 -29.479 1.00 0.00 C ATOM 1155 CG TYR A 76 6.171 28.584 -29.342 1.00 0.00 C ATOM 1156 CD1 TYR A 76 7.296 27.769 -29.296 1.00 0.00 C ATOM 1157 CD2 TYR A 76 6.354 29.959 -29.259 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.562 28.307 -29.170 1.00 0.00 C ATOM 1159 CE2 TYR A 76 7.617 30.505 -29.134 1.00 0.00 C ATOM 1160 CZ TYR A 76 8.717 29.675 -29.090 1.00 0.00 C ATOM 1161 OH TYR A 76 9.977 30.214 -28.966 1.00 0.00 O ATOM 0 H TYR A 76 4.409 29.597 -27.647 1.00 0.00 H new ATOM 0 HA TYR A 76 3.172 27.162 -28.327 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.837 27.121 -30.134 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.136 28.718 -29.964 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.178 26.697 -29.360 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.494 30.612 -29.293 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.426 27.660 -29.134 1.00 0.00 H new ATOM 0 HE2 TYR A 76 7.742 31.576 -29.071 1.00 0.00 H new ATOM 0 HH TYR A 76 9.912 31.191 -28.924 1.00 0.00 H new ATOM 1171 N LYS A 77 5.866 26.918 -26.548 1.00 0.00 N ATOM 1172 CA LYS A 77 6.740 25.993 -25.838 1.00 0.00 C ATOM 1173 C LYS A 77 5.927 24.946 -25.083 1.00 0.00 C ATOM 1174 O LYS A 77 6.287 23.768 -25.053 1.00 0.00 O ATOM 1175 CB LYS A 77 7.640 26.756 -24.863 1.00 0.00 C ATOM 1176 CG LYS A 77 8.502 27.813 -25.531 1.00 0.00 C ATOM 1177 CD LYS A 77 9.469 27.196 -26.527 1.00 0.00 C ATOM 1178 CE LYS A 77 10.316 26.110 -25.882 1.00 0.00 C ATOM 1179 NZ LYS A 77 10.881 26.549 -24.577 1.00 0.00 N ATOM 0 H LYS A 77 5.963 27.893 -26.263 1.00 0.00 H new ATOM 0 HA LYS A 77 7.362 25.483 -26.574 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.018 27.232 -24.105 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.286 26.046 -24.346 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.864 28.535 -26.041 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.060 28.361 -24.772 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.912 26.775 -27.364 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.118 27.971 -26.934 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.709 25.217 -25.733 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.128 25.835 -26.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.798 26.083 -24.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.014 27.580 -24.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.227 26.290 -23.811 1.00 0.00 H new ATOM 1193 N LEU A 78 4.830 25.382 -24.474 1.00 0.00 N ATOM 1194 CA LEU A 78 3.965 24.482 -23.720 1.00 0.00 C ATOM 1195 C LEU A 78 3.078 23.668 -24.656 1.00 0.00 C ATOM 1196 O LEU A 78 2.882 22.469 -24.456 1.00 0.00 O ATOM 1197 CB LEU A 78 3.098 25.277 -22.741 1.00 0.00 C ATOM 1198 CG LEU A 78 1.861 24.558 -22.203 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.232 23.181 -21.674 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.192 25.387 -21.116 1.00 0.00 C ATOM 0 H LEU A 78 4.519 26.353 -24.488 1.00 0.00 H new ATOM 0 HA LEU A 78 4.598 23.794 -23.160 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.718 25.573 -21.895 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.775 26.193 -23.235 1.00 0.00 H new ATOM 0 HG LEU A 78 1.153 24.431 -23.022 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.339 22.684 -21.295 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.664 22.586 -22.479 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.959 23.284 -20.868 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.313 24.859 -20.745 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.893 25.546 -20.296 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.890 26.350 -21.527 1.00 0.00 H new ATOM 1212 N VAL A 79 2.544 24.327 -25.680 1.00 0.00 N ATOM 1213 CA VAL A 79 1.681 23.664 -26.650 1.00 0.00 C ATOM 1214 C VAL A 79 2.342 22.406 -27.204 1.00 0.00 C ATOM 1215 O VAL A 79 1.678 21.398 -27.442 1.00 0.00 O ATOM 1216 CB VAL A 79 1.326 24.601 -27.819 1.00 0.00 C ATOM 1217 CG1 VAL A 79 0.555 23.848 -28.892 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.530 25.798 -27.319 1.00 0.00 C ATOM 0 H VAL A 79 2.694 25.320 -25.859 1.00 0.00 H new ATOM 0 HA VAL A 79 0.767 23.390 -26.124 1.00 0.00 H new ATOM 0 HB VAL A 79 2.252 24.968 -28.262 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.313 24.527 -29.710 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.165 23.027 -29.270 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.366 23.450 -28.466 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.287 26.450 -28.158 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.391 25.452 -26.850 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.123 26.350 -26.590 1.00 0.00 H new ATOM 1228 N ASN A 80 3.653 22.473 -27.406 1.00 0.00 N ATOM 1229 CA ASN A 80 4.405 21.340 -27.933 1.00 0.00 C ATOM 1230 C ASN A 80 4.503 20.224 -26.897 1.00 0.00 C ATOM 1231 O ASN A 80 4.456 19.041 -27.236 1.00 0.00 O ATOM 1232 CB ASN A 80 5.807 21.783 -28.356 1.00 0.00 C ATOM 1233 CG ASN A 80 5.781 22.726 -29.543 1.00 0.00 C ATOM 1234 OD1 ASN A 80 4.796 22.789 -30.279 1.00 0.00 O ATOM 1235 ND2 ASN A 80 6.868 23.465 -29.736 1.00 0.00 N ATOM 0 H ASN A 80 4.217 23.300 -27.213 1.00 0.00 H new ATOM 0 HA ASN A 80 3.874 20.958 -28.805 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.299 22.274 -27.516 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.403 20.905 -28.606 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.909 24.117 -30.519 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.662 23.380 -29.101 1.00 0.00 H new ATOM 1242 N HIS A 81 4.639 20.609 -25.631 1.00 0.00 N ATOM 1243 CA HIS A 81 4.743 19.641 -24.545 1.00 0.00 C ATOM 1244 C HIS A 81 3.511 18.742 -24.499 1.00 0.00 C ATOM 1245 O HIS A 81 3.627 17.520 -24.399 1.00 0.00 O ATOM 1246 CB HIS A 81 4.913 20.362 -23.207 1.00 0.00 C ATOM 1247 CG HIS A 81 4.274 19.646 -22.056 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.864 18.580 -21.412 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.089 19.851 -21.434 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.070 18.159 -20.444 1.00 0.00 C ATOM 1251 NE2 HIS A 81 2.986 18.914 -20.436 1.00 0.00 N ATOM 0 H HIS A 81 4.680 21.584 -25.333 1.00 0.00 H new ATOM 0 HA HIS A 81 5.619 19.018 -24.728 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.977 20.485 -23.002 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.485 21.362 -23.285 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.772 18.179 -21.646 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.361 20.610 -21.678 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.273 17.337 -19.773 1.00 0.00 H new ATOM 1259 N ILE A 82 2.334 19.354 -24.573 1.00 0.00 N ATOM 1260 CA ILE A 82 1.082 18.608 -24.540 1.00 0.00 C ATOM 1261 C ILE A 82 1.052 17.537 -25.625 1.00 0.00 C ATOM 1262 O ILE A 82 0.246 16.608 -25.572 1.00 0.00 O ATOM 1263 CB ILE A 82 -0.132 19.539 -24.718 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.033 20.798 -23.865 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -1.416 18.809 -24.352 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -1.253 21.570 -23.671 1.00 0.00 C ATOM 0 H ILE A 82 2.221 20.364 -24.656 1.00 0.00 H new ATOM 0 HA ILE A 82 1.023 18.131 -23.561 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.192 19.838 -25.764 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.429 20.516 -22.889 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.771 21.450 -24.333 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.266 19.479 -24.483 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.537 17.940 -24.998 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.366 18.484 -23.313 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.060 22.450 -23.057 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.640 21.883 -24.641 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.987 20.935 -23.175 1.00 0.00 H new ATOM 1278 N ARG A 83 1.936 17.674 -26.608 1.00 0.00 N ATOM 1279 CA ARG A 83 2.011 16.718 -27.706 1.00 0.00 C ATOM 1280 C ARG A 83 2.506 15.361 -27.213 1.00 0.00 C ATOM 1281 O ARG A 83 2.254 14.332 -27.839 1.00 0.00 O ATOM 1282 CB ARG A 83 2.937 17.242 -28.805 1.00 0.00 C ATOM 1283 CG ARG A 83 2.658 18.683 -29.201 1.00 0.00 C ATOM 1284 CD ARG A 83 1.523 18.773 -30.209 1.00 0.00 C ATOM 1285 NE ARG A 83 1.944 18.361 -31.546 1.00 0.00 N ATOM 1286 CZ ARG A 83 1.175 18.466 -32.623 1.00 0.00 C ATOM 1287 NH1 ARG A 83 -0.049 18.966 -32.522 1.00 0.00 N ATOM 1288 NH2 ARG A 83 1.629 18.069 -33.805 1.00 0.00 N ATOM 0 H ARG A 83 2.610 18.437 -26.666 1.00 0.00 H new ATOM 0 HA ARG A 83 1.008 16.593 -28.114 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.970 17.160 -28.467 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.838 16.607 -29.685 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.405 19.263 -28.314 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.559 19.126 -29.625 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.695 18.145 -29.880 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.151 19.797 -30.246 1.00 0.00 H new ATOM 0 HE ARG A 83 2.880 17.971 -31.658 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.402 19.271 -31.615 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.637 19.045 -33.351 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.570 17.683 -33.887 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.037 18.150 -34.632 1.00 0.00 H new ATOM 1302 N VAL A 84 3.212 15.368 -26.087 1.00 0.00 N ATOM 1303 CA VAL A 84 3.743 14.139 -25.509 1.00 0.00 C ATOM 1304 C VAL A 84 2.688 13.427 -24.670 1.00 0.00 C ATOM 1305 O VAL A 84 2.787 12.226 -24.418 1.00 0.00 O ATOM 1306 CB VAL A 84 4.978 14.418 -24.633 1.00 0.00 C ATOM 1307 CG1 VAL A 84 5.908 15.406 -25.320 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.555 14.934 -23.266 1.00 0.00 C ATOM 0 H VAL A 84 3.430 16.212 -25.557 1.00 0.00 H new ATOM 0 HA VAL A 84 4.035 13.498 -26.341 1.00 0.00 H new ATOM 0 HB VAL A 84 5.521 13.483 -24.492 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.775 15.591 -24.686 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.237 14.993 -26.274 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.379 16.343 -25.494 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.440 15.126 -22.660 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.989 15.858 -23.385 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.932 14.188 -22.772 1.00 0.00 H new ATOM 1318 N HIS A 85 1.677 14.175 -24.240 1.00 0.00 N ATOM 1319 CA HIS A 85 0.602 13.615 -23.429 1.00 0.00 C ATOM 1320 C HIS A 85 -0.294 12.707 -24.266 1.00 0.00 C ATOM 1321 O HIS A 85 -1.151 12.001 -23.735 1.00 0.00 O ATOM 1322 CB HIS A 85 -0.230 14.735 -22.804 1.00 0.00 C ATOM 1323 CG HIS A 85 0.405 15.349 -21.594 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.349 14.699 -20.828 1.00 0.00 N ATOM 1325 CD2 HIS A 85 0.228 16.563 -21.021 1.00 0.00 C ATOM 1326 CE1 HIS A 85 1.724 15.485 -19.834 1.00 0.00 C ATOM 1327 NE2 HIS A 85 1.058 16.622 -19.929 1.00 0.00 N ATOM 0 H HIS A 85 1.580 15.171 -24.440 1.00 0.00 H new ATOM 0 HA HIS A 85 1.052 13.020 -22.635 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.397 15.512 -23.550 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.208 14.340 -22.530 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.703 13.758 -21.001 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.441 17.340 -21.360 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.451 15.240 -19.074 1.00 0.00 H new ATOM 1335 N THR A 86 -0.090 12.731 -25.580 1.00 0.00 N ATOM 1336 CA THR A 86 -0.879 11.912 -26.491 1.00 0.00 C ATOM 1337 C THR A 86 -0.138 10.632 -26.862 1.00 0.00 C ATOM 1338 O THR A 86 -0.664 9.531 -26.706 1.00 0.00 O ATOM 1339 CB THR A 86 -1.229 12.681 -27.779 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.151 12.583 -28.716 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.511 14.145 -27.475 1.00 0.00 C ATOM 0 H THR A 86 0.615 13.309 -26.037 1.00 0.00 H new ATOM 0 HA THR A 86 -1.801 11.657 -25.968 1.00 0.00 H new ATOM 0 HB THR A 86 -2.126 12.236 -28.209 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.594 13.145 -28.417 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.756 14.668 -28.399 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.351 14.218 -26.784 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.629 14.599 -27.024 1.00 0.00 H new ATOM 1407 N PHE A 91 5.059 10.432 -38.196 1.00 0.00 N ATOM 1408 CA PHE A 91 6.186 9.668 -38.717 1.00 0.00 C ATOM 1409 C PHE A 91 7.448 9.938 -37.903 1.00 0.00 C ATOM 1410 O PHE A 91 7.705 11.058 -37.460 1.00 0.00 O ATOM 1411 CB PHE A 91 6.430 10.017 -40.187 1.00 0.00 C ATOM 1412 CG PHE A 91 5.983 11.402 -40.557 1.00 0.00 C ATOM 1413 CD1 PHE A 91 6.565 12.513 -39.968 1.00 0.00 C ATOM 1414 CD2 PHE A 91 4.979 11.593 -41.493 1.00 0.00 C ATOM 1415 CE1 PHE A 91 6.156 13.789 -40.307 1.00 0.00 C ATOM 1416 CE2 PHE A 91 4.566 12.867 -41.835 1.00 0.00 C ATOM 1417 CZ PHE A 91 5.154 13.966 -41.241 1.00 0.00 C ATOM 0 HA PHE A 91 5.943 8.609 -38.638 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.493 9.917 -40.404 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.907 9.295 -40.815 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.347 12.380 -39.235 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.514 10.737 -41.960 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.619 14.647 -39.842 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.783 13.003 -42.567 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.831 14.962 -41.506 1.00 0.00 H new ATOM 1427 N PRO A 92 8.257 8.887 -37.700 1.00 0.00 N ATOM 1428 CA PRO A 92 9.505 8.984 -36.938 1.00 0.00 C ATOM 1429 C PRO A 92 10.572 9.786 -37.674 1.00 0.00 C ATOM 1430 O PRO A 92 10.274 10.512 -38.623 1.00 0.00 O ATOM 1431 CB PRO A 92 9.943 7.525 -36.787 1.00 0.00 C ATOM 1432 CG PRO A 92 9.318 6.820 -37.941 1.00 0.00 C ATOM 1433 CD PRO A 92 8.014 7.523 -38.198 1.00 0.00 C ATOM 0 HA PRO A 92 9.364 9.502 -35.989 1.00 0.00 H new ATOM 0 HB2 PRO A 92 11.029 7.434 -36.808 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.606 7.107 -35.838 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.963 6.860 -38.819 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.155 5.767 -37.713 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.759 7.522 -39.258 1.00 0.00 H new ATOM 0 HD3 PRO A 92 7.189 7.044 -37.671 1.00 0.00 H new ATOM 1441 N CYS A 93 11.818 9.652 -37.232 1.00 0.00 N ATOM 1442 CA CYS A 93 12.931 10.364 -37.848 1.00 0.00 C ATOM 1443 C CYS A 93 13.667 9.468 -38.840 1.00 0.00 C ATOM 1444 O CYS A 93 13.946 8.300 -38.571 1.00 0.00 O ATOM 1445 CB CYS A 93 13.901 10.862 -36.776 1.00 0.00 C ATOM 1446 SG CYS A 93 15.334 11.774 -37.435 1.00 0.00 S ATOM 0 H CYS A 93 12.082 9.056 -36.448 1.00 0.00 H new ATOM 0 HA CYS A 93 12.528 11.220 -38.389 1.00 0.00 H new ATOM 0 HB2 CYS A 93 13.360 11.507 -36.084 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.260 10.008 -36.201 1.00 0.00 H new ATOM 0 HG CYS A 93 15.478 12.888 -36.781 1.00 0.00 H new ATOM 1451 N PRO A 94 13.991 10.028 -40.015 1.00 0.00 N ATOM 1452 CA PRO A 94 14.700 9.299 -41.071 1.00 0.00 C ATOM 1453 C PRO A 94 16.150 9.006 -40.699 1.00 0.00 C ATOM 1454 O PRO A 94 16.904 8.448 -41.496 1.00 0.00 O ATOM 1455 CB PRO A 94 14.637 10.254 -42.265 1.00 0.00 C ATOM 1456 CG PRO A 94 14.492 11.608 -41.661 1.00 0.00 C ATOM 1457 CD PRO A 94 13.690 11.416 -40.404 1.00 0.00 C ATOM 0 HA PRO A 94 14.253 8.324 -41.264 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.539 10.187 -42.874 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.795 10.019 -42.916 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.467 12.043 -41.440 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.987 12.289 -42.346 1.00 0.00 H new ATOM 0 HD2 PRO A 94 13.984 12.123 -39.628 1.00 0.00 H new ATOM 0 HD3 PRO A 94 12.624 11.561 -40.581 1.00 0.00 H new ATOM 1465 N PHE A 95 16.533 9.385 -39.485 1.00 0.00 N ATOM 1466 CA PHE A 95 17.893 9.164 -39.008 1.00 0.00 C ATOM 1467 C PHE A 95 17.963 7.925 -38.120 1.00 0.00 C ATOM 1468 O PHE A 95 17.152 7.733 -37.214 1.00 0.00 O ATOM 1469 CB PHE A 95 18.392 10.387 -38.237 1.00 0.00 C ATOM 1470 CG PHE A 95 19.886 10.536 -38.250 1.00 0.00 C ATOM 1471 CD1 PHE A 95 20.692 9.639 -37.568 1.00 0.00 C ATOM 1472 CD2 PHE A 95 20.486 11.575 -38.945 1.00 0.00 C ATOM 1473 CE1 PHE A 95 22.067 9.774 -37.578 1.00 0.00 C ATOM 1474 CE2 PHE A 95 21.861 11.714 -38.960 1.00 0.00 C ATOM 1475 CZ PHE A 95 22.652 10.813 -38.275 1.00 0.00 C ATOM 0 H PHE A 95 15.920 9.847 -38.813 1.00 0.00 H new ATOM 0 HA PHE A 95 18.534 9.005 -39.875 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.942 11.284 -38.663 1.00 0.00 H new ATOM 0 HB3 PHE A 95 18.051 10.319 -37.204 1.00 0.00 H new ATOM 0 HD1 PHE A 95 20.240 8.824 -37.022 1.00 0.00 H new ATOM 0 HD2 PHE A 95 19.872 12.284 -39.481 1.00 0.00 H new ATOM 0 HE1 PHE A 95 22.684 9.068 -37.041 1.00 0.00 H new ATOM 0 HE2 PHE A 95 22.316 12.526 -39.507 1.00 0.00 H new ATOM 0 HZ PHE A 95 23.727 10.921 -38.284 1.00 0.00 H new ATOM 1485 N PRO A 96 18.956 7.063 -38.385 1.00 0.00 N ATOM 1486 CA PRO A 96 19.156 5.827 -37.622 1.00 0.00 C ATOM 1487 C PRO A 96 19.637 6.096 -36.200 1.00 0.00 C ATOM 1488 O PRO A 96 19.038 5.629 -35.233 1.00 0.00 O ATOM 1489 CB PRO A 96 20.233 5.088 -38.420 1.00 0.00 C ATOM 1490 CG PRO A 96 20.973 6.161 -39.142 1.00 0.00 C ATOM 1491 CD PRO A 96 19.959 7.228 -39.450 1.00 0.00 C ATOM 0 HA PRO A 96 18.230 5.264 -37.507 1.00 0.00 H new ATOM 0 HB2 PRO A 96 20.895 4.524 -37.763 1.00 0.00 H new ATOM 0 HB3 PRO A 96 19.791 4.375 -39.116 1.00 0.00 H new ATOM 0 HG2 PRO A 96 21.782 6.557 -38.529 1.00 0.00 H new ATOM 0 HG3 PRO A 96 21.425 5.776 -40.056 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.404 8.223 -39.432 1.00 0.00 H new ATOM 0 HD3 PRO A 96 19.521 7.093 -40.439 1.00 0.00 H new ATOM 1499 N GLY A 97 20.724 6.853 -36.081 1.00 0.00 N ATOM 1500 CA GLY A 97 21.267 7.171 -34.773 1.00 0.00 C ATOM 1501 C GLY A 97 20.567 8.350 -34.126 1.00 0.00 C ATOM 1502 O GLY A 97 21.208 9.194 -33.499 1.00 0.00 O ATOM 0 H GLY A 97 21.238 7.251 -36.867 1.00 0.00 H new ATOM 0 HA2 GLY A 97 21.179 6.299 -34.125 1.00 0.00 H new ATOM 0 HA3 GLY A 97 22.330 7.391 -34.868 1.00 0.00 H new ATOM 1506 N CYS A 98 19.249 8.411 -34.279 1.00 0.00 N ATOM 1507 CA CYS A 98 18.461 9.496 -33.707 1.00 0.00 C ATOM 1508 C CYS A 98 17.220 8.954 -33.002 1.00 0.00 C ATOM 1509 O CYS A 98 16.883 9.384 -31.900 1.00 0.00 O ATOM 1510 CB CYS A 98 18.049 10.486 -34.798 1.00 0.00 C ATOM 1511 SG CYS A 98 17.432 12.078 -34.164 1.00 0.00 S ATOM 0 H CYS A 98 18.703 7.721 -34.795 1.00 0.00 H new ATOM 0 HA CYS A 98 19.079 10.012 -32.972 1.00 0.00 H new ATOM 0 HB2 CYS A 98 18.905 10.673 -35.446 1.00 0.00 H new ATOM 0 HB3 CYS A 98 17.276 10.029 -35.415 1.00 0.00 H new ATOM 0 HG CYS A 98 16.979 12.792 -35.151 1.00 0.00 H new ATOM 1516 N GLY A 99 16.545 8.008 -33.647 1.00 0.00 N ATOM 1517 CA GLY A 99 15.350 7.423 -33.068 1.00 0.00 C ATOM 1518 C GLY A 99 14.417 8.466 -32.488 1.00 0.00 C ATOM 1519 O GLY A 99 13.682 8.195 -31.538 1.00 0.00 O ATOM 0 H GLY A 99 16.804 7.636 -34.561 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.822 6.852 -33.832 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.636 6.720 -32.285 1.00 0.00 H new ATOM 1523 N LYS A 100 14.444 9.666 -33.060 1.00 0.00 N ATOM 1524 CA LYS A 100 13.595 10.755 -32.595 1.00 0.00 C ATOM 1525 C LYS A 100 12.290 10.803 -33.384 1.00 0.00 C ATOM 1526 O LYS A 100 12.244 10.405 -34.548 1.00 0.00 O ATOM 1527 CB LYS A 100 14.329 12.092 -32.721 1.00 0.00 C ATOM 1528 CG LYS A 100 13.434 13.300 -32.506 1.00 0.00 C ATOM 1529 CD LYS A 100 13.107 13.498 -31.036 1.00 0.00 C ATOM 1530 CE LYS A 100 12.870 14.964 -30.709 1.00 0.00 C ATOM 1531 NZ LYS A 100 14.127 15.653 -30.307 1.00 0.00 N ATOM 0 H LYS A 100 15.046 9.908 -33.847 1.00 0.00 H new ATOM 0 HA LYS A 100 13.359 10.575 -31.546 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.143 12.120 -31.996 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.781 12.157 -33.711 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.926 14.192 -32.893 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.510 13.175 -33.071 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.220 12.919 -30.779 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.925 13.116 -30.426 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.443 15.465 -31.578 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.139 15.043 -29.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.923 16.650 -30.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.522 15.191 -29.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.816 15.600 -31.084 1.00 0.00 H new ATOM 1545 N ILE A 101 11.234 11.294 -32.744 1.00 0.00 N ATOM 1546 CA ILE A 101 9.931 11.396 -33.388 1.00 0.00 C ATOM 1547 C ILE A 101 9.221 12.686 -32.992 1.00 0.00 C ATOM 1548 O ILE A 101 9.306 13.127 -31.846 1.00 0.00 O ATOM 1549 CB ILE A 101 9.031 10.198 -33.031 1.00 0.00 C ATOM 1550 CG1 ILE A 101 9.863 8.917 -32.936 1.00 0.00 C ATOM 1551 CG2 ILE A 101 7.924 10.041 -34.062 1.00 0.00 C ATOM 1552 CD1 ILE A 101 9.032 7.670 -32.735 1.00 0.00 C ATOM 0 H ILE A 101 11.256 11.627 -31.780 1.00 0.00 H new ATOM 0 HA ILE A 101 10.110 11.398 -34.463 1.00 0.00 H new ATOM 0 HB ILE A 101 8.573 10.384 -32.060 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.452 8.808 -33.846 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.567 9.011 -32.110 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.297 9.190 -33.796 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.317 10.946 -34.085 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.364 9.874 -35.045 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.688 6.801 -32.677 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.462 7.758 -31.810 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.346 7.551 -33.574 1.00 0.00 H new ATOM 1564 N PHE A 102 8.520 13.287 -33.948 1.00 0.00 N ATOM 1565 CA PHE A 102 7.794 14.527 -33.700 1.00 0.00 C ATOM 1566 C PHE A 102 6.338 14.402 -34.138 1.00 0.00 C ATOM 1567 O PHE A 102 6.044 13.867 -35.206 1.00 0.00 O ATOM 1568 CB PHE A 102 8.462 15.690 -34.436 1.00 0.00 C ATOM 1569 CG PHE A 102 9.962 15.620 -34.431 1.00 0.00 C ATOM 1570 CD1 PHE A 102 10.623 14.566 -35.041 1.00 0.00 C ATOM 1571 CD2 PHE A 102 10.713 16.610 -33.817 1.00 0.00 C ATOM 1572 CE1 PHE A 102 12.003 14.499 -35.038 1.00 0.00 C ATOM 1573 CE2 PHE A 102 12.093 16.549 -33.811 1.00 0.00 C ATOM 1574 CZ PHE A 102 12.739 15.492 -34.422 1.00 0.00 C ATOM 0 H PHE A 102 8.439 12.935 -34.902 1.00 0.00 H new ATOM 0 HA PHE A 102 7.817 14.724 -32.628 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.110 15.706 -35.468 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.148 16.628 -33.977 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.052 13.787 -35.525 1.00 0.00 H new ATOM 0 HD2 PHE A 102 10.213 17.439 -33.338 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.505 13.671 -35.517 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.666 17.327 -33.329 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.818 15.442 -34.418 1.00 0.00 H new ATOM 1584 N ALA A 103 5.431 14.898 -33.303 1.00 0.00 N ATOM 1585 CA ALA A 103 4.006 14.844 -33.603 1.00 0.00 C ATOM 1586 C ALA A 103 3.632 15.857 -34.679 1.00 0.00 C ATOM 1587 O ALA A 103 2.551 15.787 -35.264 1.00 0.00 O ATOM 1588 CB ALA A 103 3.191 15.086 -32.341 1.00 0.00 C ATOM 0 H ALA A 103 5.658 15.342 -32.413 1.00 0.00 H new ATOM 0 HA ALA A 103 3.778 13.848 -33.984 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.128 15.043 -32.580 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.428 14.320 -31.602 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.432 16.069 -31.935 1.00 0.00 H new ATOM 1594 N ARG A 104 4.533 16.800 -34.936 1.00 0.00 N ATOM 1595 CA ARG A 104 4.297 17.830 -35.941 1.00 0.00 C ATOM 1596 C ARG A 104 5.200 17.623 -37.153 1.00 0.00 C ATOM 1597 O ARG A 104 6.408 17.432 -37.014 1.00 0.00 O ATOM 1598 CB ARG A 104 4.535 19.218 -35.345 1.00 0.00 C ATOM 1599 CG ARG A 104 3.749 20.320 -36.036 1.00 0.00 C ATOM 1600 CD ARG A 104 3.780 21.613 -35.236 1.00 0.00 C ATOM 1601 NE ARG A 104 3.195 21.449 -33.908 1.00 0.00 N ATOM 1602 CZ ARG A 104 1.890 21.508 -33.667 1.00 0.00 C ATOM 1603 NH1 ARG A 104 1.039 21.725 -34.660 1.00 0.00 N ATOM 1604 NH2 ARG A 104 1.434 21.348 -32.431 1.00 0.00 N ATOM 0 H ARG A 104 5.433 16.872 -34.462 1.00 0.00 H new ATOM 0 HA ARG A 104 3.259 17.755 -36.266 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.268 19.201 -34.288 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.598 19.451 -35.402 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.163 20.495 -37.029 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.716 20.000 -36.173 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.811 21.954 -35.138 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.238 22.388 -35.778 1.00 0.00 H new ATOM 0 HE ARG A 104 3.823 21.280 -33.122 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.386 21.847 -35.611 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.037 21.770 -34.473 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.086 21.180 -31.665 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.432 21.394 -32.247 1.00 0.00 H new ATOM 1618 N SER A 105 4.606 17.664 -38.341 1.00 0.00 N ATOM 1619 CA SER A 105 5.356 17.477 -39.578 1.00 0.00 C ATOM 1620 C SER A 105 6.408 18.569 -39.745 1.00 0.00 C ATOM 1621 O SER A 105 7.573 18.285 -40.025 1.00 0.00 O ATOM 1622 CB SER A 105 4.408 17.479 -40.779 1.00 0.00 C ATOM 1623 OG SER A 105 3.246 16.714 -40.512 1.00 0.00 O ATOM 0 H SER A 105 3.608 17.825 -38.474 1.00 0.00 H new ATOM 0 HA SER A 105 5.862 16.513 -39.525 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.125 18.503 -41.021 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.921 17.075 -41.652 1.00 0.00 H new ATOM 0 HG SER A 105 2.656 16.732 -41.294 1.00 0.00 H new ATOM 1629 N GLU A 106 5.989 19.818 -39.571 1.00 0.00 N ATOM 1630 CA GLU A 106 6.895 20.953 -39.703 1.00 0.00 C ATOM 1631 C GLU A 106 8.077 20.819 -38.747 1.00 0.00 C ATOM 1632 O GLU A 106 9.170 21.315 -39.021 1.00 0.00 O ATOM 1633 CB GLU A 106 6.152 22.262 -39.433 1.00 0.00 C ATOM 1634 CG GLU A 106 6.822 23.481 -40.046 1.00 0.00 C ATOM 1635 CD GLU A 106 6.263 24.785 -39.511 1.00 0.00 C ATOM 1636 OE1 GLU A 106 5.027 24.962 -39.551 1.00 0.00 O ATOM 1637 OE2 GLU A 106 7.061 25.628 -39.052 1.00 0.00 O ATOM 0 H GLU A 106 5.028 20.070 -39.338 1.00 0.00 H new ATOM 0 HA GLU A 106 7.275 20.965 -40.724 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.137 22.181 -39.823 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.069 22.407 -38.356 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.893 23.441 -39.847 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.697 23.454 -41.128 1.00 0.00 H new ATOM 1644 N ASN A 107 7.849 20.147 -37.624 1.00 0.00 N ATOM 1645 CA ASN A 107 8.894 19.949 -36.626 1.00 0.00 C ATOM 1646 C ASN A 107 9.955 18.977 -37.135 1.00 0.00 C ATOM 1647 O ASN A 107 11.144 19.298 -37.165 1.00 0.00 O ATOM 1648 CB ASN A 107 8.290 19.425 -35.322 1.00 0.00 C ATOM 1649 CG ASN A 107 7.741 20.538 -34.450 1.00 0.00 C ATOM 1650 OD1 ASN A 107 7.711 20.425 -33.225 1.00 0.00 O ATOM 1651 ND2 ASN A 107 7.304 21.622 -35.081 1.00 0.00 N ATOM 0 H ASN A 107 6.950 19.730 -37.382 1.00 0.00 H new ATOM 0 HA ASN A 107 9.369 20.912 -36.437 1.00 0.00 H new ATOM 0 HB2 ASN A 107 7.491 18.720 -35.552 1.00 0.00 H new ATOM 0 HB3 ASN A 107 9.051 18.875 -34.768 1.00 0.00 H new ATOM 0 HD21 ASN A 107 6.924 22.404 -34.548 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.348 21.672 -36.099 1.00 0.00 H new ATOM 1658 N LEU A 108 9.517 17.788 -37.534 1.00 0.00 N ATOM 1659 CA LEU A 108 10.428 16.769 -38.043 1.00 0.00 C ATOM 1660 C LEU A 108 11.225 17.295 -39.232 1.00 0.00 C ATOM 1661 O LEU A 108 12.456 17.282 -39.223 1.00 0.00 O ATOM 1662 CB LEU A 108 9.649 15.517 -38.450 1.00 0.00 C ATOM 1663 CG LEU A 108 10.435 14.459 -39.224 1.00 0.00 C ATOM 1664 CD1 LEU A 108 11.731 14.124 -38.502 1.00 0.00 C ATOM 1665 CD2 LEU A 108 9.593 13.207 -39.421 1.00 0.00 C ATOM 0 H LEU A 108 8.537 17.506 -37.515 1.00 0.00 H new ATOM 0 HA LEU A 108 11.126 16.512 -37.247 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.247 15.055 -37.548 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.798 15.825 -39.057 1.00 0.00 H new ATOM 0 HG LEU A 108 10.683 14.863 -40.205 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.278 13.369 -39.067 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.341 15.023 -38.413 1.00 0.00 H new ATOM 0 HD13 LEU A 108 11.505 13.739 -37.508 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.169 12.465 -39.974 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.314 12.800 -38.449 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.692 13.459 -39.981 1.00 0.00 H new ATOM 1677 N LYS A 109 10.515 17.760 -40.254 1.00 0.00 N ATOM 1678 CA LYS A 109 11.155 18.295 -41.451 1.00 0.00 C ATOM 1679 C LYS A 109 12.248 19.293 -41.083 1.00 0.00 C ATOM 1680 O LYS A 109 13.377 19.197 -41.566 1.00 0.00 O ATOM 1681 CB LYS A 109 10.117 18.968 -42.351 1.00 0.00 C ATOM 1682 CG LYS A 109 9.921 20.445 -42.055 1.00 0.00 C ATOM 1683 CD LYS A 109 8.953 21.087 -43.035 1.00 0.00 C ATOM 1684 CE LYS A 109 9.233 20.647 -44.464 1.00 0.00 C ATOM 1685 NZ LYS A 109 8.590 21.550 -45.458 1.00 0.00 N ATOM 0 H LYS A 109 9.495 17.777 -40.278 1.00 0.00 H new ATOM 0 HA LYS A 109 11.612 17.465 -41.991 1.00 0.00 H new ATOM 0 HB2 LYS A 109 10.421 18.852 -43.391 1.00 0.00 H new ATOM 0 HB3 LYS A 109 9.163 18.454 -42.238 1.00 0.00 H new ATOM 0 HG2 LYS A 109 9.545 20.567 -41.039 1.00 0.00 H new ATOM 0 HG3 LYS A 109 10.882 20.957 -42.103 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.931 20.822 -42.765 1.00 0.00 H new ATOM 0 HD3 LYS A 109 9.029 22.172 -42.966 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.310 20.628 -44.634 1.00 0.00 H new ATOM 0 HE3 LYS A 109 8.869 19.630 -44.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 8.804 21.217 -46.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 7.560 21.549 -45.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 8.956 22.516 -45.337 1.00 0.00 H new ATOM 1699 N ILE A 110 11.906 20.249 -40.226 1.00 0.00 N ATOM 1700 CA ILE A 110 12.860 21.262 -39.792 1.00 0.00 C ATOM 1701 C ILE A 110 14.023 20.633 -39.032 1.00 0.00 C ATOM 1702 O ILE A 110 15.151 21.125 -39.083 1.00 0.00 O ATOM 1703 CB ILE A 110 12.189 22.320 -38.896 1.00 0.00 C ATOM 1704 CG1 ILE A 110 11.242 23.192 -39.723 1.00 0.00 C ATOM 1705 CG2 ILE A 110 13.242 23.176 -38.209 1.00 0.00 C ATOM 1706 CD1 ILE A 110 10.336 24.065 -38.882 1.00 0.00 C ATOM 0 H ILE A 110 10.976 20.343 -39.819 1.00 0.00 H new ATOM 0 HA ILE A 110 13.237 21.746 -40.693 1.00 0.00 H new ATOM 0 HB ILE A 110 11.607 21.810 -38.129 1.00 0.00 H new ATOM 0 HG12 ILE A 110 11.831 23.826 -40.386 1.00 0.00 H new ATOM 0 HG13 ILE A 110 10.629 22.550 -40.356 1.00 0.00 H new ATOM 0 HG21 ILE A 110 12.753 23.919 -37.579 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.881 22.543 -37.593 1.00 0.00 H new ATOM 0 HG23 ILE A 110 13.848 23.681 -38.961 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.692 24.656 -39.534 1.00 0.00 H new ATOM 0 HD12 ILE A 110 9.721 23.437 -38.237 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.941 24.732 -38.268 1.00 0.00 H new ATOM 1718 N HIS A 111 13.741 19.541 -38.328 1.00 0.00 N ATOM 1719 CA HIS A 111 14.765 18.842 -37.559 1.00 0.00 C ATOM 1720 C HIS A 111 15.579 17.914 -38.456 1.00 0.00 C ATOM 1721 O HIS A 111 16.693 17.518 -38.110 1.00 0.00 O ATOM 1722 CB HIS A 111 14.123 18.041 -36.426 1.00 0.00 C ATOM 1723 CG HIS A 111 14.952 16.880 -35.969 1.00 0.00 C ATOM 1724 ND1 HIS A 111 15.823 16.950 -34.903 1.00 0.00 N ATOM 1725 CD2 HIS A 111 15.037 15.614 -36.440 1.00 0.00 C ATOM 1726 CE1 HIS A 111 16.410 15.778 -34.738 1.00 0.00 C ATOM 1727 NE2 HIS A 111 15.950 14.949 -35.658 1.00 0.00 N ATOM 0 H HIS A 111 12.813 19.121 -38.274 1.00 0.00 H new ATOM 0 HA HIS A 111 15.436 19.587 -37.132 1.00 0.00 H new ATOM 0 HB2 HIS A 111 13.943 18.704 -35.580 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.151 17.675 -36.756 1.00 0.00 H new ATOM 0 HD1 HIS A 111 15.989 17.778 -34.331 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.489 15.203 -37.275 1.00 0.00 H new ATOM 0 HE1 HIS A 111 17.141 15.538 -33.980 1.00 0.00 H new ATOM 1735 N LYS A 112 15.017 17.570 -39.609 1.00 0.00 N ATOM 1736 CA LYS A 112 15.690 16.689 -40.557 1.00 0.00 C ATOM 1737 C LYS A 112 16.795 17.432 -41.299 1.00 0.00 C ATOM 1738 O LYS A 112 17.797 16.837 -41.697 1.00 0.00 O ATOM 1739 CB LYS A 112 14.683 16.118 -41.558 1.00 0.00 C ATOM 1740 CG LYS A 112 14.021 14.834 -41.089 1.00 0.00 C ATOM 1741 CD LYS A 112 12.616 14.694 -41.650 1.00 0.00 C ATOM 1742 CE LYS A 112 12.636 14.455 -43.152 1.00 0.00 C ATOM 1743 NZ LYS A 112 11.451 15.055 -43.825 1.00 0.00 N ATOM 0 H LYS A 112 14.096 17.888 -39.910 1.00 0.00 H new ATOM 0 HA LYS A 112 16.140 15.869 -39.997 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.913 16.864 -41.752 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.190 15.931 -42.504 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.624 13.979 -41.397 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.982 14.821 -40.000 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.107 13.867 -41.156 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.045 15.596 -41.432 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.547 14.879 -43.575 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.661 13.383 -43.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.502 14.870 -44.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.582 14.633 -43.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.440 16.082 -43.659 1.00 0.00 H new ATOM 1757 N ARG A 113 16.607 18.735 -41.482 1.00 0.00 N ATOM 1758 CA ARG A 113 17.589 19.559 -42.177 1.00 0.00 C ATOM 1759 C ARG A 113 18.827 19.776 -41.311 1.00 0.00 C ATOM 1760 O ARG A 113 19.942 19.894 -41.820 1.00 0.00 O ATOM 1761 CB ARG A 113 16.977 20.908 -42.557 1.00 0.00 C ATOM 1762 CG ARG A 113 16.178 21.552 -41.436 1.00 0.00 C ATOM 1763 CD ARG A 113 15.817 22.993 -41.765 1.00 0.00 C ATOM 1764 NE ARG A 113 16.946 23.898 -41.566 1.00 0.00 N ATOM 1765 CZ ARG A 113 16.821 25.217 -41.470 1.00 0.00 C ATOM 1766 NH1 ARG A 113 15.624 25.781 -41.554 1.00 0.00 N ATOM 1767 NH2 ARG A 113 17.895 25.975 -41.289 1.00 0.00 N ATOM 0 H ARG A 113 15.784 19.243 -41.159 1.00 0.00 H new ATOM 0 HA ARG A 113 17.889 19.035 -43.085 1.00 0.00 H new ATOM 0 HB2 ARG A 113 17.774 21.587 -42.860 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.328 20.772 -43.422 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.268 20.979 -41.261 1.00 0.00 H new ATOM 0 HG3 ARG A 113 16.756 21.522 -40.512 1.00 0.00 H new ATOM 0 HD2 ARG A 113 15.480 23.055 -42.800 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.983 23.310 -41.139 1.00 0.00 H new ATOM 0 HE ARG A 113 17.881 23.496 -41.497 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.796 25.202 -41.693 1.00 0.00 H new ATOM 0 HH12 ARG A 113 15.531 26.794 -41.480 1.00 0.00 H new ATOM 0 HH21 ARG A 113 18.818 25.545 -41.223 1.00 0.00 H new ATOM 0 HH22 ARG A 113 17.798 26.988 -41.215 1.00 0.00 H new ATOM 1884 N PHE A 121 27.232 6.072 -42.119 1.00 0.00 N ATOM 1885 CA PHE A 121 27.890 4.993 -42.847 1.00 0.00 C ATOM 1886 C PHE A 121 29.240 5.450 -43.391 1.00 0.00 C ATOM 1887 O PHE A 121 29.309 6.182 -44.379 1.00 0.00 O ATOM 1888 CB PHE A 121 27.002 4.508 -43.994 1.00 0.00 C ATOM 1889 CG PHE A 121 25.858 3.645 -43.543 1.00 0.00 C ATOM 1890 CD1 PHE A 121 26.016 2.275 -43.414 1.00 0.00 C ATOM 1891 CD2 PHE A 121 24.625 4.204 -43.249 1.00 0.00 C ATOM 1892 CE1 PHE A 121 24.965 1.478 -43.000 1.00 0.00 C ATOM 1893 CE2 PHE A 121 23.571 3.413 -42.834 1.00 0.00 C ATOM 1894 CZ PHE A 121 23.741 2.048 -42.709 1.00 0.00 C ATOM 0 HA PHE A 121 28.058 4.169 -42.154 1.00 0.00 H new ATOM 0 HB2 PHE A 121 26.606 5.373 -44.527 1.00 0.00 H new ATOM 0 HB3 PHE A 121 27.612 3.948 -44.703 1.00 0.00 H new ATOM 0 HD1 PHE A 121 26.971 1.824 -43.639 1.00 0.00 H new ATOM 0 HD2 PHE A 121 24.486 5.271 -43.345 1.00 0.00 H new ATOM 0 HE1 PHE A 121 25.101 0.411 -42.904 1.00 0.00 H new ATOM 0 HE2 PHE A 121 22.615 3.862 -42.608 1.00 0.00 H new ATOM 0 HZ PHE A 121 22.919 1.428 -42.384 1.00 0.00 H new ATOM 1904 N LYS A 122 30.313 5.013 -42.740 1.00 0.00 N ATOM 1905 CA LYS A 122 31.662 5.375 -43.157 1.00 0.00 C ATOM 1906 C LYS A 122 32.321 4.229 -43.919 1.00 0.00 C ATOM 1907 O LYS A 122 32.226 3.068 -43.520 1.00 0.00 O ATOM 1908 CB LYS A 122 32.512 5.747 -41.940 1.00 0.00 C ATOM 1909 CG LYS A 122 33.825 4.989 -41.860 1.00 0.00 C ATOM 1910 CD LYS A 122 34.536 5.241 -40.541 1.00 0.00 C ATOM 1911 CE LYS A 122 33.901 4.451 -39.406 1.00 0.00 C ATOM 1912 NZ LYS A 122 34.301 3.017 -39.438 1.00 0.00 N ATOM 0 H LYS A 122 30.274 4.407 -41.921 1.00 0.00 H new ATOM 0 HA LYS A 122 31.591 6.237 -43.820 1.00 0.00 H new ATOM 0 HB2 LYS A 122 32.721 6.816 -41.967 1.00 0.00 H new ATOM 0 HB3 LYS A 122 31.937 5.557 -41.034 1.00 0.00 H new ATOM 0 HG2 LYS A 122 33.637 3.921 -41.975 1.00 0.00 H new ATOM 0 HG3 LYS A 122 34.470 5.290 -42.685 1.00 0.00 H new ATOM 0 HD2 LYS A 122 35.587 4.966 -40.634 1.00 0.00 H new ATOM 0 HD3 LYS A 122 34.505 6.305 -40.307 1.00 0.00 H new ATOM 0 HE2 LYS A 122 34.193 4.888 -38.451 1.00 0.00 H new ATOM 0 HE3 LYS A 122 32.816 4.527 -39.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 33.889 2.523 -38.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 33.956 2.580 -40.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 35.338 2.945 -39.400 1.00 0.00 H new ATOM 1926 N CYS A 123 32.991 4.564 -45.017 1.00 0.00 N ATOM 1927 CA CYS A 123 33.667 3.564 -45.835 1.00 0.00 C ATOM 1928 C CYS A 123 34.580 2.689 -44.980 1.00 0.00 C ATOM 1929 O CYS A 123 35.570 3.166 -44.425 1.00 0.00 O ATOM 1930 CB CYS A 123 34.480 4.243 -46.939 1.00 0.00 C ATOM 1931 SG CYS A 123 35.386 3.085 -48.014 1.00 0.00 S ATOM 0 H CYS A 123 33.080 5.520 -45.361 1.00 0.00 H new ATOM 0 HA CYS A 123 32.907 2.929 -46.291 1.00 0.00 H new ATOM 0 HB2 CYS A 123 33.809 4.843 -47.553 1.00 0.00 H new ATOM 0 HB3 CYS A 123 35.192 4.930 -46.481 1.00 0.00 H new ATOM 0 HG CYS A 123 36.323 3.725 -48.648 1.00 0.00 H new ATOM 1936 N GLU A 124 34.240 1.408 -44.881 1.00 0.00 N ATOM 1937 CA GLU A 124 35.029 0.468 -44.094 1.00 0.00 C ATOM 1938 C GLU A 124 36.457 0.378 -44.625 1.00 0.00 C ATOM 1939 O GLU A 124 37.346 -0.154 -43.961 1.00 0.00 O ATOM 1940 CB GLU A 124 34.379 -0.917 -44.111 1.00 0.00 C ATOM 1941 CG GLU A 124 32.861 -0.877 -44.064 1.00 0.00 C ATOM 1942 CD GLU A 124 32.261 -2.142 -43.482 1.00 0.00 C ATOM 1943 OE1 GLU A 124 32.855 -2.697 -42.533 1.00 0.00 O ATOM 1944 OE2 GLU A 124 31.200 -2.578 -43.974 1.00 0.00 O ATOM 0 H GLU A 124 33.424 0.998 -45.336 1.00 0.00 H new ATOM 0 HA GLU A 124 35.064 0.833 -43.067 1.00 0.00 H new ATOM 0 HB2 GLU A 124 34.692 -1.445 -45.011 1.00 0.00 H new ATOM 0 HB3 GLU A 124 34.746 -1.492 -43.260 1.00 0.00 H new ATOM 0 HG2 GLU A 124 32.542 -0.021 -43.469 1.00 0.00 H new ATOM 0 HG3 GLU A 124 32.474 -0.726 -45.072 1.00 0.00 H new ATOM 1951 N PHE A 125 36.669 0.901 -45.829 1.00 0.00 N ATOM 1952 CA PHE A 125 37.987 0.878 -46.451 1.00 0.00 C ATOM 1953 C PHE A 125 38.937 1.844 -45.748 1.00 0.00 C ATOM 1954 O PHE A 125 38.686 3.047 -45.694 1.00 0.00 O ATOM 1955 CB PHE A 125 37.881 1.239 -47.934 1.00 0.00 C ATOM 1956 CG PHE A 125 38.926 0.580 -48.788 1.00 0.00 C ATOM 1957 CD1 PHE A 125 38.744 -0.712 -49.256 1.00 0.00 C ATOM 1958 CD2 PHE A 125 40.091 1.251 -49.122 1.00 0.00 C ATOM 1959 CE1 PHE A 125 39.703 -1.321 -50.042 1.00 0.00 C ATOM 1960 CE2 PHE A 125 41.054 0.647 -49.908 1.00 0.00 C ATOM 1961 CZ PHE A 125 40.860 -0.641 -50.368 1.00 0.00 C ATOM 0 H PHE A 125 35.944 1.346 -46.393 1.00 0.00 H new ATOM 0 HA PHE A 125 38.388 -0.131 -46.357 1.00 0.00 H new ATOM 0 HB2 PHE A 125 36.894 0.956 -48.299 1.00 0.00 H new ATOM 0 HB3 PHE A 125 37.963 2.320 -48.043 1.00 0.00 H new ATOM 0 HD1 PHE A 125 37.842 -1.249 -49.003 1.00 0.00 H new ATOM 0 HD2 PHE A 125 40.249 2.258 -48.764 1.00 0.00 H new ATOM 0 HE1 PHE A 125 39.548 -2.328 -50.401 1.00 0.00 H new ATOM 0 HE2 PHE A 125 41.957 1.181 -50.162 1.00 0.00 H new ATOM 0 HZ PHE A 125 41.612 -1.115 -50.981 1.00 0.00 H new ATOM 1971 N GLU A 126 40.027 1.306 -45.210 1.00 0.00 N ATOM 1972 CA GLU A 126 41.014 2.120 -44.509 1.00 0.00 C ATOM 1973 C GLU A 126 41.715 3.073 -45.472 1.00 0.00 C ATOM 1974 O GLU A 126 41.858 2.782 -46.658 1.00 0.00 O ATOM 1975 CB GLU A 126 42.045 1.226 -43.817 1.00 0.00 C ATOM 1976 CG GLU A 126 42.667 1.858 -42.583 1.00 0.00 C ATOM 1977 CD GLU A 126 43.661 0.942 -41.896 1.00 0.00 C ATOM 1978 OE1 GLU A 126 43.653 -0.271 -42.192 1.00 0.00 O ATOM 1979 OE2 GLU A 126 44.447 1.439 -41.063 1.00 0.00 O ATOM 0 H GLU A 126 40.249 0.311 -45.246 1.00 0.00 H new ATOM 0 HA GLU A 126 40.492 2.711 -43.756 1.00 0.00 H new ATOM 0 HB2 GLU A 126 41.568 0.288 -43.533 1.00 0.00 H new ATOM 0 HB3 GLU A 126 42.835 0.980 -44.527 1.00 0.00 H new ATOM 0 HG2 GLU A 126 43.168 2.784 -42.867 1.00 0.00 H new ATOM 0 HG3 GLU A 126 41.878 2.125 -41.880 1.00 0.00 H new ATOM 1986 N GLY A 127 42.152 4.216 -44.950 1.00 0.00 N ATOM 1987 CA GLY A 127 42.833 5.196 -45.776 1.00 0.00 C ATOM 1988 C GLY A 127 41.908 5.844 -46.788 1.00 0.00 C ATOM 1989 O GLY A 127 42.358 6.570 -47.675 1.00 0.00 O ATOM 0 H GLY A 127 42.046 4.480 -43.970 1.00 0.00 H new ATOM 0 HA2 GLY A 127 43.266 5.967 -45.138 1.00 0.00 H new ATOM 0 HA3 GLY A 127 43.659 4.715 -46.299 1.00 0.00 H new ATOM 1993 N CYS A 128 40.613 5.581 -46.656 1.00 0.00 N ATOM 1994 CA CYS A 128 39.622 6.142 -47.567 1.00 0.00 C ATOM 1995 C CYS A 128 38.771 7.196 -46.864 1.00 0.00 C ATOM 1996 O CYS A 128 38.553 7.126 -45.654 1.00 0.00 O ATOM 1997 CB CYS A 128 38.725 5.034 -48.123 1.00 0.00 C ATOM 1998 SG CYS A 128 38.061 5.379 -49.784 1.00 0.00 S ATOM 0 H CYS A 128 40.225 4.983 -45.927 1.00 0.00 H new ATOM 0 HA CYS A 128 40.152 6.619 -48.391 1.00 0.00 H new ATOM 0 HB2 CYS A 128 39.293 4.104 -48.156 1.00 0.00 H new ATOM 0 HB3 CYS A 128 37.893 4.876 -47.436 1.00 0.00 H new ATOM 0 HG CYS A 128 38.196 6.644 -50.051 1.00 0.00 H new ATOM 2003 N ASP A 129 38.293 8.170 -47.630 1.00 0.00 N ATOM 2004 CA ASP A 129 37.466 9.238 -47.082 1.00 0.00 C ATOM 2005 C ASP A 129 36.132 9.324 -47.817 1.00 0.00 C ATOM 2006 O ASP A 129 36.071 9.776 -48.961 1.00 0.00 O ATOM 2007 CB ASP A 129 38.199 10.577 -47.170 1.00 0.00 C ATOM 2008 CG ASP A 129 39.685 10.442 -46.907 1.00 0.00 C ATOM 2009 OD1 ASP A 129 40.053 9.875 -45.856 1.00 0.00 O ATOM 2010 OD2 ASP A 129 40.482 10.902 -47.751 1.00 0.00 O ATOM 0 H ASP A 129 38.464 8.242 -48.633 1.00 0.00 H new ATOM 0 HA ASP A 129 37.269 9.010 -46.035 1.00 0.00 H new ATOM 0 HB2 ASP A 129 38.046 11.007 -48.160 1.00 0.00 H new ATOM 0 HB3 ASP A 129 37.767 11.272 -46.450 1.00 0.00 H new ATOM 2015 N ARG A 130 35.067 8.887 -47.154 1.00 0.00 N ATOM 2016 CA ARG A 130 33.734 8.913 -47.746 1.00 0.00 C ATOM 2017 C ARG A 130 32.682 9.269 -46.700 1.00 0.00 C ATOM 2018 O ARG A 130 33.005 9.515 -45.538 1.00 0.00 O ATOM 2019 CB ARG A 130 33.406 7.557 -48.374 1.00 0.00 C ATOM 2020 CG ARG A 130 34.494 7.034 -49.297 1.00 0.00 C ATOM 2021 CD ARG A 130 34.581 7.852 -50.576 1.00 0.00 C ATOM 2022 NE ARG A 130 35.833 7.619 -51.291 1.00 0.00 N ATOM 2023 CZ ARG A 130 36.212 8.318 -52.355 1.00 0.00 C ATOM 2024 NH1 ARG A 130 35.441 9.288 -52.825 1.00 0.00 N ATOM 2025 NH2 ARG A 130 37.366 8.046 -52.952 1.00 0.00 N ATOM 0 H ARG A 130 35.100 8.511 -46.207 1.00 0.00 H new ATOM 0 HA ARG A 130 33.723 9.678 -48.522 1.00 0.00 H new ATOM 0 HB2 ARG A 130 33.235 6.830 -47.580 1.00 0.00 H new ATOM 0 HB3 ARG A 130 32.475 7.642 -48.935 1.00 0.00 H new ATOM 0 HG2 ARG A 130 35.454 7.060 -48.781 1.00 0.00 H new ATOM 0 HG3 ARG A 130 34.293 5.991 -49.544 1.00 0.00 H new ATOM 0 HD2 ARG A 130 33.741 7.601 -51.224 1.00 0.00 H new ATOM 0 HD3 ARG A 130 34.493 8.911 -50.335 1.00 0.00 H new ATOM 0 HE ARG A 130 36.450 6.879 -50.955 1.00 0.00 H new ATOM 0 HH11 ARG A 130 34.553 9.500 -52.369 1.00 0.00 H new ATOM 0 HH12 ARG A 130 35.735 9.823 -53.642 1.00 0.00 H new ATOM 0 HH21 ARG A 130 37.962 7.300 -52.594 1.00 0.00 H new ATOM 0 HH22 ARG A 130 37.657 8.583 -53.769 1.00 0.00 H new ATOM 2039 N ARG A 131 31.422 9.296 -47.122 1.00 0.00 N ATOM 2040 CA ARG A 131 30.322 9.624 -46.223 1.00 0.00 C ATOM 2041 C ARG A 131 28.983 9.216 -46.830 1.00 0.00 C ATOM 2042 O ARG A 131 28.591 9.713 -47.886 1.00 0.00 O ATOM 2043 CB ARG A 131 30.318 11.122 -45.913 1.00 0.00 C ATOM 2044 CG ARG A 131 30.885 11.977 -47.034 1.00 0.00 C ATOM 2045 CD ARG A 131 31.248 13.370 -46.543 1.00 0.00 C ATOM 2046 NE ARG A 131 30.119 14.293 -46.630 1.00 0.00 N ATOM 2047 CZ ARG A 131 30.072 15.459 -45.995 1.00 0.00 C ATOM 2048 NH1 ARG A 131 31.086 15.842 -45.231 1.00 0.00 N ATOM 2049 NH2 ARG A 131 29.011 16.244 -46.124 1.00 0.00 N ATOM 0 H ARG A 131 31.138 9.095 -48.081 1.00 0.00 H new ATOM 0 HA ARG A 131 30.466 9.068 -45.296 1.00 0.00 H new ATOM 0 HB2 ARG A 131 29.296 11.439 -45.707 1.00 0.00 H new ATOM 0 HB3 ARG A 131 30.895 11.298 -45.005 1.00 0.00 H new ATOM 0 HG2 ARG A 131 31.770 11.494 -47.449 1.00 0.00 H new ATOM 0 HG3 ARG A 131 30.155 12.053 -47.840 1.00 0.00 H new ATOM 0 HD2 ARG A 131 31.590 13.312 -45.510 1.00 0.00 H new ATOM 0 HD3 ARG A 131 32.079 13.757 -47.133 1.00 0.00 H new ATOM 0 HE ARG A 131 29.323 14.028 -47.210 1.00 0.00 H new ATOM 0 HH11 ARG A 131 31.904 15.241 -45.130 1.00 0.00 H new ATOM 0 HH12 ARG A 131 31.048 16.738 -44.744 1.00 0.00 H new ATOM 0 HH21 ARG A 131 28.230 15.953 -46.711 1.00 0.00 H new ATOM 0 HH22 ARG A 131 28.976 17.139 -45.636 1.00 0.00 H new ATOM 2063 N PHE A 132 28.286 8.307 -46.156 1.00 0.00 N ATOM 2064 CA PHE A 132 26.991 7.831 -46.630 1.00 0.00 C ATOM 2065 C PHE A 132 26.001 7.709 -45.476 1.00 0.00 C ATOM 2066 O PHE A 132 26.395 7.551 -44.320 1.00 0.00 O ATOM 2067 CB PHE A 132 27.146 6.479 -47.329 1.00 0.00 C ATOM 2068 CG PHE A 132 28.380 6.382 -48.181 1.00 0.00 C ATOM 2069 CD1 PHE A 132 28.430 6.995 -49.423 1.00 0.00 C ATOM 2070 CD2 PHE A 132 29.489 5.679 -47.740 1.00 0.00 C ATOM 2071 CE1 PHE A 132 29.564 6.907 -50.209 1.00 0.00 C ATOM 2072 CE2 PHE A 132 30.626 5.588 -48.521 1.00 0.00 C ATOM 2073 CZ PHE A 132 30.663 6.204 -49.757 1.00 0.00 C ATOM 0 H PHE A 132 28.596 7.885 -45.280 1.00 0.00 H new ATOM 0 HA PHE A 132 26.603 8.559 -47.343 1.00 0.00 H new ATOM 0 HB2 PHE A 132 27.171 5.691 -46.577 1.00 0.00 H new ATOM 0 HB3 PHE A 132 26.270 6.298 -47.951 1.00 0.00 H new ATOM 0 HD1 PHE A 132 27.574 7.547 -49.781 1.00 0.00 H new ATOM 0 HD2 PHE A 132 29.465 5.196 -46.774 1.00 0.00 H new ATOM 0 HE1 PHE A 132 29.590 7.388 -51.176 1.00 0.00 H new ATOM 0 HE2 PHE A 132 31.484 5.036 -48.166 1.00 0.00 H new ATOM 0 HZ PHE A 132 31.550 6.136 -50.369 1.00 0.00 H new ATOM 2083 N ALA A 133 24.714 7.783 -45.798 1.00 0.00 N ATOM 2084 CA ALA A 133 23.667 7.679 -44.789 1.00 0.00 C ATOM 2085 C ALA A 133 22.984 6.317 -44.845 1.00 0.00 C ATOM 2086 O ALA A 133 22.209 5.964 -43.957 1.00 0.00 O ATOM 2087 CB ALA A 133 22.645 8.792 -44.972 1.00 0.00 C ATOM 0 H ALA A 133 24.371 7.915 -46.750 1.00 0.00 H new ATOM 0 HA ALA A 133 24.130 7.784 -43.808 1.00 0.00 H new ATOM 0 HB1 ALA A 133 21.869 8.702 -44.212 1.00 0.00 H new ATOM 0 HB2 ALA A 133 23.139 9.759 -44.874 1.00 0.00 H new ATOM 0 HB3 ALA A 133 22.194 8.713 -45.961 1.00 0.00 H new ATOM 2093 N ASN A 134 23.276 5.557 -45.895 1.00 0.00 N ATOM 2094 CA ASN A 134 22.688 4.233 -46.067 1.00 0.00 C ATOM 2095 C ASN A 134 23.748 3.217 -46.483 1.00 0.00 C ATOM 2096 O ASN A 134 24.612 3.509 -47.309 1.00 0.00 O ATOM 2097 CB ASN A 134 21.572 4.279 -47.113 1.00 0.00 C ATOM 2098 CG ASN A 134 21.993 5.006 -48.375 1.00 0.00 C ATOM 2099 OD1 ASN A 134 21.978 4.437 -49.467 1.00 0.00 O ATOM 2100 ND2 ASN A 134 22.372 6.271 -48.231 1.00 0.00 N ATOM 0 H ASN A 134 23.916 5.835 -46.639 1.00 0.00 H new ATOM 0 HA ASN A 134 22.268 3.923 -45.110 1.00 0.00 H new ATOM 0 HB2 ASN A 134 21.272 3.262 -47.366 1.00 0.00 H new ATOM 0 HB3 ASN A 134 20.698 4.772 -46.687 1.00 0.00 H new ATOM 0 HD21 ASN A 134 22.666 6.811 -49.045 1.00 0.00 H new ATOM 0 HD22 ASN A 134 22.369 6.702 -47.307 1.00 0.00 H new ATOM 2107 N SER A 135 23.674 2.023 -45.904 1.00 0.00 N ATOM 2108 CA SER A 135 24.628 0.964 -46.211 1.00 0.00 C ATOM 2109 C SER A 135 24.680 0.699 -47.713 1.00 0.00 C ATOM 2110 O SER A 135 25.757 0.607 -48.301 1.00 0.00 O ATOM 2111 CB SER A 135 24.255 -0.320 -45.467 1.00 0.00 C ATOM 2112 OG SER A 135 25.404 -1.105 -45.198 1.00 0.00 O ATOM 0 H SER A 135 22.963 1.765 -45.220 1.00 0.00 H new ATOM 0 HA SER A 135 25.615 1.291 -45.883 1.00 0.00 H new ATOM 0 HB2 SER A 135 23.754 -0.070 -44.532 1.00 0.00 H new ATOM 0 HB3 SER A 135 23.548 -0.897 -46.063 1.00 0.00 H new ATOM 0 HG SER A 135 25.140 -1.919 -44.721 1.00 0.00 H new ATOM 2118 N SER A 136 23.507 0.575 -48.326 1.00 0.00 N ATOM 2119 CA SER A 136 23.418 0.316 -49.758 1.00 0.00 C ATOM 2120 C SER A 136 24.387 1.204 -50.533 1.00 0.00 C ATOM 2121 O SER A 136 25.013 0.764 -51.497 1.00 0.00 O ATOM 2122 CB SER A 136 21.989 0.551 -50.252 1.00 0.00 C ATOM 2123 OG SER A 136 21.116 -0.465 -49.788 1.00 0.00 O ATOM 0 H SER A 136 22.606 0.650 -47.854 1.00 0.00 H new ATOM 0 HA SER A 136 23.689 -0.726 -49.931 1.00 0.00 H new ATOM 0 HB2 SER A 136 21.637 1.523 -49.907 1.00 0.00 H new ATOM 0 HB3 SER A 136 21.977 0.576 -51.342 1.00 0.00 H new ATOM 0 HG SER A 136 20.209 -0.292 -50.116 1.00 0.00 H new ATOM 2129 N ASP A 137 24.505 2.455 -50.103 1.00 0.00 N ATOM 2130 CA ASP A 137 25.399 3.406 -50.754 1.00 0.00 C ATOM 2131 C ASP A 137 26.858 3.064 -50.469 1.00 0.00 C ATOM 2132 O ASP A 137 27.695 3.070 -51.371 1.00 0.00 O ATOM 2133 CB ASP A 137 25.095 4.829 -50.284 1.00 0.00 C ATOM 2134 CG ASP A 137 25.548 5.878 -51.280 1.00 0.00 C ATOM 2135 OD1 ASP A 137 26.764 5.944 -51.561 1.00 0.00 O ATOM 2136 OD2 ASP A 137 24.688 6.632 -51.780 1.00 0.00 O ATOM 0 H ASP A 137 23.993 2.835 -49.307 1.00 0.00 H new ATOM 0 HA ASP A 137 25.233 3.344 -51.830 1.00 0.00 H new ATOM 0 HB2 ASP A 137 24.023 4.931 -50.116 1.00 0.00 H new ATOM 0 HB3 ASP A 137 25.586 5.005 -49.327 1.00 0.00 H new ATOM 2141 N ARG A 138 27.155 2.766 -49.208 1.00 0.00 N ATOM 2142 CA ARG A 138 28.513 2.423 -48.804 1.00 0.00 C ATOM 2143 C ARG A 138 29.028 1.221 -49.590 1.00 0.00 C ATOM 2144 O ARG A 138 30.135 1.245 -50.129 1.00 0.00 O ATOM 2145 CB ARG A 138 28.561 2.124 -47.304 1.00 0.00 C ATOM 2146 CG ARG A 138 29.718 1.225 -46.899 1.00 0.00 C ATOM 2147 CD ARG A 138 29.953 1.262 -45.397 1.00 0.00 C ATOM 2148 NE ARG A 138 29.044 0.372 -44.680 1.00 0.00 N ATOM 2149 CZ ARG A 138 29.131 0.128 -43.377 1.00 0.00 C ATOM 2150 NH1 ARG A 138 30.080 0.705 -42.653 1.00 0.00 N ATOM 2151 NH2 ARG A 138 28.267 -0.695 -42.795 1.00 0.00 N ATOM 0 H ARG A 138 26.474 2.755 -48.449 1.00 0.00 H new ATOM 0 HA ARG A 138 29.155 3.277 -49.019 1.00 0.00 H new ATOM 0 HB2 ARG A 138 28.634 3.064 -46.757 1.00 0.00 H new ATOM 0 HB3 ARG A 138 27.624 1.653 -47.006 1.00 0.00 H new ATOM 0 HG2 ARG A 138 29.511 0.201 -47.211 1.00 0.00 H new ATOM 0 HG3 ARG A 138 30.623 1.540 -47.418 1.00 0.00 H new ATOM 0 HD2 ARG A 138 30.983 0.977 -45.184 1.00 0.00 H new ATOM 0 HD3 ARG A 138 29.823 2.282 -45.035 1.00 0.00 H new ATOM 0 HE ARG A 138 28.302 -0.087 -45.208 1.00 0.00 H new ATOM 0 HH11 ARG A 138 30.746 1.338 -43.096 1.00 0.00 H new ATOM 0 HH12 ARG A 138 30.144 0.516 -41.653 1.00 0.00 H new ATOM 0 HH21 ARG A 138 27.535 -1.141 -43.348 1.00 0.00 H new ATOM 0 HH22 ARG A 138 28.335 -0.881 -41.794 1.00 0.00 H new ATOM 2165 N LYS A 139 28.217 0.170 -49.651 1.00 0.00 N ATOM 2166 CA LYS A 139 28.589 -1.042 -50.372 1.00 0.00 C ATOM 2167 C LYS A 139 28.709 -0.770 -51.868 1.00 0.00 C ATOM 2168 O LYS A 139 29.351 -1.527 -52.597 1.00 0.00 O ATOM 2169 CB LYS A 139 27.556 -2.144 -50.124 1.00 0.00 C ATOM 2170 CG LYS A 139 27.516 -2.628 -48.685 1.00 0.00 C ATOM 2171 CD LYS A 139 26.599 -3.829 -48.525 1.00 0.00 C ATOM 2172 CE LYS A 139 25.135 -3.427 -48.611 1.00 0.00 C ATOM 2173 NZ LYS A 139 24.278 -4.551 -49.081 1.00 0.00 N ATOM 0 H LYS A 139 27.298 0.133 -49.210 1.00 0.00 H new ATOM 0 HA LYS A 139 29.560 -1.372 -50.002 1.00 0.00 H new ATOM 0 HB2 LYS A 139 26.569 -1.774 -50.402 1.00 0.00 H new ATOM 0 HB3 LYS A 139 27.775 -2.989 -50.777 1.00 0.00 H new ATOM 0 HG2 LYS A 139 28.523 -2.892 -48.361 1.00 0.00 H new ATOM 0 HG3 LYS A 139 27.175 -1.820 -48.038 1.00 0.00 H new ATOM 0 HD2 LYS A 139 26.822 -4.564 -49.299 1.00 0.00 H new ATOM 0 HD3 LYS A 139 26.790 -4.309 -47.565 1.00 0.00 H new ATOM 0 HE2 LYS A 139 24.792 -3.094 -47.632 1.00 0.00 H new ATOM 0 HE3 LYS A 139 25.030 -2.581 -49.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 23.288 -4.237 -49.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 24.589 -4.853 -50.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 24.358 -5.349 -48.419 1.00 0.00 H new ATOM 2187 N LYS A 140 28.089 0.314 -52.319 1.00 0.00 N ATOM 2188 CA LYS A 140 28.128 0.688 -53.728 1.00 0.00 C ATOM 2189 C LYS A 140 29.437 1.393 -54.068 1.00 0.00 C ATOM 2190 O LYS A 140 29.838 1.453 -55.231 1.00 0.00 O ATOM 2191 CB LYS A 140 26.944 1.597 -54.069 1.00 0.00 C ATOM 2192 CG LYS A 140 25.703 0.839 -54.509 1.00 0.00 C ATOM 2193 CD LYS A 140 24.514 1.769 -54.679 1.00 0.00 C ATOM 2194 CE LYS A 140 24.787 2.837 -55.728 1.00 0.00 C ATOM 2195 NZ LYS A 140 25.209 2.244 -57.027 1.00 0.00 N ATOM 0 H LYS A 140 27.553 0.950 -51.729 1.00 0.00 H new ATOM 0 HA LYS A 140 28.062 -0.224 -54.322 1.00 0.00 H new ATOM 0 HB2 LYS A 140 26.699 2.203 -53.197 1.00 0.00 H new ATOM 0 HB3 LYS A 140 27.240 2.284 -54.862 1.00 0.00 H new ATOM 0 HG2 LYS A 140 25.903 0.327 -55.450 1.00 0.00 H new ATOM 0 HG3 LYS A 140 25.464 0.072 -53.773 1.00 0.00 H new ATOM 0 HD2 LYS A 140 23.636 1.190 -54.967 1.00 0.00 H new ATOM 0 HD3 LYS A 140 24.283 2.244 -53.726 1.00 0.00 H new ATOM 0 HE2 LYS A 140 23.889 3.437 -55.877 1.00 0.00 H new ATOM 0 HE3 LYS A 140 25.564 3.510 -55.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 25.205 2.980 -57.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 26.168 1.852 -56.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 24.549 1.485 -57.293 1.00 0.00 H new ATOM 2209 N HIS A 141 30.101 1.924 -53.046 1.00 0.00 N ATOM 2210 CA HIS A 141 31.367 2.623 -53.236 1.00 0.00 C ATOM 2211 C HIS A 141 32.537 1.644 -53.207 1.00 0.00 C ATOM 2212 O HIS A 141 33.693 2.039 -53.357 1.00 0.00 O ATOM 2213 CB HIS A 141 31.552 3.690 -52.157 1.00 0.00 C ATOM 2214 CG HIS A 141 32.971 4.145 -52.003 1.00 0.00 C ATOM 2215 ND1 HIS A 141 33.566 5.053 -52.852 1.00 0.00 N ATOM 2216 CD2 HIS A 141 33.912 3.814 -51.088 1.00 0.00 C ATOM 2217 CE1 HIS A 141 34.813 5.260 -52.469 1.00 0.00 C ATOM 2218 NE2 HIS A 141 35.048 4.520 -51.400 1.00 0.00 N ATOM 0 H HIS A 141 29.783 1.883 -52.078 1.00 0.00 H new ATOM 0 HA HIS A 141 31.344 3.106 -54.213 1.00 0.00 H new ATOM 0 HB2 HIS A 141 30.927 4.550 -52.397 1.00 0.00 H new ATOM 0 HB3 HIS A 141 31.200 3.296 -51.204 1.00 0.00 H new ATOM 0 HD2 HIS A 141 33.792 3.124 -50.266 1.00 0.00 H new ATOM 0 HE1 HIS A 141 35.520 5.921 -52.948 1.00 0.00 H new ATOM 0 HE2 HIS A 141 35.930 4.480 -50.889 1.00 0.00 H new ATOM 2226 N MET A 142 32.229 0.366 -53.012 1.00 0.00 N ATOM 2227 CA MET A 142 33.256 -0.668 -52.964 1.00 0.00 C ATOM 2228 C MET A 142 33.553 -1.205 -54.360 1.00 0.00 C ATOM 2229 O MET A 142 34.625 -1.759 -54.608 1.00 0.00 O ATOM 2230 CB MET A 142 32.815 -1.812 -52.048 1.00 0.00 C ATOM 2231 CG MET A 142 32.109 -1.342 -50.786 1.00 0.00 C ATOM 2232 SD MET A 142 33.247 -1.067 -49.415 1.00 0.00 S ATOM 2233 CE MET A 142 33.686 0.649 -49.678 1.00 0.00 C ATOM 0 H MET A 142 31.277 0.022 -52.885 1.00 0.00 H new ATOM 0 HA MET A 142 34.167 -0.222 -52.565 1.00 0.00 H new ATOM 0 HB2 MET A 142 32.149 -2.474 -52.602 1.00 0.00 H new ATOM 0 HB3 MET A 142 33.689 -2.400 -51.768 1.00 0.00 H new ATOM 0 HG2 MET A 142 31.571 -0.418 -50.998 1.00 0.00 H new ATOM 0 HG3 MET A 142 31.365 -2.083 -50.493 1.00 0.00 H new ATOM 0 HE1 MET A 142 34.741 0.794 -49.447 1.00 0.00 H new ATOM 0 HE2 MET A 142 33.502 0.916 -50.719 1.00 0.00 H new ATOM 0 HE3 MET A 142 33.082 1.283 -49.029 1.00 0.00 H new ATOM 2243 N HIS A 143 32.597 -1.039 -55.269 1.00 0.00 N ATOM 2244 CA HIS A 143 32.758 -1.507 -56.641 1.00 0.00 C ATOM 2245 C HIS A 143 34.027 -0.936 -57.265 1.00 0.00 C ATOM 2246 O HIS A 143 34.541 -1.468 -58.249 1.00 0.00 O ATOM 2247 CB HIS A 143 31.542 -1.116 -57.481 1.00 0.00 C ATOM 2248 CG HIS A 143 30.364 -2.021 -57.289 1.00 0.00 C ATOM 2249 ND1 HIS A 143 30.115 -3.113 -58.093 1.00 0.00 N ATOM 2250 CD2 HIS A 143 29.365 -1.993 -56.375 1.00 0.00 C ATOM 2251 CE1 HIS A 143 29.013 -3.716 -57.684 1.00 0.00 C ATOM 2252 NE2 HIS A 143 28.539 -3.056 -56.643 1.00 0.00 N ATOM 0 H HIS A 143 31.704 -0.584 -55.080 1.00 0.00 H new ATOM 0 HA HIS A 143 32.842 -2.594 -56.620 1.00 0.00 H new ATOM 0 HB2 HIS A 143 31.251 -0.096 -57.230 1.00 0.00 H new ATOM 0 HB3 HIS A 143 31.823 -1.118 -58.534 1.00 0.00 H new ATOM 0 HD2 HIS A 143 29.241 -1.269 -55.583 1.00 0.00 H new ATOM 0 HE1 HIS A 143 28.574 -4.599 -58.126 1.00 0.00 H new ATOM 0 HE2 HIS A 143 27.696 -3.297 -56.122 1.00 0.00 H new ATOM 2260 N VAL A 144 34.528 0.151 -56.687 1.00 0.00 N ATOM 2261 CA VAL A 144 35.737 0.795 -57.186 1.00 0.00 C ATOM 2262 C VAL A 144 36.953 0.399 -56.355 1.00 0.00 C ATOM 2263 O VAL A 144 38.095 0.604 -56.769 1.00 0.00 O ATOM 2264 CB VAL A 144 35.601 2.329 -57.179 1.00 0.00 C ATOM 2265 CG1 VAL A 144 34.585 2.769 -56.136 1.00 0.00 C ATOM 2266 CG2 VAL A 144 36.952 2.982 -56.928 1.00 0.00 C ATOM 0 H VAL A 144 34.115 0.604 -55.872 1.00 0.00 H new ATOM 0 HA VAL A 144 35.875 0.456 -58.213 1.00 0.00 H new ATOM 0 HB VAL A 144 35.244 2.650 -58.158 1.00 0.00 H new ATOM 0 HG11 VAL A 144 34.502 3.856 -56.145 1.00 0.00 H new ATOM 0 HG12 VAL A 144 33.615 2.329 -56.365 1.00 0.00 H new ATOM 0 HG13 VAL A 144 34.910 2.438 -55.149 1.00 0.00 H new ATOM 0 HG21 VAL A 144 36.837 4.066 -56.926 1.00 0.00 H new ATOM 0 HG22 VAL A 144 37.340 2.657 -55.963 1.00 0.00 H new ATOM 0 HG23 VAL A 144 37.648 2.692 -57.715 1.00 0.00 H new ATOM 2276 N HIS A 145 36.701 -0.169 -55.180 1.00 0.00 N ATOM 2277 CA HIS A 145 37.775 -0.595 -54.291 1.00 0.00 C ATOM 2278 C HIS A 145 38.371 -1.921 -54.754 1.00 0.00 C ATOM 2279 O HIS A 145 39.482 -2.284 -54.367 1.00 0.00 O ATOM 2280 CB HIS A 145 37.257 -0.727 -52.858 1.00 0.00 C ATOM 2281 CG HIS A 145 37.376 0.534 -52.059 1.00 0.00 C ATOM 2282 ND1 HIS A 145 38.579 1.166 -51.826 1.00 0.00 N ATOM 2283 CD2 HIS A 145 36.433 1.281 -51.439 1.00 0.00 C ATOM 2284 CE1 HIS A 145 38.371 2.247 -51.095 1.00 0.00 C ATOM 2285 NE2 HIS A 145 37.077 2.340 -50.848 1.00 0.00 N ATOM 0 H HIS A 145 35.762 -0.345 -54.822 1.00 0.00 H new ATOM 0 HA HIS A 145 38.558 0.163 -54.318 1.00 0.00 H new ATOM 0 HB2 HIS A 145 36.211 -1.033 -52.885 1.00 0.00 H new ATOM 0 HB3 HIS A 145 37.808 -1.521 -52.353 1.00 0.00 H new ATOM 0 HD1 HIS A 145 39.487 0.849 -52.165 1.00 0.00 H new ATOM 0 HD2 HIS A 145 35.372 1.081 -51.414 1.00 0.00 H new ATOM 0 HE1 HIS A 145 39.130 2.937 -50.757 1.00 0.00 H new