USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=36 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 -155:sc= -2.91! USER MOD Set 1.2: A 128 CYS SG : rot 90:sc= 0.162 USER MOD Set 1.3: A 141 HIS : no HE2:sc= -2.93 K(o=-13,f=-15!) USER MOD Set 1.4: A 142 MET CE :methyl -143:sc= -1.25 (180deg=-0.0855) USER MOD Set 1.5: A 145 HIS : no HD1:sc= -5.74! C(o=-13!,f=-15!) USER MOD Set 2.1: A 134 ASN : amide:sc= -2.68! C(o=-2.3!,f=-4.4!) USER MOD Set 2.2: A 136 SER OG : rot -72:sc= 0.413 USER MOD Set 3.1: A 93 CYS SG : rot -166:sc= -0.101 USER MOD Set 3.2: A 98 CYS SG : rot 140:sc= -0.827 USER MOD Set 3.3: A 111 HIS : no HD1:sc= -3.9 K(o=-4.8,f=-4) USER MOD Set 4.1: A 109 LYS NZ :NH3+ 148:sc= -2.23 (180deg=-1.12) USER MOD Set 4.2: A 112 LYS NZ :NH3+ -131:sc= -1.67 (180deg=-1.08) USER MOD Set 5.1: A 60 CYS SG : rot -132:sc= 0.489 USER MOD Set 5.2: A 65 CYS SG : rot 84:sc= -1.15 USER MOD Set 5.3: A 81 HIS : no HE2:sc= -0.221 K(o=-6.7,f=-11) USER MOD Set 5.4: A 85 HIS : no HE2:sc= -5.79! C(o=-6.7!,f=-11!) USER MOD Set 6.1: A 16 CYS SG : rot -85:sc= -0.997! USER MOD Set 6.2: A 31 CYS SG : rot -65:sc= -0.279 USER MOD Set 6.3: A 44 HIS : no HD1:sc= -6.76! C(o=-18!,f=-20!) USER MOD Set 6.4: A 49 HIS : no HD1:sc= -9.72! C(o=-18!,f=-19!) USER MOD Set 7.1: A 38 MET CE :methyl 178:sc= -1.19 (180deg=-1.22) USER MOD Set 7.2: A 86 THR OG1 : rot -59:sc= 0.289 USER MOD Set 8.1: A 23 GLN : amide:sc= -8.66! C(o=-8.2!,f=-28!) USER MOD Set 8.2: A 28 LYS NZ :NH3+ 160:sc= 0.433 (180deg=-1.87!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 15 SER OG : rot 39:sc= 0.00265 USER MOD Single : A 17 LYS NZ :NH3+ -138:sc= -0.0309 (180deg=-1.48!) USER MOD Single : A 25 SER OG : rot -140:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -112:sc= -0.0948 (180deg=-1.18) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -41:sc=0.000448 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0598 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 82:sc= 0.0708 USER MOD Single : A 46 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.029) USER MOD Single : A 56 ASN : amide:sc= -2.26! C(o=-2.3!,f=-8.3!) USER MOD Single : A 57 ASN : amide:sc= -3.04! K(o=-3!,f=-0.00026) USER MOD Single : A 58 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.7) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0188 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= -0.244 (180deg=-0.689) 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+ 142:sc= 0.0111 (180deg=-0.201) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.782 K(o=-0.78,f=-2.2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= -0.384 USER MOD Single : A 107 ASN : amide:sc=-0.00434 K(o=-0.0043,f=-0.59) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.285) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 HIS : no HD1:sc= -8.27! C(o=-8.3!,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 138 N GLN A 12 -10.065 5.574 -33.394 1.00 0.00 N ATOM 139 CA GLN A 12 -9.458 5.457 -32.074 1.00 0.00 C ATOM 140 C GLN A 12 -9.788 6.673 -31.213 1.00 0.00 C ATOM 141 O GLN A 12 -9.653 7.813 -31.656 1.00 0.00 O ATOM 142 CB GLN A 12 -7.941 5.302 -32.199 1.00 0.00 C ATOM 143 CG GLN A 12 -7.194 6.626 -32.216 1.00 0.00 C ATOM 144 CD GLN A 12 -5.775 6.488 -32.731 1.00 0.00 C ATOM 145 OE1 GLN A 12 -5.079 5.523 -32.416 1.00 0.00 O ATOM 146 NE2 GLN A 12 -5.338 7.456 -33.529 1.00 0.00 N ATOM 0 HA GLN A 12 -9.868 4.570 -31.590 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.576 4.699 -31.368 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.714 4.754 -33.114 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.736 7.337 -32.840 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.172 7.040 -31.208 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.949 8.238 -33.764 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.391 7.417 -33.907 1.00 0.00 H new ATOM 155 N GLU A 13 -10.220 6.420 -29.982 1.00 0.00 N ATOM 156 CA GLU A 13 -10.570 7.495 -29.060 1.00 0.00 C ATOM 157 C GLU A 13 -9.382 7.861 -28.176 1.00 0.00 C ATOM 158 O GLU A 13 -8.709 6.988 -27.628 1.00 0.00 O ATOM 159 CB GLU A 13 -11.760 7.084 -28.190 1.00 0.00 C ATOM 160 CG GLU A 13 -13.108 7.423 -28.803 1.00 0.00 C ATOM 161 CD GLU A 13 -14.232 6.566 -28.254 1.00 0.00 C ATOM 162 OE1 GLU A 13 -14.768 6.907 -27.179 1.00 0.00 O ATOM 163 OE2 GLU A 13 -14.574 5.553 -28.899 1.00 0.00 O ATOM 0 H GLU A 13 -10.336 5.481 -29.600 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.845 8.369 -29.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.713 6.010 -28.008 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.677 7.575 -27.221 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.333 8.473 -28.617 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.054 7.295 -29.884 1.00 0.00 H new ATOM 170 N LEU A 14 -9.130 9.159 -28.042 1.00 0.00 N ATOM 171 CA LEU A 14 -8.023 9.643 -27.225 1.00 0.00 C ATOM 172 C LEU A 14 -8.490 9.962 -25.808 1.00 0.00 C ATOM 173 O LEU A 14 -9.690 10.028 -25.540 1.00 0.00 O ATOM 174 CB LEU A 14 -7.400 10.887 -27.861 1.00 0.00 C ATOM 175 CG LEU A 14 -7.271 10.869 -29.384 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.060 12.277 -29.919 1.00 0.00 C ATOM 177 CD2 LEU A 14 -6.129 9.958 -29.812 1.00 0.00 C ATOM 0 H LEU A 14 -9.677 9.895 -28.489 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.272 8.855 -27.171 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.997 11.753 -27.577 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.407 11.030 -27.434 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.198 10.478 -29.803 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.970 12.244 -31.005 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.910 12.902 -29.644 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.149 12.696 -29.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.052 9.957 -30.899 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.195 10.319 -29.382 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.321 8.944 -29.461 1.00 0.00 H new ATOM 189 N SER A 15 -7.535 10.159 -24.906 1.00 0.00 N ATOM 190 CA SER A 15 -7.848 10.470 -23.516 1.00 0.00 C ATOM 191 C SER A 15 -7.031 11.663 -23.028 1.00 0.00 C ATOM 192 O SER A 15 -5.808 11.689 -23.163 1.00 0.00 O ATOM 193 CB SER A 15 -7.579 9.255 -22.627 1.00 0.00 C ATOM 194 OG SER A 15 -6.353 8.632 -22.971 1.00 0.00 O ATOM 0 H SER A 15 -6.537 10.109 -25.112 1.00 0.00 H new ATOM 0 HA SER A 15 -8.905 10.728 -23.457 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.553 9.564 -21.582 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.395 8.539 -22.727 1.00 0.00 H new ATOM 0 HG SER A 15 -5.687 9.318 -23.188 1.00 0.00 H new ATOM 200 N CYS A 16 -7.717 12.649 -22.461 1.00 0.00 N ATOM 201 CA CYS A 16 -7.058 13.846 -21.953 1.00 0.00 C ATOM 202 C CYS A 16 -7.334 14.028 -20.463 1.00 0.00 C ATOM 203 O CYS A 16 -8.428 14.429 -20.067 1.00 0.00 O ATOM 204 CB CYS A 16 -7.530 15.080 -22.724 1.00 0.00 C ATOM 205 SG CYS A 16 -7.230 16.656 -21.861 1.00 0.00 S ATOM 0 H CYS A 16 -8.730 12.643 -22.342 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.984 13.726 -22.094 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.027 15.106 -23.690 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.597 14.985 -22.923 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.205 16.890 -21.033 1.00 0.00 H new ATOM 210 N LYS A 17 -6.333 13.730 -19.641 1.00 0.00 N ATOM 211 CA LYS A 17 -6.465 13.861 -18.195 1.00 0.00 C ATOM 212 C LYS A 17 -5.787 15.134 -17.700 1.00 0.00 C ATOM 213 O LYS A 17 -4.570 15.170 -17.519 1.00 0.00 O ATOM 214 CB LYS A 17 -5.859 12.642 -17.494 1.00 0.00 C ATOM 215 CG LYS A 17 -6.252 11.319 -18.128 1.00 0.00 C ATOM 216 CD LYS A 17 -7.719 11.304 -18.524 1.00 0.00 C ATOM 217 CE LYS A 17 -8.357 9.952 -18.246 1.00 0.00 C ATOM 218 NZ LYS A 17 -9.202 9.493 -19.384 1.00 0.00 N ATOM 0 H LYS A 17 -5.421 13.396 -19.952 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.527 13.919 -17.956 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.773 12.731 -17.503 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.171 12.642 -16.449 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.635 11.139 -19.008 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.055 10.507 -17.429 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.253 12.079 -17.975 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.813 11.541 -19.584 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.577 9.215 -18.052 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.966 10.016 -17.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.082 9.078 -19.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.429 10.302 -19.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.685 8.778 -19.934 1.00 0.00 H new ATOM 232 N TRP A 18 -6.581 16.176 -17.482 1.00 0.00 N ATOM 233 CA TRP A 18 -6.057 17.451 -17.006 1.00 0.00 C ATOM 234 C TRP A 18 -6.428 17.681 -15.545 1.00 0.00 C ATOM 235 O TRP A 18 -7.598 17.886 -15.218 1.00 0.00 O ATOM 236 CB TRP A 18 -6.588 18.597 -17.867 1.00 0.00 C ATOM 237 CG TRP A 18 -5.910 19.907 -17.598 1.00 0.00 C ATOM 238 CD1 TRP A 18 -5.971 20.639 -16.447 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.071 20.638 -18.498 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.220 21.783 -16.577 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.657 21.805 -17.826 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.627 20.421 -19.805 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -3.823 22.749 -18.419 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -3.800 21.359 -20.392 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.404 22.511 -19.699 1.00 0.00 C ATOM 0 H TRP A 18 -7.591 16.163 -17.627 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.970 17.421 -17.084 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.462 18.340 -18.919 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.658 18.707 -17.692 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.527 20.360 -15.564 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.101 22.499 -15.860 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.925 19.536 -20.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.518 23.638 -17.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.453 21.202 -21.402 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.755 23.225 -20.185 1.00 0.00 H new ATOM 256 N ILE A 19 -5.427 17.647 -14.672 1.00 0.00 N ATOM 257 CA ILE A 19 -5.650 17.854 -13.247 1.00 0.00 C ATOM 258 C ILE A 19 -4.976 19.134 -12.765 1.00 0.00 C ATOM 259 O ILE A 19 -3.762 19.172 -12.568 1.00 0.00 O ATOM 260 CB ILE A 19 -5.126 16.667 -12.417 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.939 15.407 -12.718 1.00 0.00 C ATOM 262 CG2 ILE A 19 -5.178 16.995 -10.932 1.00 0.00 C ATOM 263 CD1 ILE A 19 -5.834 14.348 -11.643 1.00 0.00 C ATOM 0 H ILE A 19 -4.454 17.478 -14.927 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.727 17.938 -13.105 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.088 16.481 -12.692 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.986 15.682 -12.845 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.603 14.986 -13.666 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.805 16.147 -10.359 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.559 17.870 -10.731 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.208 17.204 -10.641 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.436 13.484 -11.924 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.793 14.045 -11.532 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.197 14.752 -10.698 1.00 0.00 H new ATOM 275 N ASP A 20 -5.773 20.180 -12.576 1.00 0.00 N ATOM 276 CA ASP A 20 -5.254 21.462 -12.114 1.00 0.00 C ATOM 277 C ASP A 20 -4.993 21.434 -10.611 1.00 0.00 C ATOM 278 O ASP A 20 -5.921 21.304 -9.814 1.00 0.00 O ATOM 279 CB ASP A 20 -6.235 22.586 -12.453 1.00 0.00 C ATOM 280 CG ASP A 20 -5.678 23.958 -12.131 1.00 0.00 C ATOM 281 OD1 ASP A 20 -4.818 24.443 -12.896 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.100 24.547 -11.114 1.00 0.00 O ATOM 0 H ASP A 20 -6.780 20.165 -12.736 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.309 21.648 -12.625 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.485 22.538 -13.513 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.162 22.434 -11.900 1.00 0.00 H new ATOM 287 N GLU A 21 -3.725 21.555 -10.233 1.00 0.00 N ATOM 288 CA GLU A 21 -3.343 21.541 -8.826 1.00 0.00 C ATOM 289 C GLU A 21 -4.085 22.625 -8.050 1.00 0.00 C ATOM 290 O GLU A 21 -4.265 22.522 -6.837 1.00 0.00 O ATOM 291 CB GLU A 21 -1.833 21.738 -8.682 1.00 0.00 C ATOM 292 CG GLU A 21 -1.011 20.810 -9.561 1.00 0.00 C ATOM 293 CD GLU A 21 -0.522 19.582 -8.817 1.00 0.00 C ATOM 294 OE1 GLU A 21 0.078 19.746 -7.734 1.00 0.00 O ATOM 295 OE2 GLU A 21 -0.739 18.459 -9.317 1.00 0.00 O ATOM 0 H GLU A 21 -2.945 21.664 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.616 20.570 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.585 22.771 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.552 21.581 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.612 20.497 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.154 21.355 -9.957 1.00 0.00 H new ATOM 302 N ALA A 22 -4.512 23.664 -8.759 1.00 0.00 N ATOM 303 CA ALA A 22 -5.236 24.767 -8.139 1.00 0.00 C ATOM 304 C ALA A 22 -6.652 24.350 -7.757 1.00 0.00 C ATOM 305 O ALA A 22 -7.403 25.132 -7.176 1.00 0.00 O ATOM 306 CB ALA A 22 -5.271 25.968 -9.073 1.00 0.00 C ATOM 0 H ALA A 22 -4.369 23.765 -9.764 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.709 25.046 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.815 26.784 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.252 26.289 -9.291 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.771 25.692 -10.002 1.00 0.00 H new ATOM 312 N GLN A 23 -7.008 23.113 -8.089 1.00 0.00 N ATOM 313 CA GLN A 23 -8.336 22.593 -7.781 1.00 0.00 C ATOM 314 C GLN A 23 -8.587 22.598 -6.277 1.00 0.00 C ATOM 315 O GLN A 23 -7.649 22.650 -5.480 1.00 0.00 O ATOM 316 CB GLN A 23 -8.491 21.175 -8.332 1.00 0.00 C ATOM 317 CG GLN A 23 -7.387 20.227 -7.892 1.00 0.00 C ATOM 318 CD GLN A 23 -7.051 19.192 -8.947 1.00 0.00 C ATOM 319 OE1 GLN A 23 -5.897 18.788 -9.093 1.00 0.00 O ATOM 320 NE2 GLN A 23 -8.061 18.755 -9.690 1.00 0.00 N ATOM 0 H GLN A 23 -6.397 22.453 -8.570 1.00 0.00 H new ATOM 0 HA GLN A 23 -9.072 23.242 -8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.452 20.773 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.509 21.217 -9.421 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.492 20.803 -7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.692 19.721 -6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.002 19.117 -9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.896 18.057 -10.416 1.00 0.00 H new ATOM 329 N LEU A 24 -9.858 22.542 -5.894 1.00 0.00 N ATOM 330 CA LEU A 24 -10.233 22.540 -4.484 1.00 0.00 C ATOM 331 C LEU A 24 -10.985 21.264 -4.123 1.00 0.00 C ATOM 332 O LEU A 24 -11.649 21.194 -3.089 1.00 0.00 O ATOM 333 CB LEU A 24 -11.096 23.762 -4.164 1.00 0.00 C ATOM 334 CG LEU A 24 -10.344 25.017 -3.718 1.00 0.00 C ATOM 335 CD1 LEU A 24 -11.240 26.241 -3.822 1.00 0.00 C ATOM 336 CD2 LEU A 24 -9.826 24.851 -2.297 1.00 0.00 C ATOM 0 H LEU A 24 -10.646 22.497 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.320 22.582 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.682 24.009 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.802 23.488 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.490 25.161 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.688 27.124 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.561 26.370 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.114 26.107 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.294 25.753 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.665 24.682 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.148 23.998 -2.254 1.00 0.00 H new ATOM 348 N SER A 25 -10.875 20.255 -4.981 1.00 0.00 N ATOM 349 CA SER A 25 -11.546 18.980 -4.754 1.00 0.00 C ATOM 350 C SER A 25 -10.532 17.874 -4.479 1.00 0.00 C ATOM 351 O SER A 25 -9.404 17.915 -4.970 1.00 0.00 O ATOM 352 CB SER A 25 -12.407 18.610 -5.963 1.00 0.00 C ATOM 353 OG SER A 25 -13.437 19.562 -6.166 1.00 0.00 O ATOM 0 H SER A 25 -10.327 20.296 -5.840 1.00 0.00 H new ATOM 0 HA SER A 25 -12.188 19.086 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.782 18.550 -6.854 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.844 17.623 -5.814 1.00 0.00 H new ATOM 0 HG SER A 25 -14.263 19.101 -6.422 1.00 0.00 H new ATOM 359 N ARG A 26 -10.943 16.886 -3.691 1.00 0.00 N ATOM 360 CA ARG A 26 -10.071 15.768 -3.350 1.00 0.00 C ATOM 361 C ARG A 26 -10.862 14.466 -3.270 1.00 0.00 C ATOM 362 O ARG A 26 -11.934 14.398 -2.668 1.00 0.00 O ATOM 363 CB ARG A 26 -9.367 16.032 -2.017 1.00 0.00 C ATOM 364 CG ARG A 26 -8.039 15.306 -1.876 1.00 0.00 C ATOM 365 CD ARG A 26 -8.238 13.858 -1.455 1.00 0.00 C ATOM 366 NE ARG A 26 -8.541 13.739 -0.031 1.00 0.00 N ATOM 367 CZ ARG A 26 -7.619 13.794 0.924 1.00 0.00 C ATOM 368 NH1 ARG A 26 -6.342 13.965 0.608 1.00 0.00 N ATOM 369 NH2 ARG A 26 -7.973 13.677 2.197 1.00 0.00 N ATOM 0 H ARG A 26 -11.874 16.837 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.322 15.670 -4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.199 17.104 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.025 15.730 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.502 15.340 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.419 15.818 -1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.049 13.420 -2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.338 13.287 -1.683 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.514 13.606 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.066 14.055 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.636 14.007 1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.954 13.545 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.264 13.719 2.929 1.00 0.00 H new ATOM 383 N PRO A 27 -10.323 13.407 -3.893 1.00 0.00 N ATOM 384 CA PRO A 27 -9.049 13.476 -4.613 1.00 0.00 C ATOM 385 C PRO A 27 -9.150 14.300 -5.892 1.00 0.00 C ATOM 386 O PRO A 27 -10.246 14.625 -6.349 1.00 0.00 O ATOM 387 CB PRO A 27 -8.747 12.012 -4.943 1.00 0.00 C ATOM 388 CG PRO A 27 -10.080 11.347 -4.967 1.00 0.00 C ATOM 389 CD PRO A 27 -10.918 12.060 -3.942 1.00 0.00 C ATOM 0 HA PRO A 27 -8.273 13.962 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.241 11.919 -5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.094 11.564 -4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.532 11.415 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.991 10.287 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.967 12.095 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.873 11.565 -2.972 1.00 0.00 H new ATOM 397 N LYS A 28 -8.000 14.635 -6.467 1.00 0.00 N ATOM 398 CA LYS A 28 -7.958 15.420 -7.695 1.00 0.00 C ATOM 399 C LYS A 28 -8.993 14.919 -8.697 1.00 0.00 C ATOM 400 O LYS A 28 -9.578 13.850 -8.519 1.00 0.00 O ATOM 401 CB LYS A 28 -6.560 15.360 -8.316 1.00 0.00 C ATOM 402 CG LYS A 28 -5.469 15.903 -7.411 1.00 0.00 C ATOM 403 CD LYS A 28 -5.956 17.092 -6.600 1.00 0.00 C ATOM 404 CE LYS A 28 -4.801 17.975 -6.156 1.00 0.00 C ATOM 405 NZ LYS A 28 -3.843 18.236 -7.266 1.00 0.00 N ATOM 0 H LYS A 28 -7.084 14.375 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.193 16.454 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.328 14.326 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.561 15.924 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.130 15.117 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.610 16.200 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.655 17.678 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.502 16.738 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.191 18.922 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.276 17.498 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.278 19.081 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.211 17.418 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.369 18.392 -8.149 1.00 0.00 H new ATOM 419 N LYS A 29 -9.214 15.696 -9.752 1.00 0.00 N ATOM 420 CA LYS A 29 -10.176 15.330 -10.784 1.00 0.00 C ATOM 421 C LYS A 29 -9.612 15.603 -12.175 1.00 0.00 C ATOM 422 O LYS A 29 -8.924 16.601 -12.391 1.00 0.00 O ATOM 423 CB LYS A 29 -11.482 16.105 -10.591 1.00 0.00 C ATOM 424 CG LYS A 29 -11.276 17.543 -10.148 1.00 0.00 C ATOM 425 CD LYS A 29 -12.585 18.314 -10.130 1.00 0.00 C ATOM 426 CE LYS A 29 -13.481 17.863 -8.986 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.398 16.765 -9.398 1.00 0.00 N ATOM 0 H LYS A 29 -8.739 16.584 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.377 14.262 -10.695 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.040 16.098 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.094 15.590 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.830 17.558 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.572 18.034 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.379 19.380 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.105 18.173 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.864 17.527 -8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.067 18.710 -8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.378 17.114 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.142 16.439 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.315 15.974 -8.728 1.00 0.00 H new ATOM 441 N SER A 30 -9.909 14.711 -13.115 1.00 0.00 N ATOM 442 CA SER A 30 -9.430 14.855 -14.484 1.00 0.00 C ATOM 443 C SER A 30 -10.545 15.348 -15.402 1.00 0.00 C ATOM 444 O SER A 30 -11.685 14.890 -15.314 1.00 0.00 O ATOM 445 CB SER A 30 -8.882 13.522 -14.998 1.00 0.00 C ATOM 446 OG SER A 30 -9.891 12.527 -15.009 1.00 0.00 O ATOM 0 H SER A 30 -10.479 13.881 -12.953 1.00 0.00 H new ATOM 0 HA SER A 30 -8.629 15.594 -14.486 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.484 13.652 -16.004 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.054 13.198 -14.367 1.00 0.00 H new ATOM 0 HG SER A 30 -9.517 11.685 -15.343 1.00 0.00 H new ATOM 452 N CYS A 31 -10.208 16.284 -16.282 1.00 0.00 N ATOM 453 CA CYS A 31 -11.179 16.841 -17.216 1.00 0.00 C ATOM 454 C CYS A 31 -12.041 15.739 -17.826 1.00 0.00 C ATOM 455 O CYS A 31 -13.181 15.977 -18.223 1.00 0.00 O ATOM 456 CB CYS A 31 -10.464 17.617 -18.325 1.00 0.00 C ATOM 457 SG CYS A 31 -10.174 16.649 -19.841 1.00 0.00 S ATOM 0 H CYS A 31 -9.269 16.673 -16.368 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.827 17.522 -16.665 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.055 18.498 -18.576 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.506 17.973 -17.945 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.348 15.678 -19.585 1.00 0.00 H new ATOM 462 N ASP A 32 -11.487 14.533 -17.896 1.00 0.00 N ATOM 463 CA ASP A 32 -12.205 13.394 -18.455 1.00 0.00 C ATOM 464 C ASP A 32 -12.787 13.737 -19.823 1.00 0.00 C ATOM 465 O ASP A 32 -13.999 13.668 -20.028 1.00 0.00 O ATOM 466 CB ASP A 32 -13.322 12.953 -17.509 1.00 0.00 C ATOM 467 CG ASP A 32 -12.798 12.177 -16.316 1.00 0.00 C ATOM 468 OD1 ASP A 32 -12.288 11.055 -16.517 1.00 0.00 O ATOM 469 OD2 ASP A 32 -12.899 12.691 -15.182 1.00 0.00 O ATOM 0 H ASP A 32 -10.543 14.320 -17.573 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.497 12.574 -18.576 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.864 13.831 -17.158 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.035 12.336 -18.056 1.00 0.00 H new ATOM 474 N ARG A 33 -11.915 14.106 -20.756 1.00 0.00 N ATOM 475 CA ARG A 33 -12.342 14.462 -22.103 1.00 0.00 C ATOM 476 C ARG A 33 -11.913 13.397 -23.109 1.00 0.00 C ATOM 477 O ARG A 33 -10.912 12.707 -22.910 1.00 0.00 O ATOM 478 CB ARG A 33 -11.761 15.820 -22.504 1.00 0.00 C ATOM 479 CG ARG A 33 -12.310 16.354 -23.817 1.00 0.00 C ATOM 480 CD ARG A 33 -13.626 17.088 -23.613 1.00 0.00 C ATOM 481 NE ARG A 33 -14.752 16.168 -23.483 1.00 0.00 N ATOM 482 CZ ARG A 33 -15.895 16.485 -22.885 1.00 0.00 C ATOM 483 NH1 ARG A 33 -16.063 17.694 -22.365 1.00 0.00 N ATOM 484 NH2 ARG A 33 -16.874 15.593 -22.806 1.00 0.00 N ATOM 0 H ARG A 33 -10.908 14.166 -20.603 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.430 14.524 -22.107 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.967 16.542 -21.714 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.677 15.733 -22.582 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.583 17.028 -24.270 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.457 15.529 -24.514 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.560 17.709 -22.719 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.801 17.758 -24.454 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.656 15.230 -23.873 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.313 18.383 -22.424 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.942 17.934 -21.906 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.749 14.662 -23.205 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.751 15.838 -22.347 1.00 0.00 H new ATOM 498 N THR A 34 -12.678 13.268 -24.188 1.00 0.00 N ATOM 499 CA THR A 34 -12.379 12.286 -25.223 1.00 0.00 C ATOM 500 C THR A 34 -12.564 12.881 -26.615 1.00 0.00 C ATOM 501 O THR A 34 -13.235 13.900 -26.781 1.00 0.00 O ATOM 502 CB THR A 34 -13.270 11.038 -25.088 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.599 11.422 -24.716 1.00 0.00 O ATOM 504 CG2 THR A 34 -12.705 10.079 -24.051 1.00 0.00 C ATOM 0 H THR A 34 -13.509 13.831 -24.368 1.00 0.00 H new ATOM 0 HA THR A 34 -11.337 11.995 -25.091 1.00 0.00 H new ATOM 0 HB THR A 34 -13.295 10.531 -26.053 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.160 10.622 -24.634 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.352 9.205 -23.973 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.705 9.765 -24.352 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.653 10.579 -23.084 1.00 0.00 H new ATOM 512 N PHE A 35 -11.966 12.238 -27.612 1.00 0.00 N ATOM 513 CA PHE A 35 -12.066 12.704 -28.991 1.00 0.00 C ATOM 514 C PHE A 35 -11.925 11.541 -29.969 1.00 0.00 C ATOM 515 O PHE A 35 -11.588 10.424 -29.578 1.00 0.00 O ATOM 516 CB PHE A 35 -10.992 13.757 -29.274 1.00 0.00 C ATOM 517 CG PHE A 35 -10.649 14.599 -28.079 1.00 0.00 C ATOM 518 CD1 PHE A 35 -9.846 14.096 -27.068 1.00 0.00 C ATOM 519 CD2 PHE A 35 -11.129 15.894 -27.967 1.00 0.00 C ATOM 520 CE1 PHE A 35 -9.528 14.869 -25.967 1.00 0.00 C ATOM 521 CE2 PHE A 35 -10.813 16.671 -26.869 1.00 0.00 C ATOM 522 CZ PHE A 35 -10.013 16.158 -25.867 1.00 0.00 C ATOM 0 H PHE A 35 -11.407 11.393 -27.492 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.050 13.153 -29.127 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.090 13.258 -29.628 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.334 14.406 -30.080 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -9.464 13.088 -27.141 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.757 16.300 -28.746 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.901 14.465 -25.186 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -11.192 17.680 -26.794 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.767 16.764 -25.007 1.00 0.00 H new ATOM 532 N SER A 36 -12.186 11.814 -31.244 1.00 0.00 N ATOM 533 CA SER A 36 -12.093 10.790 -32.279 1.00 0.00 C ATOM 534 C SER A 36 -10.901 11.051 -33.195 1.00 0.00 C ATOM 535 O SER A 36 -10.547 10.215 -34.026 1.00 0.00 O ATOM 536 CB SER A 36 -13.383 10.747 -33.100 1.00 0.00 C ATOM 537 OG SER A 36 -13.557 9.480 -33.710 1.00 0.00 O ATOM 0 H SER A 36 -12.463 12.735 -31.585 1.00 0.00 H new ATOM 0 HA SER A 36 -11.949 9.826 -31.791 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.235 10.964 -32.456 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.356 11.522 -33.866 1.00 0.00 H new ATOM 0 HG SER A 36 -12.696 9.162 -34.055 1.00 0.00 H new ATOM 543 N THR A 37 -10.286 12.219 -33.037 1.00 0.00 N ATOM 544 CA THR A 37 -9.135 12.593 -33.850 1.00 0.00 C ATOM 545 C THR A 37 -8.125 13.394 -33.037 1.00 0.00 C ATOM 546 O THR A 37 -8.482 14.050 -32.059 1.00 0.00 O ATOM 547 CB THR A 37 -9.560 13.419 -35.078 1.00 0.00 C ATOM 548 OG1 THR A 37 -9.760 14.787 -34.704 1.00 0.00 O ATOM 549 CG2 THR A 37 -10.837 12.863 -35.690 1.00 0.00 C ATOM 0 H THR A 37 -10.566 12.922 -32.353 1.00 0.00 H new ATOM 0 HA THR A 37 -8.672 11.666 -34.188 1.00 0.00 H new ATOM 0 HB THR A 37 -8.764 13.359 -35.821 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.028 15.305 -35.491 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.117 13.463 -36.556 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.672 11.832 -36.002 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.638 12.895 -34.952 1.00 0.00 H new ATOM 557 N MET A 38 -6.862 13.336 -33.448 1.00 0.00 N ATOM 558 CA MET A 38 -5.800 14.059 -32.758 1.00 0.00 C ATOM 559 C MET A 38 -6.125 15.547 -32.668 1.00 0.00 C ATOM 560 O MET A 38 -6.156 16.121 -31.579 1.00 0.00 O ATOM 561 CB MET A 38 -4.466 13.859 -33.479 1.00 0.00 C ATOM 562 CG MET A 38 -3.310 14.609 -32.837 1.00 0.00 C ATOM 563 SD MET A 38 -3.273 14.425 -31.044 1.00 0.00 S ATOM 564 CE MET A 38 -3.314 12.641 -30.885 1.00 0.00 C ATOM 0 H MET A 38 -6.549 12.796 -34.255 1.00 0.00 H new ATOM 0 HA MET A 38 -5.721 13.661 -31.746 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.230 12.795 -33.501 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.569 14.184 -34.514 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.371 14.247 -33.255 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.384 15.667 -33.088 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.260 12.368 -29.831 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.241 12.259 -31.312 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.465 12.209 -31.415 1.00 0.00 H new ATOM 574 N HIS A 39 -6.367 16.166 -33.819 1.00 0.00 N ATOM 575 CA HIS A 39 -6.689 17.588 -33.869 1.00 0.00 C ATOM 576 C HIS A 39 -7.712 17.951 -32.797 1.00 0.00 C ATOM 577 O HIS A 39 -7.556 18.944 -32.088 1.00 0.00 O ATOM 578 CB HIS A 39 -7.227 17.961 -35.251 1.00 0.00 C ATOM 579 CG HIS A 39 -6.970 19.388 -35.628 1.00 0.00 C ATOM 580 ND1 HIS A 39 -7.893 20.394 -35.440 1.00 0.00 N ATOM 581 CD2 HIS A 39 -5.884 19.975 -36.183 1.00 0.00 C ATOM 582 CE1 HIS A 39 -7.388 21.538 -35.865 1.00 0.00 C ATOM 583 NE2 HIS A 39 -6.169 21.311 -36.321 1.00 0.00 N ATOM 0 H HIS A 39 -6.346 15.706 -34.729 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.775 18.150 -33.679 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.772 17.309 -35.997 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.301 17.775 -35.276 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.964 19.484 -36.465 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.887 22.496 -35.843 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.542 22.014 -36.712 1.00 0.00 H new ATOM 591 N GLU A 40 -8.760 17.139 -32.686 1.00 0.00 N ATOM 592 CA GLU A 40 -9.809 17.377 -31.702 1.00 0.00 C ATOM 593 C GLU A 40 -9.225 17.458 -30.294 1.00 0.00 C ATOM 594 O GLU A 40 -9.687 18.241 -29.462 1.00 0.00 O ATOM 595 CB GLU A 40 -10.861 16.268 -31.766 1.00 0.00 C ATOM 596 CG GLU A 40 -11.823 16.409 -32.934 1.00 0.00 C ATOM 597 CD GLU A 40 -12.901 17.444 -32.679 1.00 0.00 C ATOM 598 OE1 GLU A 40 -13.844 17.145 -31.918 1.00 0.00 O ATOM 599 OE2 GLU A 40 -12.801 18.555 -33.242 1.00 0.00 O ATOM 0 H GLU A 40 -8.904 16.312 -33.265 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.282 18.330 -31.937 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.357 15.304 -31.836 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.430 16.264 -30.836 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.265 16.684 -33.829 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.290 15.445 -33.134 1.00 0.00 H new ATOM 606 N LEU A 41 -8.208 16.645 -30.034 1.00 0.00 N ATOM 607 CA LEU A 41 -7.560 16.623 -28.727 1.00 0.00 C ATOM 608 C LEU A 41 -6.726 17.881 -28.512 1.00 0.00 C ATOM 609 O LEU A 41 -6.938 18.623 -27.552 1.00 0.00 O ATOM 610 CB LEU A 41 -6.676 15.382 -28.595 1.00 0.00 C ATOM 611 CG LEU A 41 -5.685 15.385 -27.430 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.406 15.129 -26.115 1.00 0.00 C ATOM 613 CD2 LEU A 41 -4.595 14.346 -27.654 1.00 0.00 C ATOM 0 H LEU A 41 -7.814 15.992 -30.711 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.337 16.590 -27.964 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.322 14.510 -28.494 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.116 15.259 -29.522 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.217 16.368 -27.379 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.685 15.135 -25.298 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.149 15.909 -25.949 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.902 14.159 -26.155 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.899 14.362 -26.815 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.046 13.357 -27.732 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.059 14.574 -28.575 1.00 0.00 H new ATOM 625 N VAL A 42 -5.777 18.117 -29.412 1.00 0.00 N ATOM 626 CA VAL A 42 -4.912 19.288 -29.323 1.00 0.00 C ATOM 627 C VAL A 42 -5.729 20.561 -29.129 1.00 0.00 C ATOM 628 O VAL A 42 -5.536 21.294 -28.159 1.00 0.00 O ATOM 629 CB VAL A 42 -4.040 19.439 -30.583 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.356 20.797 -30.600 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.016 18.316 -30.659 1.00 0.00 C ATOM 0 H VAL A 42 -5.587 17.513 -30.212 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.265 19.139 -28.458 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.684 19.373 -31.460 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.744 20.885 -31.498 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.110 21.584 -30.596 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.723 20.897 -29.718 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.408 18.438 -31.555 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.374 18.348 -29.778 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.531 17.356 -30.698 1.00 0.00 H new ATOM 641 N THR A 43 -6.644 20.818 -30.058 1.00 0.00 N ATOM 642 CA THR A 43 -7.491 22.002 -29.990 1.00 0.00 C ATOM 643 C THR A 43 -8.153 22.127 -28.623 1.00 0.00 C ATOM 644 O THR A 43 -8.464 23.229 -28.171 1.00 0.00 O ATOM 645 CB THR A 43 -8.583 21.975 -31.076 1.00 0.00 C ATOM 646 OG1 THR A 43 -7.984 22.028 -32.375 1.00 0.00 O ATOM 647 CG2 THR A 43 -9.544 23.142 -30.907 1.00 0.00 C ATOM 0 H THR A 43 -6.817 20.222 -30.867 1.00 0.00 H new ATOM 0 HA THR A 43 -6.844 22.863 -30.157 1.00 0.00 H new ATOM 0 HB THR A 43 -9.143 21.046 -30.973 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.695 21.130 -32.639 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.306 23.101 -31.685 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.021 23.082 -29.929 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.995 24.080 -30.986 1.00 0.00 H new ATOM 655 N HIS A 44 -8.365 20.990 -27.967 1.00 0.00 N ATOM 656 CA HIS A 44 -8.990 20.973 -26.649 1.00 0.00 C ATOM 657 C HIS A 44 -7.961 21.252 -25.557 1.00 0.00 C ATOM 658 O HIS A 44 -8.057 22.248 -24.840 1.00 0.00 O ATOM 659 CB HIS A 44 -9.664 19.624 -26.398 1.00 0.00 C ATOM 660 CG HIS A 44 -10.004 19.382 -24.960 1.00 0.00 C ATOM 661 ND1 HIS A 44 -11.219 19.724 -24.406 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.280 18.826 -23.960 1.00 0.00 C ATOM 663 CE1 HIS A 44 -11.227 19.391 -23.127 1.00 0.00 C ATOM 664 NE2 HIS A 44 -10.062 18.844 -22.832 1.00 0.00 N ATOM 0 H HIS A 44 -8.113 20.069 -28.326 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.745 21.758 -26.622 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.576 19.567 -26.993 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.006 18.828 -26.746 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.274 18.440 -24.036 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.047 19.541 -22.440 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.788 18.492 -21.915 1.00 0.00 H new ATOM 672 N VAL A 45 -6.979 20.365 -25.435 1.00 0.00 N ATOM 673 CA VAL A 45 -5.933 20.515 -24.431 1.00 0.00 C ATOM 674 C VAL A 45 -5.257 21.877 -24.541 1.00 0.00 C ATOM 675 O VAL A 45 -4.651 22.362 -23.585 1.00 0.00 O ATOM 676 CB VAL A 45 -4.865 19.413 -24.563 1.00 0.00 C ATOM 677 CG1 VAL A 45 -3.907 19.454 -23.383 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.523 18.046 -24.679 1.00 0.00 C ATOM 0 H VAL A 45 -6.886 19.534 -26.020 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.415 20.429 -23.457 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.291 19.594 -25.472 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.160 18.668 -23.494 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.411 20.424 -23.350 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.462 19.299 -22.458 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.754 17.279 -24.772 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.122 17.854 -23.789 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.165 18.025 -25.560 1.00 0.00 H new ATOM 688 N THR A 46 -5.366 22.492 -25.715 1.00 0.00 N ATOM 689 CA THR A 46 -4.765 23.799 -25.951 1.00 0.00 C ATOM 690 C THR A 46 -5.759 24.920 -25.672 1.00 0.00 C ATOM 691 O THR A 46 -5.496 25.808 -24.861 1.00 0.00 O ATOM 692 CB THR A 46 -4.256 23.930 -27.399 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.422 22.812 -27.728 1.00 0.00 O ATOM 694 CG2 THR A 46 -3.476 25.222 -27.584 1.00 0.00 C ATOM 0 H THR A 46 -5.865 22.106 -26.517 1.00 0.00 H new ATOM 0 HA THR A 46 -3.921 23.886 -25.267 1.00 0.00 H new ATOM 0 HB THR A 46 -5.119 23.947 -28.064 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.955 22.130 -28.187 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.127 25.292 -28.614 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.121 26.072 -27.361 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.620 25.230 -26.909 1.00 0.00 H new ATOM 702 N MET A 47 -6.903 24.872 -26.347 1.00 0.00 N ATOM 703 CA MET A 47 -7.938 25.884 -26.168 1.00 0.00 C ATOM 704 C MET A 47 -8.877 25.506 -25.027 1.00 0.00 C ATOM 705 O MET A 47 -9.147 26.315 -24.140 1.00 0.00 O ATOM 706 CB MET A 47 -8.735 26.063 -27.462 1.00 0.00 C ATOM 707 CG MET A 47 -7.868 26.099 -28.710 1.00 0.00 C ATOM 708 SD MET A 47 -8.746 26.743 -30.147 1.00 0.00 S ATOM 709 CE MET A 47 -7.422 27.597 -30.998 1.00 0.00 C ATOM 0 H MET A 47 -7.137 24.144 -27.022 1.00 0.00 H new ATOM 0 HA MET A 47 -7.450 26.826 -25.916 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.453 25.248 -27.552 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.308 26.988 -27.401 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.989 26.715 -28.520 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.510 25.093 -28.928 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.809 28.050 -31.911 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.016 28.375 -30.351 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.634 26.887 -31.251 1.00 0.00 H new ATOM 719 N GLU A 48 -9.370 24.272 -25.056 1.00 0.00 N ATOM 720 CA GLU A 48 -10.280 23.789 -24.024 1.00 0.00 C ATOM 721 C GLU A 48 -9.545 23.589 -22.702 1.00 0.00 C ATOM 722 O GLU A 48 -10.125 23.122 -21.721 1.00 0.00 O ATOM 723 CB GLU A 48 -10.932 22.476 -24.461 1.00 0.00 C ATOM 724 CG GLU A 48 -11.780 22.606 -25.716 1.00 0.00 C ATOM 725 CD GLU A 48 -13.164 23.155 -25.430 1.00 0.00 C ATOM 726 OE1 GLU A 48 -13.552 23.200 -24.244 1.00 0.00 O ATOM 727 OE2 GLU A 48 -13.859 23.540 -26.393 1.00 0.00 O ATOM 0 H GLU A 48 -9.155 23.589 -25.782 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.056 24.541 -23.879 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.153 21.733 -24.634 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.555 22.101 -23.649 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.274 23.260 -26.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.872 21.629 -26.191 1.00 0.00 H new ATOM 734 N HIS A 49 -8.264 23.944 -22.683 1.00 0.00 N ATOM 735 CA HIS A 49 -7.449 23.804 -21.482 1.00 0.00 C ATOM 736 C HIS A 49 -6.476 24.972 -21.346 1.00 0.00 C ATOM 737 O HIS A 49 -6.663 25.854 -20.508 1.00 0.00 O ATOM 738 CB HIS A 49 -6.677 22.485 -21.515 1.00 0.00 C ATOM 739 CG HIS A 49 -7.358 21.374 -20.775 1.00 0.00 C ATOM 740 ND1 HIS A 49 -8.192 21.588 -19.699 1.00 0.00 N ATOM 741 CD2 HIS A 49 -7.324 20.034 -20.963 1.00 0.00 C ATOM 742 CE1 HIS A 49 -8.642 20.428 -19.255 1.00 0.00 C ATOM 743 NE2 HIS A 49 -8.130 19.469 -20.006 1.00 0.00 N ATOM 0 H HIS A 49 -7.768 24.331 -23.486 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.115 23.806 -20.619 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.532 22.184 -22.553 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.687 22.642 -21.087 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.767 19.508 -21.724 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.314 20.288 -18.421 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.305 18.471 -19.893 1.00 0.00 H new ATOM 751 N VAL A 50 -5.438 24.971 -22.175 1.00 0.00 N ATOM 752 CA VAL A 50 -4.436 26.030 -22.148 1.00 0.00 C ATOM 753 C VAL A 50 -5.013 27.345 -22.661 1.00 0.00 C ATOM 754 O VAL A 50 -4.335 28.372 -22.666 1.00 0.00 O ATOM 755 CB VAL A 50 -3.203 25.659 -22.992 1.00 0.00 C ATOM 756 CG1 VAL A 50 -2.283 26.860 -23.151 1.00 0.00 C ATOM 757 CG2 VAL A 50 -2.461 24.488 -22.364 1.00 0.00 C ATOM 0 H VAL A 50 -5.268 24.248 -22.874 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.131 26.151 -21.108 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.540 25.357 -23.983 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.417 26.578 -23.750 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.821 27.667 -23.648 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.950 27.196 -22.169 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.592 24.239 -22.973 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.134 24.760 -21.360 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.124 23.625 -22.308 1.00 0.00 H new ATOM 767 N GLY A 51 -6.270 27.305 -23.092 1.00 0.00 N ATOM 768 CA GLY A 51 -6.917 28.500 -23.602 1.00 0.00 C ATOM 769 C GLY A 51 -6.309 28.978 -24.905 1.00 0.00 C ATOM 770 O GLY A 51 -5.583 28.238 -25.568 1.00 0.00 O ATOM 0 H GLY A 51 -6.852 26.467 -23.097 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.978 28.299 -23.752 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.845 29.294 -22.858 1.00 0.00 H new ATOM 774 N GLY A 52 -6.607 30.220 -25.276 1.00 0.00 N ATOM 775 CA GLY A 52 -6.078 30.774 -26.508 1.00 0.00 C ATOM 776 C GLY A 52 -4.852 31.635 -26.277 1.00 0.00 C ATOM 777 O GLY A 52 -4.218 31.580 -25.224 1.00 0.00 O ATOM 0 H GLY A 52 -7.206 30.852 -24.745 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.824 29.961 -27.189 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.850 31.369 -26.996 1.00 0.00 H new ATOM 781 N PRO A 53 -4.502 32.453 -27.281 1.00 0.00 N ATOM 782 CA PRO A 53 -3.341 33.345 -27.206 1.00 0.00 C ATOM 783 C PRO A 53 -3.550 34.487 -26.218 1.00 0.00 C ATOM 784 O PRO A 53 -2.682 35.344 -26.054 1.00 0.00 O ATOM 785 CB PRO A 53 -3.218 33.887 -28.633 1.00 0.00 C ATOM 786 CG PRO A 53 -4.593 33.788 -29.195 1.00 0.00 C ATOM 787 CD PRO A 53 -5.212 32.571 -28.566 1.00 0.00 C ATOM 0 HA PRO A 53 -2.450 32.826 -26.854 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.862 34.917 -28.636 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.508 33.303 -29.219 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.173 34.682 -28.967 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.565 33.694 -30.281 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.285 32.695 -28.422 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.073 31.684 -29.185 1.00 0.00 H new ATOM 795 N GLU A 54 -4.706 34.492 -25.562 1.00 0.00 N ATOM 796 CA GLU A 54 -5.027 35.530 -24.590 1.00 0.00 C ATOM 797 C GLU A 54 -4.478 35.174 -23.212 1.00 0.00 C ATOM 798 O GLU A 54 -4.071 36.050 -22.449 1.00 0.00 O ATOM 799 CB GLU A 54 -6.542 35.734 -24.510 1.00 0.00 C ATOM 800 CG GLU A 54 -7.235 35.681 -25.862 1.00 0.00 C ATOM 801 CD GLU A 54 -8.741 35.816 -25.750 1.00 0.00 C ATOM 802 OE1 GLU A 54 -9.204 36.729 -25.036 1.00 0.00 O ATOM 803 OE2 GLU A 54 -9.456 35.007 -26.379 1.00 0.00 O ATOM 0 H GLU A 54 -5.435 33.790 -25.686 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.559 36.458 -24.920 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.970 34.969 -23.862 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.746 36.698 -24.044 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.848 36.479 -26.496 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.994 34.738 -26.353 1.00 0.00 H new ATOM 810 N GLN A 55 -4.471 33.882 -22.900 1.00 0.00 N ATOM 811 CA GLN A 55 -3.974 33.410 -21.613 1.00 0.00 C ATOM 812 C GLN A 55 -2.570 33.943 -21.343 1.00 0.00 C ATOM 813 O GLN A 55 -1.709 33.923 -22.221 1.00 0.00 O ATOM 814 CB GLN A 55 -3.967 31.881 -21.575 1.00 0.00 C ATOM 815 CG GLN A 55 -5.325 31.274 -21.263 1.00 0.00 C ATOM 816 CD GLN A 55 -5.581 31.152 -19.773 1.00 0.00 C ATOM 817 OE1 GLN A 55 -6.578 31.660 -19.260 1.00 0.00 O ATOM 818 NE2 GLN A 55 -4.680 30.476 -19.071 1.00 0.00 N ATOM 0 H GLN A 55 -4.804 33.144 -23.520 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.641 33.783 -20.836 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.622 31.504 -22.538 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.249 31.548 -20.826 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.105 31.888 -21.713 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.392 30.287 -21.721 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.868 30.072 -19.538 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.799 30.361 -18.065 1.00 0.00 H new ATOM 827 N ASN A 56 -2.349 34.420 -20.122 1.00 0.00 N ATOM 828 CA ASN A 56 -1.050 34.960 -19.737 1.00 0.00 C ATOM 829 C ASN A 56 -0.059 33.837 -19.444 1.00 0.00 C ATOM 830 O ASN A 56 0.869 33.598 -20.215 1.00 0.00 O ATOM 831 CB ASN A 56 -1.193 35.862 -18.510 1.00 0.00 C ATOM 832 CG ASN A 56 0.148 36.258 -17.923 1.00 0.00 C ATOM 833 OD1 ASN A 56 0.988 35.405 -17.634 1.00 0.00 O ATOM 834 ND2 ASN A 56 0.355 37.557 -17.744 1.00 0.00 N ATOM 0 H ASN A 56 -3.052 34.444 -19.383 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.668 35.549 -20.570 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.745 36.760 -18.786 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.781 35.347 -17.750 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.239 37.883 -17.353 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.369 38.229 -17.998 1.00 0.00 H new ATOM 841 N ASN A 57 -0.265 33.152 -18.324 1.00 0.00 N ATOM 842 CA ASN A 57 0.610 32.053 -17.929 1.00 0.00 C ATOM 843 C ASN A 57 0.163 30.744 -18.571 1.00 0.00 C ATOM 844 O ASN A 57 -1.007 30.368 -18.490 1.00 0.00 O ATOM 845 CB ASN A 57 0.625 31.909 -16.406 1.00 0.00 C ATOM 846 CG ASN A 57 1.949 31.379 -15.889 1.00 0.00 C ATOM 847 OD1 ASN A 57 2.482 31.874 -14.895 1.00 0.00 O ATOM 848 ND2 ASN A 57 2.485 30.368 -16.562 1.00 0.00 N ATOM 0 H ASN A 57 -1.029 33.338 -17.674 1.00 0.00 H new ATOM 0 HA ASN A 57 1.618 32.281 -18.276 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.421 32.878 -15.950 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.177 31.238 -16.099 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.374 29.969 -16.261 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.007 29.990 -17.380 1.00 0.00 H new ATOM 855 N HIS A 58 1.102 30.052 -19.208 1.00 0.00 N ATOM 856 CA HIS A 58 0.805 28.783 -19.863 1.00 0.00 C ATOM 857 C HIS A 58 1.349 27.612 -19.049 1.00 0.00 C ATOM 858 O HIS A 58 2.556 27.373 -19.016 1.00 0.00 O ATOM 859 CB HIS A 58 1.400 28.760 -21.271 1.00 0.00 C ATOM 860 CG HIS A 58 1.227 30.048 -22.015 1.00 0.00 C ATOM 861 ND1 HIS A 58 2.236 30.635 -22.750 1.00 0.00 N ATOM 862 CD2 HIS A 58 0.153 30.863 -22.137 1.00 0.00 C ATOM 863 CE1 HIS A 58 1.791 31.755 -23.289 1.00 0.00 C ATOM 864 NE2 HIS A 58 0.529 31.917 -22.933 1.00 0.00 N ATOM 0 H HIS A 58 2.075 30.349 -19.285 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.278 28.683 -19.933 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.463 28.529 -21.204 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.934 27.956 -21.840 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.819 30.712 -21.691 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.362 32.425 -23.915 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.069 32.698 -23.205 1.00 0.00 H new ATOM 872 N VAL A 59 0.449 26.885 -18.394 1.00 0.00 N ATOM 873 CA VAL A 59 0.838 25.739 -17.581 1.00 0.00 C ATOM 874 C VAL A 59 -0.112 24.566 -17.795 1.00 0.00 C ATOM 875 O VAL A 59 -1.332 24.734 -17.805 1.00 0.00 O ATOM 876 CB VAL A 59 0.865 26.096 -16.083 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.832 25.191 -15.335 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.236 27.559 -15.892 1.00 0.00 C ATOM 0 H VAL A 59 -0.554 27.069 -18.411 1.00 0.00 H new ATOM 0 HA VAL A 59 1.841 25.453 -17.897 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.132 25.940 -15.672 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.837 25.458 -14.278 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.518 24.153 -15.445 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.835 25.312 -15.745 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.251 27.795 -14.828 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.222 27.743 -16.318 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.501 28.189 -16.393 1.00 0.00 H new ATOM 888 N CYS A 60 0.455 23.376 -17.966 1.00 0.00 N ATOM 889 CA CYS A 60 -0.341 22.173 -18.179 1.00 0.00 C ATOM 890 C CYS A 60 -0.262 21.247 -16.969 1.00 0.00 C ATOM 891 O CYS A 60 0.798 20.703 -16.658 1.00 0.00 O ATOM 892 CB CYS A 60 0.138 21.436 -19.432 1.00 0.00 C ATOM 893 SG CYS A 60 0.108 19.621 -19.283 1.00 0.00 S ATOM 0 H CYS A 60 1.463 23.219 -17.961 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.380 22.473 -18.316 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.486 21.731 -20.275 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.155 21.754 -19.662 1.00 0.00 H new ATOM 0 HG CYS A 60 1.242 19.133 -19.692 1.00 0.00 H new ATOM 898 N TYR A 61 -1.391 21.071 -16.291 1.00 0.00 N ATOM 899 CA TYR A 61 -1.450 20.213 -15.115 1.00 0.00 C ATOM 900 C TYR A 61 -2.038 18.849 -15.464 1.00 0.00 C ATOM 901 O TYR A 61 -3.257 18.682 -15.517 1.00 0.00 O ATOM 902 CB TYR A 61 -2.284 20.874 -14.016 1.00 0.00 C ATOM 903 CG TYR A 61 -2.067 22.367 -13.907 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.638 23.240 -14.825 1.00 0.00 C ATOM 905 CD2 TYR A 61 -1.292 22.904 -12.887 1.00 0.00 C ATOM 906 CE1 TYR A 61 -2.442 24.604 -14.731 1.00 0.00 C ATOM 907 CE2 TYR A 61 -1.092 24.267 -12.784 1.00 0.00 C ATOM 908 CZ TYR A 61 -1.669 25.113 -13.708 1.00 0.00 C ATOM 909 OH TYR A 61 -1.471 26.471 -13.609 1.00 0.00 O ATOM 0 H TYR A 61 -2.278 21.512 -16.536 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.433 20.068 -14.752 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.340 20.682 -14.207 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.043 20.409 -13.060 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.246 22.845 -15.626 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.838 22.245 -12.162 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.891 25.268 -15.454 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.487 24.668 -11.984 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.904 26.663 -12.833 1.00 0.00 H new ATOM 919 N TRP A 62 -1.164 17.878 -15.700 1.00 0.00 N ATOM 920 CA TRP A 62 -1.595 16.528 -16.044 1.00 0.00 C ATOM 921 C TRP A 62 -1.753 15.672 -14.792 1.00 0.00 C ATOM 922 O TRP A 62 -0.999 15.819 -13.831 1.00 0.00 O ATOM 923 CB TRP A 62 -0.593 15.878 -16.999 1.00 0.00 C ATOM 924 CG TRP A 62 -1.231 14.947 -17.986 1.00 0.00 C ATOM 925 CD1 TRP A 62 -1.327 13.589 -17.888 1.00 0.00 C ATOM 926 CD2 TRP A 62 -1.858 15.308 -19.221 1.00 0.00 C ATOM 927 NE1 TRP A 62 -1.977 13.083 -18.988 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.314 14.117 -19.820 1.00 0.00 C ATOM 929 CE3 TRP A 62 -2.082 16.521 -19.879 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -2.978 14.106 -21.044 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -2.740 16.508 -21.094 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.183 15.308 -21.666 1.00 0.00 C ATOM 0 H TRP A 62 -0.152 18.000 -15.660 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.564 16.597 -16.539 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.058 16.659 -17.540 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.148 15.328 -16.418 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.948 12.999 -17.067 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -2.176 12.097 -19.157 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.747 17.452 -19.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.319 13.182 -21.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -2.916 17.439 -21.612 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.696 15.332 -22.616 1.00 0.00 H new ATOM 943 N GLU A 63 -2.736 14.777 -14.812 1.00 0.00 N ATOM 944 CA GLU A 63 -2.991 13.898 -13.677 1.00 0.00 C ATOM 945 C GLU A 63 -1.686 13.337 -13.119 1.00 0.00 C ATOM 946 O GLU A 63 -1.619 12.931 -11.959 1.00 0.00 O ATOM 947 CB GLU A 63 -3.917 12.751 -14.089 1.00 0.00 C ATOM 948 CG GLU A 63 -3.947 11.605 -13.093 1.00 0.00 C ATOM 949 CD GLU A 63 -2.776 10.656 -13.259 1.00 0.00 C ATOM 950 OE1 GLU A 63 -2.136 10.687 -14.331 1.00 0.00 O ATOM 951 OE2 GLU A 63 -2.499 9.883 -12.318 1.00 0.00 O ATOM 0 H GLU A 63 -3.368 14.642 -15.601 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.477 14.485 -12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.928 13.139 -14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.599 12.370 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.942 12.009 -12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.878 11.051 -13.211 1.00 0.00 H new ATOM 958 N GLU A 64 -0.652 13.318 -13.954 1.00 0.00 N ATOM 959 CA GLU A 64 0.650 12.806 -13.545 1.00 0.00 C ATOM 960 C GLU A 64 1.759 13.369 -14.429 1.00 0.00 C ATOM 961 O GLU A 64 2.753 12.695 -14.703 1.00 0.00 O ATOM 962 CB GLU A 64 0.663 11.277 -13.603 1.00 0.00 C ATOM 963 CG GLU A 64 2.029 10.669 -13.335 1.00 0.00 C ATOM 964 CD GLU A 64 1.944 9.326 -12.636 1.00 0.00 C ATOM 965 OE1 GLU A 64 0.824 8.930 -12.249 1.00 0.00 O ATOM 966 OE2 GLU A 64 2.995 8.672 -12.475 1.00 0.00 O ATOM 0 H GLU A 64 -0.691 13.651 -14.917 1.00 0.00 H new ATOM 0 HA GLU A 64 0.831 13.125 -12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.048 10.888 -12.874 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.319 10.956 -14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.561 10.550 -14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.614 11.356 -12.724 1.00 0.00 H new ATOM 973 N CYS A 65 1.581 14.608 -14.874 1.00 0.00 N ATOM 974 CA CYS A 65 2.564 15.263 -15.729 1.00 0.00 C ATOM 975 C CYS A 65 3.978 15.043 -15.198 1.00 0.00 C ATOM 976 O CYS A 65 4.251 15.188 -14.007 1.00 0.00 O ATOM 977 CB CYS A 65 2.271 16.761 -15.824 1.00 0.00 C ATOM 978 SG CYS A 65 2.930 17.554 -17.326 1.00 0.00 S ATOM 0 H CYS A 65 0.764 15.179 -14.657 1.00 0.00 H new ATOM 0 HA CYS A 65 2.495 14.823 -16.724 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.192 16.912 -15.790 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.690 17.259 -14.950 1.00 0.00 H new ATOM 0 HG CYS A 65 2.097 17.381 -18.309 1.00 0.00 H new ATOM 983 N PRO A 66 4.901 14.685 -16.104 1.00 0.00 N ATOM 984 CA PRO A 66 6.302 14.439 -15.751 1.00 0.00 C ATOM 985 C PRO A 66 7.036 15.718 -15.365 1.00 0.00 C ATOM 986 O PRO A 66 8.125 15.671 -14.792 1.00 0.00 O ATOM 987 CB PRO A 66 6.893 13.850 -17.035 1.00 0.00 C ATOM 988 CG PRO A 66 6.027 14.378 -18.127 1.00 0.00 C ATOM 989 CD PRO A 66 4.647 14.494 -17.542 1.00 0.00 C ATOM 0 HA PRO A 66 6.395 13.786 -14.884 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.931 14.155 -17.170 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.882 12.760 -17.013 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.386 15.346 -18.476 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.031 13.708 -18.987 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.099 15.334 -17.968 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.054 13.599 -17.730 1.00 0.00 H new ATOM 997 N ARG A 67 6.433 16.859 -15.682 1.00 0.00 N ATOM 998 CA ARG A 67 7.031 18.152 -15.368 1.00 0.00 C ATOM 999 C ARG A 67 6.510 18.682 -14.036 1.00 0.00 C ATOM 1000 O ARG A 67 7.158 19.504 -13.388 1.00 0.00 O ATOM 1001 CB ARG A 67 6.735 19.158 -16.481 1.00 0.00 C ATOM 1002 CG ARG A 67 7.626 18.996 -17.702 1.00 0.00 C ATOM 1003 CD ARG A 67 7.885 20.331 -18.383 1.00 0.00 C ATOM 1004 NE ARG A 67 9.022 21.034 -17.794 1.00 0.00 N ATOM 1005 CZ ARG A 67 10.284 20.811 -18.142 1.00 0.00 C ATOM 1006 NH1 ARG A 67 10.570 19.910 -19.071 1.00 0.00 N ATOM 1007 NH2 ARG A 67 11.264 21.492 -17.561 1.00 0.00 N ATOM 0 H ARG A 67 5.531 16.915 -16.156 1.00 0.00 H new ATOM 0 HA ARG A 67 8.110 18.016 -15.288 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.694 19.054 -16.785 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.853 20.168 -16.087 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.574 18.548 -17.405 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.157 18.311 -18.408 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.071 20.167 -19.444 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.994 20.955 -18.308 1.00 0.00 H new ATOM 0 HE ARG A 67 8.836 21.734 -17.076 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.820 19.386 -19.521 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.540 19.741 -19.336 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.048 22.187 -16.847 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.233 21.320 -17.829 1.00 0.00 H new ATOM 1021 N GLU A 68 5.335 18.207 -13.634 1.00 0.00 N ATOM 1022 CA GLU A 68 4.727 18.635 -12.380 1.00 0.00 C ATOM 1023 C GLU A 68 4.171 20.051 -12.500 1.00 0.00 C ATOM 1024 O GLU A 68 4.126 20.797 -11.523 1.00 0.00 O ATOM 1025 CB GLU A 68 5.751 18.572 -11.244 1.00 0.00 C ATOM 1026 CG GLU A 68 6.667 17.362 -11.316 1.00 0.00 C ATOM 1027 CD GLU A 68 7.390 17.099 -10.010 1.00 0.00 C ATOM 1028 OE1 GLU A 68 7.776 18.079 -9.338 1.00 0.00 O ATOM 1029 OE2 GLU A 68 7.571 15.915 -9.659 1.00 0.00 O ATOM 0 H GLU A 68 4.786 17.526 -14.158 1.00 0.00 H new ATOM 0 HA GLU A 68 3.903 17.958 -12.155 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.357 19.478 -11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.223 18.561 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.081 16.483 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.400 17.513 -12.109 1.00 0.00 H new ATOM 1036 N GLY A 69 3.750 20.415 -13.708 1.00 0.00 N ATOM 1037 CA GLY A 69 3.203 21.740 -13.935 1.00 0.00 C ATOM 1038 C GLY A 69 4.244 22.831 -13.782 1.00 0.00 C ATOM 1039 O GLY A 69 4.101 23.724 -12.946 1.00 0.00 O ATOM 0 H GLY A 69 3.778 19.816 -14.533 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.777 21.787 -14.937 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.388 21.918 -13.233 1.00 0.00 H new ATOM 1043 N LYS A 70 5.297 22.759 -14.589 1.00 0.00 N ATOM 1044 CA LYS A 70 6.369 23.747 -14.540 1.00 0.00 C ATOM 1045 C LYS A 70 6.228 24.758 -15.673 1.00 0.00 C ATOM 1046 O LYS A 70 6.282 24.397 -16.849 1.00 0.00 O ATOM 1047 CB LYS A 70 7.732 23.056 -14.624 1.00 0.00 C ATOM 1048 CG LYS A 70 8.285 22.637 -13.273 1.00 0.00 C ATOM 1049 CD LYS A 70 9.038 23.773 -12.601 1.00 0.00 C ATOM 1050 CE LYS A 70 9.497 23.388 -11.203 1.00 0.00 C ATOM 1051 NZ LYS A 70 8.429 22.681 -10.444 1.00 0.00 N ATOM 0 H LYS A 70 5.431 22.026 -15.286 1.00 0.00 H new ATOM 0 HA LYS A 70 6.297 24.279 -13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.645 22.176 -15.261 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.442 23.729 -15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.468 22.311 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.951 21.783 -13.400 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.902 24.046 -13.206 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.397 24.653 -12.545 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.377 22.749 -11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.796 24.284 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.700 22.616 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.537 23.208 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.303 21.724 -10.831 1.00 0.00 H new ATOM 1065 N SER A 71 6.050 26.024 -15.312 1.00 0.00 N ATOM 1066 CA SER A 71 5.901 27.087 -16.299 1.00 0.00 C ATOM 1067 C SER A 71 6.985 26.993 -17.368 1.00 0.00 C ATOM 1068 O SER A 71 8.066 26.454 -17.126 1.00 0.00 O ATOM 1069 CB SER A 71 5.957 28.456 -15.619 1.00 0.00 C ATOM 1070 OG SER A 71 7.277 28.767 -15.206 1.00 0.00 O ATOM 0 H SER A 71 6.005 26.339 -14.343 1.00 0.00 H new ATOM 0 HA SER A 71 4.930 26.968 -16.780 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.598 29.222 -16.306 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.291 28.464 -14.756 1.00 0.00 H new ATOM 0 HG SER A 71 7.286 29.648 -14.776 1.00 0.00 H new ATOM 1076 N PHE A 72 6.689 27.521 -18.551 1.00 0.00 N ATOM 1077 CA PHE A 72 7.638 27.496 -19.658 1.00 0.00 C ATOM 1078 C PHE A 72 8.155 28.899 -19.963 1.00 0.00 C ATOM 1079 O PHE A 72 7.781 29.868 -19.302 1.00 0.00 O ATOM 1080 CB PHE A 72 6.983 26.900 -20.906 1.00 0.00 C ATOM 1081 CG PHE A 72 6.649 25.442 -20.768 1.00 0.00 C ATOM 1082 CD1 PHE A 72 5.652 25.024 -19.902 1.00 0.00 C ATOM 1083 CD2 PHE A 72 7.332 24.489 -21.506 1.00 0.00 C ATOM 1084 CE1 PHE A 72 5.343 23.683 -19.773 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.027 23.146 -21.382 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.031 22.743 -20.515 1.00 0.00 C ATOM 0 H PHE A 72 5.800 27.971 -18.768 1.00 0.00 H new ATOM 0 HA PHE A 72 8.482 26.872 -19.366 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.071 27.454 -21.128 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.652 27.033 -21.756 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.110 25.755 -19.321 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.112 24.799 -22.186 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.564 23.371 -19.093 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.567 22.413 -21.963 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.790 21.695 -20.417 1.00 0.00 H new ATOM 1096 N LYS A 73 9.018 29.000 -20.968 1.00 0.00 N ATOM 1097 CA LYS A 73 9.587 30.283 -21.363 1.00 0.00 C ATOM 1098 C LYS A 73 8.804 30.892 -22.522 1.00 0.00 C ATOM 1099 O LYS A 73 9.039 32.036 -22.909 1.00 0.00 O ATOM 1100 CB LYS A 73 11.055 30.112 -21.760 1.00 0.00 C ATOM 1101 CG LYS A 73 11.915 29.508 -20.664 1.00 0.00 C ATOM 1102 CD LYS A 73 13.355 29.982 -20.760 1.00 0.00 C ATOM 1103 CE LYS A 73 14.177 29.086 -21.674 1.00 0.00 C ATOM 1104 NZ LYS A 73 15.590 29.545 -21.775 1.00 0.00 N ATOM 0 H LYS A 73 9.339 28.208 -21.524 1.00 0.00 H new ATOM 0 HA LYS A 73 9.523 30.959 -20.510 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.112 29.479 -22.645 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.463 31.084 -22.037 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.507 29.777 -19.690 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.884 28.421 -20.733 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.378 31.005 -21.135 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.801 29.997 -19.766 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.153 28.063 -21.297 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.728 29.071 -22.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.117 28.909 -22.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.614 30.512 -22.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.026 29.536 -20.831 1.00 0.00 H new ATOM 1118 N ALA A 74 7.871 30.120 -23.070 1.00 0.00 N ATOM 1119 CA ALA A 74 7.051 30.586 -24.182 1.00 0.00 C ATOM 1120 C ALA A 74 5.830 29.693 -24.375 1.00 0.00 C ATOM 1121 O ALA A 74 5.733 28.619 -23.782 1.00 0.00 O ATOM 1122 CB ALA A 74 7.875 30.640 -25.460 1.00 0.00 C ATOM 0 H ALA A 74 7.664 29.170 -22.762 1.00 0.00 H new ATOM 0 HA ALA A 74 6.701 31.591 -23.946 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.250 30.990 -26.282 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.712 31.325 -25.324 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.254 29.644 -25.691 1.00 0.00 H new ATOM 1128 N LYS A 75 4.899 30.144 -25.209 1.00 0.00 N ATOM 1129 CA LYS A 75 3.683 29.386 -25.481 1.00 0.00 C ATOM 1130 C LYS A 75 4.002 28.100 -26.236 1.00 0.00 C ATOM 1131 O LYS A 75 3.587 27.013 -25.832 1.00 0.00 O ATOM 1132 CB LYS A 75 2.700 30.235 -26.291 1.00 0.00 C ATOM 1133 CG LYS A 75 1.526 29.444 -26.843 1.00 0.00 C ATOM 1134 CD LYS A 75 0.520 29.107 -25.756 1.00 0.00 C ATOM 1135 CE LYS A 75 -0.528 30.199 -25.608 1.00 0.00 C ATOM 1136 NZ LYS A 75 -1.591 30.091 -26.645 1.00 0.00 N ATOM 0 H LYS A 75 4.963 31.031 -25.708 1.00 0.00 H new ATOM 0 HA LYS A 75 3.227 29.123 -24.527 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.321 31.039 -25.660 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.233 30.703 -27.118 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.035 30.019 -27.628 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.889 28.524 -27.302 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.031 28.162 -25.992 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.040 28.969 -24.808 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.979 30.138 -24.618 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.048 31.175 -25.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.512 30.329 -26.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.385 30.750 -27.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.619 29.119 -27.013 1.00 0.00 H new ATOM 1150 N TYR A 76 4.742 28.229 -27.331 1.00 0.00 N ATOM 1151 CA TYR A 76 5.116 27.077 -28.142 1.00 0.00 C ATOM 1152 C TYR A 76 5.893 26.057 -27.314 1.00 0.00 C ATOM 1153 O TYR A 76 5.864 24.859 -27.596 1.00 0.00 O ATOM 1154 CB TYR A 76 5.954 27.521 -29.342 1.00 0.00 C ATOM 1155 CG TYR A 76 6.919 28.641 -29.025 1.00 0.00 C ATOM 1156 CD1 TYR A 76 8.048 28.413 -28.247 1.00 0.00 C ATOM 1157 CD2 TYR A 76 6.702 29.928 -29.502 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.932 29.433 -27.954 1.00 0.00 C ATOM 1159 CE2 TYR A 76 7.581 30.954 -29.216 1.00 0.00 C ATOM 1160 CZ TYR A 76 8.695 30.702 -28.441 1.00 0.00 C ATOM 1161 OH TYR A 76 9.572 31.722 -28.153 1.00 0.00 O ATOM 0 H TYR A 76 5.095 29.121 -27.678 1.00 0.00 H new ATOM 0 HA TYR A 76 4.201 26.606 -28.501 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.514 26.666 -29.720 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.287 27.843 -30.141 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.237 27.421 -27.865 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.830 30.129 -30.107 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.804 29.238 -27.347 1.00 0.00 H new ATOM 0 HE2 TYR A 76 7.398 31.948 -29.597 1.00 0.00 H new ATOM 0 HH TYR A 76 9.259 32.551 -28.573 1.00 0.00 H new ATOM 1171 N LYS A 77 6.586 26.542 -26.290 1.00 0.00 N ATOM 1172 CA LYS A 77 7.371 25.675 -25.418 1.00 0.00 C ATOM 1173 C LYS A 77 6.473 24.679 -24.691 1.00 0.00 C ATOM 1174 O LYS A 77 6.826 23.509 -24.535 1.00 0.00 O ATOM 1175 CB LYS A 77 8.150 26.512 -24.401 1.00 0.00 C ATOM 1176 CG LYS A 77 9.059 27.550 -25.036 1.00 0.00 C ATOM 1177 CD LYS A 77 10.226 26.901 -25.761 1.00 0.00 C ATOM 1178 CE LYS A 77 11.408 26.680 -24.830 1.00 0.00 C ATOM 1179 NZ LYS A 77 12.392 25.720 -25.401 1.00 0.00 N ATOM 0 H LYS A 77 6.620 27.531 -26.043 1.00 0.00 H new ATOM 0 HA LYS A 77 8.075 25.119 -26.037 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.444 27.015 -23.740 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.750 25.847 -23.780 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.486 28.157 -25.737 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.437 28.224 -24.267 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.909 25.946 -26.181 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.532 27.531 -26.596 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.901 27.633 -24.636 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.050 26.306 -23.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.182 25.596 -24.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.929 24.803 -25.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.753 26.089 -26.304 1.00 0.00 H new ATOM 1193 N LEU A 78 5.312 25.149 -24.249 1.00 0.00 N ATOM 1194 CA LEU A 78 4.362 24.298 -23.540 1.00 0.00 C ATOM 1195 C LEU A 78 3.478 23.534 -24.520 1.00 0.00 C ATOM 1196 O LEU A 78 3.317 22.319 -24.410 1.00 0.00 O ATOM 1197 CB LEU A 78 3.495 25.140 -22.602 1.00 0.00 C ATOM 1198 CG LEU A 78 2.134 24.548 -22.235 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.307 23.229 -21.498 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.335 25.531 -21.392 1.00 0.00 C ATOM 0 H LEU A 78 5.005 26.114 -24.369 1.00 0.00 H new ATOM 0 HA LEU A 78 4.928 23.576 -22.951 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.053 25.314 -21.682 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.333 26.113 -23.065 1.00 0.00 H new ATOM 0 HG LEU A 78 1.582 24.357 -23.155 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.328 22.823 -21.245 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.839 22.523 -22.136 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.878 23.395 -20.585 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.369 25.093 -21.140 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.882 25.754 -20.476 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.180 26.451 -21.955 1.00 0.00 H new ATOM 1212 N VAL A 79 2.908 24.255 -25.481 1.00 0.00 N ATOM 1213 CA VAL A 79 2.042 23.645 -26.483 1.00 0.00 C ATOM 1214 C VAL A 79 2.702 22.419 -27.106 1.00 0.00 C ATOM 1215 O VAL A 79 2.025 21.470 -27.499 1.00 0.00 O ATOM 1216 CB VAL A 79 1.684 24.644 -27.599 1.00 0.00 C ATOM 1217 CG1 VAL A 79 0.859 23.964 -28.680 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.943 25.841 -27.024 1.00 0.00 C ATOM 0 H VAL A 79 3.031 25.262 -25.586 1.00 0.00 H new ATOM 0 HA VAL A 79 1.129 23.342 -25.970 1.00 0.00 H new ATOM 0 HB VAL A 79 2.608 25.002 -28.053 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.616 24.686 -29.460 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.431 23.142 -29.111 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.062 23.576 -28.245 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.698 26.537 -27.826 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.025 25.504 -26.543 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.575 26.342 -26.290 1.00 0.00 H new ATOM 1228 N ASN A 80 4.028 22.447 -27.191 1.00 0.00 N ATOM 1229 CA ASN A 80 4.780 21.338 -27.767 1.00 0.00 C ATOM 1230 C ASN A 80 4.851 20.166 -26.792 1.00 0.00 C ATOM 1231 O ASN A 80 4.814 19.004 -27.198 1.00 0.00 O ATOM 1232 CB ASN A 80 6.192 21.791 -28.141 1.00 0.00 C ATOM 1233 CG ASN A 80 6.209 22.674 -29.374 1.00 0.00 C ATOM 1234 OD1 ASN A 80 5.179 22.880 -30.017 1.00 0.00 O ATOM 1235 ND2 ASN A 80 7.381 23.200 -29.709 1.00 0.00 N ATOM 0 H ASN A 80 4.604 23.225 -26.869 1.00 0.00 H new ATOM 0 HA ASN A 80 4.262 21.009 -28.668 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.630 22.333 -27.303 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.817 20.915 -28.316 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.454 23.802 -30.529 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.208 23.002 -29.146 1.00 0.00 H new ATOM 1242 N HIS A 81 4.954 20.479 -25.505 1.00 0.00 N ATOM 1243 CA HIS A 81 5.029 19.452 -24.471 1.00 0.00 C ATOM 1244 C HIS A 81 3.739 18.640 -24.418 1.00 0.00 C ATOM 1245 O HIS A 81 3.769 17.418 -24.263 1.00 0.00 O ATOM 1246 CB HIS A 81 5.301 20.089 -23.108 1.00 0.00 C ATOM 1247 CG HIS A 81 4.591 19.411 -21.978 1.00 0.00 C ATOM 1248 ND1 HIS A 81 5.151 18.388 -21.242 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.358 19.616 -21.457 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.293 17.992 -20.319 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.198 18.722 -20.427 1.00 0.00 N ATOM 0 H HIS A 81 4.988 21.435 -25.152 1.00 0.00 H new ATOM 0 HA HIS A 81 5.851 18.780 -24.720 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.374 20.071 -22.915 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.000 21.136 -23.139 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.082 17.998 -21.388 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.635 20.346 -21.790 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.459 17.205 -19.598 1.00 0.00 H new ATOM 1259 N ILE A 82 2.608 19.325 -24.545 1.00 0.00 N ATOM 1260 CA ILE A 82 1.308 18.667 -24.512 1.00 0.00 C ATOM 1261 C ILE A 82 1.258 17.499 -25.491 1.00 0.00 C ATOM 1262 O ILE A 82 0.520 16.535 -25.286 1.00 0.00 O ATOM 1263 CB ILE A 82 0.170 19.650 -24.844 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.361 20.962 -24.080 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -1.179 19.030 -24.513 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -0.869 21.843 -24.075 1.00 0.00 C ATOM 0 H ILE A 82 2.566 20.336 -24.672 1.00 0.00 H new ATOM 0 HA ILE A 82 1.169 18.294 -23.497 1.00 0.00 H new ATOM 0 HB ILE A 82 0.196 19.866 -25.912 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.641 20.736 -23.051 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.191 21.513 -24.522 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.973 19.737 -24.753 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.314 18.120 -25.097 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.218 18.788 -23.451 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.661 22.755 -23.516 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.137 22.099 -25.100 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.696 21.310 -23.606 1.00 0.00 H new ATOM 1278 N ARG A 83 2.049 17.592 -26.555 1.00 0.00 N ATOM 1279 CA ARG A 83 2.095 16.543 -27.567 1.00 0.00 C ATOM 1280 C ARG A 83 2.614 15.237 -26.972 1.00 0.00 C ATOM 1281 O ARG A 83 2.257 14.150 -27.428 1.00 0.00 O ATOM 1282 CB ARG A 83 2.983 16.971 -28.736 1.00 0.00 C ATOM 1283 CG ARG A 83 2.677 18.368 -29.254 1.00 0.00 C ATOM 1284 CD ARG A 83 1.392 18.391 -30.067 1.00 0.00 C ATOM 1285 NE ARG A 83 0.682 17.117 -30.005 1.00 0.00 N ATOM 1286 CZ ARG A 83 0.907 16.109 -30.841 1.00 0.00 C ATOM 1287 NH1 ARG A 83 1.819 16.227 -31.797 1.00 0.00 N ATOM 1288 NH2 ARG A 83 0.220 14.980 -30.722 1.00 0.00 N ATOM 0 H ARG A 83 2.667 18.383 -26.739 1.00 0.00 H new ATOM 0 HA ARG A 83 1.081 16.379 -27.931 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.026 16.929 -28.423 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.866 16.257 -29.551 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.590 19.058 -28.414 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.505 18.718 -29.870 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.744 19.186 -29.698 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.624 18.626 -31.106 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.025 16.994 -29.280 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.350 17.093 -31.892 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.990 15.452 -32.437 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.482 14.885 -29.988 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.394 14.207 -31.365 1.00 0.00 H new ATOM 1302 N VAL A 84 3.458 15.351 -25.952 1.00 0.00 N ATOM 1303 CA VAL A 84 4.026 14.180 -25.294 1.00 0.00 C ATOM 1304 C VAL A 84 2.961 13.418 -24.513 1.00 0.00 C ATOM 1305 O VAL A 84 3.110 12.227 -24.240 1.00 0.00 O ATOM 1306 CB VAL A 84 5.167 14.572 -24.336 1.00 0.00 C ATOM 1307 CG1 VAL A 84 6.113 15.556 -25.008 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.604 15.156 -23.049 1.00 0.00 C ATOM 0 H VAL A 84 3.764 16.243 -25.563 1.00 0.00 H new ATOM 0 HA VAL A 84 4.426 13.539 -26.080 1.00 0.00 H new ATOM 0 HB VAL A 84 5.732 13.675 -24.084 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.913 15.822 -24.317 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.541 15.098 -25.900 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.564 16.454 -25.290 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.424 15.428 -22.384 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.014 16.043 -23.279 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.970 14.416 -22.561 1.00 0.00 H new ATOM 1318 N HIS A 85 1.885 14.113 -24.157 1.00 0.00 N ATOM 1319 CA HIS A 85 0.793 13.502 -23.408 1.00 0.00 C ATOM 1320 C HIS A 85 -0.045 12.599 -24.309 1.00 0.00 C ATOM 1321 O HIS A 85 -0.863 11.813 -23.831 1.00 0.00 O ATOM 1322 CB HIS A 85 -0.091 14.580 -22.782 1.00 0.00 C ATOM 1323 CG HIS A 85 0.514 15.223 -21.573 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.322 14.545 -20.685 1.00 0.00 N ATOM 1325 CD2 HIS A 85 0.427 16.491 -21.107 1.00 0.00 C ATOM 1326 CE1 HIS A 85 1.704 15.367 -19.724 1.00 0.00 C ATOM 1327 NE2 HIS A 85 1.175 16.555 -19.957 1.00 0.00 N ATOM 0 H HIS A 85 1.746 15.100 -24.375 1.00 0.00 H new ATOM 0 HA HIS A 85 1.226 12.893 -22.614 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.296 15.348 -23.528 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.049 14.138 -22.507 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.584 13.562 -20.759 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.128 17.302 -21.556 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.340 15.111 -18.890 1.00 0.00 H new ATOM 1335 N THR A 86 0.163 12.719 -25.617 1.00 0.00 N ATOM 1336 CA THR A 86 -0.575 11.917 -26.584 1.00 0.00 C ATOM 1337 C THR A 86 0.304 10.819 -27.172 1.00 0.00 C ATOM 1338 O THR A 86 -0.081 9.651 -27.201 1.00 0.00 O ATOM 1339 CB THR A 86 -1.126 12.785 -27.731 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.166 12.866 -28.790 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.463 14.184 -27.236 1.00 0.00 C ATOM 0 H THR A 86 0.837 13.364 -26.030 1.00 0.00 H new ATOM 0 HA THR A 86 -1.409 11.464 -26.048 1.00 0.00 H new ATOM 0 HB THR A 86 -2.038 12.319 -28.104 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.665 13.257 -28.449 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.850 14.779 -28.063 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.216 14.120 -26.451 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.564 14.656 -26.839 1.00 0.00 H new ATOM 1407 N PHE A 91 5.818 9.231 -38.507 1.00 0.00 N ATOM 1408 CA PHE A 91 6.859 8.257 -38.813 1.00 0.00 C ATOM 1409 C PHE A 91 8.118 8.532 -37.996 1.00 0.00 C ATOM 1410 O PHE A 91 8.495 9.679 -37.757 1.00 0.00 O ATOM 1411 CB PHE A 91 7.190 8.285 -40.306 1.00 0.00 C ATOM 1412 CG PHE A 91 6.964 9.626 -40.945 1.00 0.00 C ATOM 1413 CD1 PHE A 91 7.689 10.733 -40.537 1.00 0.00 C ATOM 1414 CD2 PHE A 91 6.027 9.778 -41.954 1.00 0.00 C ATOM 1415 CE1 PHE A 91 7.484 11.968 -41.123 1.00 0.00 C ATOM 1416 CE2 PHE A 91 5.818 11.010 -42.544 1.00 0.00 C ATOM 1417 CZ PHE A 91 6.547 12.107 -42.127 1.00 0.00 C ATOM 0 HA PHE A 91 6.485 7.268 -38.549 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.232 7.996 -40.445 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.582 7.540 -40.819 1.00 0.00 H new ATOM 0 HD1 PHE A 91 8.423 10.630 -39.752 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.453 8.924 -42.283 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.056 12.823 -40.796 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.085 11.115 -43.330 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.384 13.071 -42.586 1.00 0.00 H new ATOM 1427 N PRO A 92 8.784 7.454 -37.556 1.00 0.00 N ATOM 1428 CA PRO A 92 10.011 7.552 -36.759 1.00 0.00 C ATOM 1429 C PRO A 92 11.191 8.071 -37.574 1.00 0.00 C ATOM 1430 O PRO A 92 11.014 8.631 -38.656 1.00 0.00 O ATOM 1431 CB PRO A 92 10.261 6.109 -36.315 1.00 0.00 C ATOM 1432 CG PRO A 92 9.592 5.272 -37.350 1.00 0.00 C ATOM 1433 CD PRO A 92 8.392 6.056 -37.804 1.00 0.00 C ATOM 0 HA PRO A 92 9.906 8.255 -35.932 1.00 0.00 H new ATOM 0 HB2 PRO A 92 11.328 5.891 -36.259 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.845 5.922 -35.325 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.265 5.070 -38.184 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.295 4.307 -36.939 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.173 5.881 -38.857 1.00 0.00 H new ATOM 0 HD3 PRO A 92 7.498 5.784 -37.243 1.00 0.00 H new ATOM 1441 N CYS A 93 12.396 7.880 -37.047 1.00 0.00 N ATOM 1442 CA CYS A 93 13.607 8.329 -37.725 1.00 0.00 C ATOM 1443 C CYS A 93 14.150 7.240 -38.646 1.00 0.00 C ATOM 1444 O CYS A 93 14.225 6.066 -38.283 1.00 0.00 O ATOM 1445 CB CYS A 93 14.672 8.725 -36.701 1.00 0.00 C ATOM 1446 SG CYS A 93 16.217 9.349 -37.439 1.00 0.00 S ATOM 0 H CYS A 93 12.560 7.417 -36.153 1.00 0.00 H new ATOM 0 HA CYS A 93 13.354 9.199 -38.331 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.261 9.491 -36.043 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.902 7.860 -36.079 1.00 0.00 H new ATOM 0 HG CYS A 93 17.147 9.387 -36.531 1.00 0.00 H new ATOM 1451 N PRO A 94 14.539 7.638 -39.867 1.00 0.00 N ATOM 1452 CA PRO A 94 15.083 6.712 -40.864 1.00 0.00 C ATOM 1453 C PRO A 94 16.467 6.197 -40.484 1.00 0.00 C ATOM 1454 O PRO A 94 16.895 5.139 -40.946 1.00 0.00 O ATOM 1455 CB PRO A 94 15.159 7.564 -42.134 1.00 0.00 C ATOM 1456 CG PRO A 94 15.270 8.966 -41.643 1.00 0.00 C ATOM 1457 CD PRO A 94 14.477 9.021 -40.366 1.00 0.00 C ATOM 0 HA PRO A 94 14.467 5.819 -40.969 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.019 7.289 -42.744 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.272 7.431 -42.754 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.311 9.237 -41.468 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.877 9.669 -42.377 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.909 9.725 -39.655 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.450 9.338 -40.544 1.00 0.00 H new ATOM 1465 N PHE A 95 17.162 6.952 -39.640 1.00 0.00 N ATOM 1466 CA PHE A 95 18.499 6.572 -39.198 1.00 0.00 C ATOM 1467 C PHE A 95 18.446 5.330 -38.313 1.00 0.00 C ATOM 1468 O PHE A 95 17.688 5.257 -37.345 1.00 0.00 O ATOM 1469 CB PHE A 95 19.155 7.726 -38.437 1.00 0.00 C ATOM 1470 CG PHE A 95 20.631 7.545 -38.230 1.00 0.00 C ATOM 1471 CD1 PHE A 95 21.117 6.461 -37.517 1.00 0.00 C ATOM 1472 CD2 PHE A 95 21.534 8.460 -38.748 1.00 0.00 C ATOM 1473 CE1 PHE A 95 22.475 6.291 -37.325 1.00 0.00 C ATOM 1474 CE2 PHE A 95 22.893 8.295 -38.560 1.00 0.00 C ATOM 1475 CZ PHE A 95 23.364 7.210 -37.846 1.00 0.00 C ATOM 0 H PHE A 95 16.822 7.830 -39.248 1.00 0.00 H new ATOM 0 HA PHE A 95 19.095 6.343 -40.081 1.00 0.00 H new ATOM 0 HB2 PHE A 95 18.984 8.654 -38.982 1.00 0.00 H new ATOM 0 HB3 PHE A 95 18.670 7.833 -37.466 1.00 0.00 H new ATOM 0 HD1 PHE A 95 20.426 5.740 -37.106 1.00 0.00 H new ATOM 0 HD2 PHE A 95 21.171 9.311 -39.305 1.00 0.00 H new ATOM 0 HE1 PHE A 95 22.840 5.441 -36.768 1.00 0.00 H new ATOM 0 HE2 PHE A 95 23.587 9.014 -38.971 1.00 0.00 H new ATOM 0 HZ PHE A 95 24.426 7.081 -37.696 1.00 0.00 H new ATOM 1485 N PRO A 96 19.271 4.328 -38.651 1.00 0.00 N ATOM 1486 CA PRO A 96 19.338 3.070 -37.902 1.00 0.00 C ATOM 1487 C PRO A 96 19.964 3.250 -36.523 1.00 0.00 C ATOM 1488 O PRO A 96 21.072 3.770 -36.396 1.00 0.00 O ATOM 1489 CB PRO A 96 20.223 2.181 -38.779 1.00 0.00 C ATOM 1490 CG PRO A 96 21.060 3.133 -39.560 1.00 0.00 C ATOM 1491 CD PRO A 96 20.202 4.345 -39.792 1.00 0.00 C ATOM 0 HA PRO A 96 18.348 2.655 -37.713 1.00 0.00 H new ATOM 0 HB2 PRO A 96 20.839 1.516 -38.174 1.00 0.00 H new ATOM 0 HB3 PRO A 96 19.624 1.550 -39.435 1.00 0.00 H new ATOM 0 HG2 PRO A 96 21.966 3.395 -39.013 1.00 0.00 H new ATOM 0 HG3 PRO A 96 21.375 2.691 -40.505 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.795 5.259 -39.813 1.00 0.00 H new ATOM 0 HD3 PRO A 96 19.673 4.287 -40.743 1.00 0.00 H new ATOM 1499 N GLY A 97 19.247 2.815 -35.491 1.00 0.00 N ATOM 1500 CA GLY A 97 19.749 2.937 -34.135 1.00 0.00 C ATOM 1501 C GLY A 97 19.365 4.254 -33.491 1.00 0.00 C ATOM 1502 O GLY A 97 19.605 4.466 -32.301 1.00 0.00 O ATOM 0 H GLY A 97 18.328 2.380 -35.570 1.00 0.00 H new ATOM 0 HA2 GLY A 97 19.362 2.115 -33.532 1.00 0.00 H new ATOM 0 HA3 GLY A 97 20.835 2.843 -34.143 1.00 0.00 H new ATOM 1506 N CYS A 98 18.769 5.144 -34.277 1.00 0.00 N ATOM 1507 CA CYS A 98 18.353 6.449 -33.778 1.00 0.00 C ATOM 1508 C CYS A 98 17.027 6.348 -33.030 1.00 0.00 C ATOM 1509 O CYS A 98 16.779 7.090 -32.080 1.00 0.00 O ATOM 1510 CB CYS A 98 18.224 7.443 -34.934 1.00 0.00 C ATOM 1511 SG CYS A 98 18.073 9.181 -34.407 1.00 0.00 S ATOM 0 H CYS A 98 18.563 4.985 -35.263 1.00 0.00 H new ATOM 0 HA CYS A 98 19.115 6.805 -33.085 1.00 0.00 H new ATOM 0 HB2 CYS A 98 19.095 7.345 -35.582 1.00 0.00 H new ATOM 0 HB3 CYS A 98 17.351 7.178 -35.531 1.00 0.00 H new ATOM 0 HG CYS A 98 18.770 9.938 -35.202 1.00 0.00 H new ATOM 1516 N GLY A 99 16.177 5.422 -33.466 1.00 0.00 N ATOM 1517 CA GLY A 99 14.887 5.240 -32.826 1.00 0.00 C ATOM 1518 C GLY A 99 14.246 6.555 -32.429 1.00 0.00 C ATOM 1519 O GLY A 99 13.422 6.602 -31.515 1.00 0.00 O ATOM 0 H GLY A 99 16.359 4.796 -34.250 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.221 4.705 -33.503 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.009 4.617 -31.940 1.00 0.00 H new ATOM 1523 N LYS A 100 14.626 7.628 -33.115 1.00 0.00 N ATOM 1524 CA LYS A 100 14.083 8.951 -32.829 1.00 0.00 C ATOM 1525 C LYS A 100 12.816 9.206 -33.639 1.00 0.00 C ATOM 1526 O LYS A 100 12.680 8.723 -34.763 1.00 0.00 O ATOM 1527 CB LYS A 100 15.125 10.029 -33.137 1.00 0.00 C ATOM 1528 CG LYS A 100 14.554 11.436 -33.162 1.00 0.00 C ATOM 1529 CD LYS A 100 14.284 11.953 -31.759 1.00 0.00 C ATOM 1530 CE LYS A 100 14.441 13.464 -31.681 1.00 0.00 C ATOM 1531 NZ LYS A 100 14.770 13.917 -30.302 1.00 0.00 N ATOM 0 H LYS A 100 15.308 7.607 -33.873 1.00 0.00 H new ATOM 0 HA LYS A 100 13.829 8.992 -31.770 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.917 9.981 -32.390 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.583 9.814 -34.102 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.251 12.104 -33.669 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.629 11.444 -33.738 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.275 11.675 -31.456 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.970 11.478 -31.057 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.227 13.783 -32.365 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.518 13.942 -32.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.869 14.952 -30.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.008 13.635 -29.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.664 13.481 -29.997 1.00 0.00 H new ATOM 1545 N ILE A 101 11.894 9.968 -33.061 1.00 0.00 N ATOM 1546 CA ILE A 101 10.640 10.289 -33.731 1.00 0.00 C ATOM 1547 C ILE A 101 10.246 11.743 -33.494 1.00 0.00 C ATOM 1548 O ILE A 101 10.601 12.336 -32.475 1.00 0.00 O ATOM 1549 CB ILE A 101 9.496 9.375 -33.252 1.00 0.00 C ATOM 1550 CG1 ILE A 101 10.027 7.973 -32.950 1.00 0.00 C ATOM 1551 CG2 ILE A 101 8.392 9.316 -34.298 1.00 0.00 C ATOM 1552 CD1 ILE A 101 8.943 6.980 -32.593 1.00 0.00 C ATOM 0 H ILE A 101 11.992 10.374 -32.131 1.00 0.00 H new ATOM 0 HA ILE A 101 10.802 10.128 -34.797 1.00 0.00 H new ATOM 0 HB ILE A 101 9.079 9.790 -32.335 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.573 7.605 -33.819 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.739 8.033 -32.127 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.591 8.666 -33.945 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.998 10.318 -34.468 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.795 8.921 -35.231 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.392 6.008 -32.392 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.411 7.325 -31.706 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.243 6.891 -33.424 1.00 0.00 H new ATOM 1564 N PHE A 102 9.510 12.313 -34.442 1.00 0.00 N ATOM 1565 CA PHE A 102 9.067 13.698 -34.337 1.00 0.00 C ATOM 1566 C PHE A 102 7.589 13.825 -34.696 1.00 0.00 C ATOM 1567 O PHE A 102 7.127 13.254 -35.683 1.00 0.00 O ATOM 1568 CB PHE A 102 9.904 14.594 -35.252 1.00 0.00 C ATOM 1569 CG PHE A 102 11.381 14.345 -35.147 1.00 0.00 C ATOM 1570 CD1 PHE A 102 11.930 13.155 -35.596 1.00 0.00 C ATOM 1571 CD2 PHE A 102 12.221 15.302 -34.599 1.00 0.00 C ATOM 1572 CE1 PHE A 102 13.289 12.923 -35.499 1.00 0.00 C ATOM 1573 CE2 PHE A 102 13.581 15.076 -34.500 1.00 0.00 C ATOM 1574 CZ PHE A 102 14.116 13.885 -34.952 1.00 0.00 C ATOM 0 H PHE A 102 9.208 11.837 -35.292 1.00 0.00 H new ATOM 0 HA PHE A 102 9.201 14.019 -33.304 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.590 14.440 -36.284 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.701 15.637 -35.010 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.289 12.400 -36.027 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.808 16.235 -34.245 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.704 11.990 -35.851 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.225 15.829 -34.070 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.179 13.706 -34.878 1.00 0.00 H new ATOM 1584 N ALA A 103 6.852 14.578 -33.885 1.00 0.00 N ATOM 1585 CA ALA A 103 5.428 14.782 -34.116 1.00 0.00 C ATOM 1586 C ALA A 103 5.190 15.665 -35.336 1.00 0.00 C ATOM 1587 O ALA A 103 4.048 15.937 -35.705 1.00 0.00 O ATOM 1588 CB ALA A 103 4.775 15.392 -32.885 1.00 0.00 C ATOM 0 H ALA A 103 7.219 15.057 -33.062 1.00 0.00 H new ATOM 0 HA ALA A 103 4.974 13.810 -34.310 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.711 15.539 -33.072 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.905 14.722 -32.035 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.240 16.353 -32.665 1.00 0.00 H new ATOM 1594 N ARG A 104 6.277 16.112 -35.958 1.00 0.00 N ATOM 1595 CA ARG A 104 6.186 16.967 -37.135 1.00 0.00 C ATOM 1596 C ARG A 104 7.042 16.418 -38.273 1.00 0.00 C ATOM 1597 O ARG A 104 8.211 16.084 -38.079 1.00 0.00 O ATOM 1598 CB ARG A 104 6.627 18.391 -36.792 1.00 0.00 C ATOM 1599 CG ARG A 104 6.353 18.784 -35.350 1.00 0.00 C ATOM 1600 CD ARG A 104 6.226 20.291 -35.197 1.00 0.00 C ATOM 1601 NE ARG A 104 4.993 20.800 -35.792 1.00 0.00 N ATOM 1602 CZ ARG A 104 3.805 20.720 -35.203 1.00 0.00 C ATOM 1603 NH1 ARG A 104 3.690 20.156 -34.009 1.00 0.00 N ATOM 1604 NH2 ARG A 104 2.729 21.207 -35.809 1.00 0.00 N ATOM 0 H ARG A 104 7.230 15.896 -35.666 1.00 0.00 H new ATOM 0 HA ARG A 104 5.146 16.985 -37.461 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.694 18.489 -36.990 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.115 19.090 -37.453 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.436 18.304 -35.009 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.159 18.419 -34.713 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.252 20.551 -34.139 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.082 20.776 -35.666 1.00 0.00 H new ATOM 0 HE ARG A 104 5.047 21.241 -36.710 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.515 19.782 -33.540 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.777 20.096 -33.559 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.814 21.643 -36.727 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.817 21.145 -35.356 1.00 0.00 H new ATOM 1618 N SER A 105 6.451 16.327 -39.460 1.00 0.00 N ATOM 1619 CA SER A 105 7.158 15.815 -40.628 1.00 0.00 C ATOM 1620 C SER A 105 8.411 16.637 -40.909 1.00 0.00 C ATOM 1621 O SER A 105 9.517 16.102 -40.970 1.00 0.00 O ATOM 1622 CB SER A 105 6.240 15.828 -41.852 1.00 0.00 C ATOM 1623 OG SER A 105 5.982 17.153 -42.282 1.00 0.00 O ATOM 0 H SER A 105 5.485 16.601 -39.638 1.00 0.00 H new ATOM 0 HA SER A 105 7.458 14.788 -40.419 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.701 15.263 -42.662 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.300 15.331 -41.611 1.00 0.00 H new ATOM 0 HG SER A 105 5.395 17.134 -43.066 1.00 0.00 H new ATOM 1629 N GLU A 106 8.229 17.943 -41.080 1.00 0.00 N ATOM 1630 CA GLU A 106 9.344 18.840 -41.356 1.00 0.00 C ATOM 1631 C GLU A 106 10.503 18.579 -40.397 1.00 0.00 C ATOM 1632 O GLU A 106 11.664 18.558 -40.801 1.00 0.00 O ATOM 1633 CB GLU A 106 8.895 20.299 -41.244 1.00 0.00 C ATOM 1634 CG GLU A 106 9.817 21.276 -41.953 1.00 0.00 C ATOM 1635 CD GLU A 106 9.528 22.720 -41.589 1.00 0.00 C ATOM 1636 OE1 GLU A 106 9.736 23.089 -40.414 1.00 0.00 O ATOM 1637 OE2 GLU A 106 9.095 23.480 -42.480 1.00 0.00 O ATOM 0 H GLU A 106 7.320 18.403 -41.032 1.00 0.00 H new ATOM 0 HA GLU A 106 9.686 18.650 -42.373 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.891 20.394 -41.658 1.00 0.00 H new ATOM 0 HB3 GLU A 106 8.832 20.571 -40.190 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.851 21.042 -41.701 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.715 21.149 -43.031 1.00 0.00 H new ATOM 1644 N ASN A 107 10.176 18.381 -39.124 1.00 0.00 N ATOM 1645 CA ASN A 107 11.188 18.122 -38.107 1.00 0.00 C ATOM 1646 C ASN A 107 12.069 16.941 -38.504 1.00 0.00 C ATOM 1647 O ASN A 107 13.289 16.978 -38.336 1.00 0.00 O ATOM 1648 CB ASN A 107 10.525 17.845 -36.756 1.00 0.00 C ATOM 1649 CG ASN A 107 10.319 19.109 -35.943 1.00 0.00 C ATOM 1650 OD1 ASN A 107 10.223 20.206 -36.494 1.00 0.00 O ATOM 1651 ND2 ASN A 107 10.251 18.960 -34.625 1.00 0.00 N ATOM 0 H ASN A 107 9.219 18.395 -38.773 1.00 0.00 H new ATOM 0 HA ASN A 107 11.816 19.009 -38.022 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.562 17.360 -36.919 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.141 17.147 -36.188 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.114 19.774 -34.026 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.336 18.031 -34.212 1.00 0.00 H new ATOM 1658 N LEU A 108 11.444 15.895 -39.033 1.00 0.00 N ATOM 1659 CA LEU A 108 12.171 14.703 -39.455 1.00 0.00 C ATOM 1660 C LEU A 108 13.059 15.005 -40.658 1.00 0.00 C ATOM 1661 O LEU A 108 14.218 14.591 -40.707 1.00 0.00 O ATOM 1662 CB LEU A 108 11.191 13.580 -39.800 1.00 0.00 C ATOM 1663 CG LEU A 108 11.815 12.225 -40.138 1.00 0.00 C ATOM 1664 CD1 LEU A 108 12.942 11.900 -39.171 1.00 0.00 C ATOM 1665 CD2 LEU A 108 10.758 11.131 -40.117 1.00 0.00 C ATOM 0 H LEU A 108 10.436 15.848 -39.180 1.00 0.00 H new ATOM 0 HA LEU A 108 12.806 14.383 -38.629 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.513 13.445 -38.957 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.586 13.901 -40.648 1.00 0.00 H new ATOM 0 HG LEU A 108 12.232 12.279 -41.144 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.374 10.932 -39.427 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.711 12.669 -39.237 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.550 11.865 -38.154 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.220 10.174 -40.360 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.310 11.077 -39.125 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.985 11.358 -40.852 1.00 0.00 H new ATOM 1677 N LYS A 109 12.509 15.730 -41.626 1.00 0.00 N ATOM 1678 CA LYS A 109 13.252 16.091 -42.828 1.00 0.00 C ATOM 1679 C LYS A 109 14.481 16.924 -42.479 1.00 0.00 C ATOM 1680 O LYS A 109 15.545 16.757 -43.076 1.00 0.00 O ATOM 1681 CB LYS A 109 12.353 16.868 -43.793 1.00 0.00 C ATOM 1682 CG LYS A 109 10.906 16.406 -43.782 1.00 0.00 C ATOM 1683 CD LYS A 109 10.803 14.892 -43.863 1.00 0.00 C ATOM 1684 CE LYS A 109 11.050 14.392 -45.278 1.00 0.00 C ATOM 1685 NZ LYS A 109 12.500 14.190 -45.549 1.00 0.00 N ATOM 0 H LYS A 109 11.551 16.079 -41.602 1.00 0.00 H new ATOM 0 HA LYS A 109 13.584 15.171 -43.310 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.389 17.927 -43.537 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.749 16.770 -44.804 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.418 16.757 -42.872 1.00 0.00 H new ATOM 0 HG3 LYS A 109 10.374 16.853 -44.622 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.527 14.440 -43.185 1.00 0.00 H new ATOM 0 HD3 LYS A 109 9.814 14.575 -43.531 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.518 13.453 -45.429 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.643 15.108 -45.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.622 13.403 -46.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.901 15.058 -45.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.992 13.968 -44.660 1.00 0.00 H new ATOM 1699 N ILE A 110 14.328 17.818 -41.509 1.00 0.00 N ATOM 1700 CA ILE A 110 15.426 18.674 -41.079 1.00 0.00 C ATOM 1701 C ILE A 110 16.400 17.913 -40.187 1.00 0.00 C ATOM 1702 O ILE A 110 17.598 18.199 -40.170 1.00 0.00 O ATOM 1703 CB ILE A 110 14.912 19.912 -40.320 1.00 0.00 C ATOM 1704 CG1 ILE A 110 14.176 20.854 -41.275 1.00 0.00 C ATOM 1705 CG2 ILE A 110 16.066 20.633 -39.640 1.00 0.00 C ATOM 1706 CD1 ILE A 110 13.304 21.869 -40.570 1.00 0.00 C ATOM 0 H ILE A 110 13.454 17.969 -41.006 1.00 0.00 H new ATOM 0 HA ILE A 110 15.943 19.000 -41.982 1.00 0.00 H new ATOM 0 HB ILE A 110 14.211 19.584 -39.552 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.907 21.379 -41.889 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.558 20.263 -41.951 1.00 0.00 H new ATOM 0 HG21 ILE A 110 15.687 21.505 -39.108 1.00 0.00 H new ATOM 0 HG22 ILE A 110 16.550 19.959 -38.933 1.00 0.00 H new ATOM 0 HG23 ILE A 110 16.789 20.952 -40.391 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.813 22.503 -41.309 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.550 21.351 -39.977 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.920 22.485 -39.915 1.00 0.00 H new ATOM 1718 N HIS A 111 15.879 16.940 -39.446 1.00 0.00 N ATOM 1719 CA HIS A 111 16.703 16.134 -38.552 1.00 0.00 C ATOM 1720 C HIS A 111 17.480 15.079 -39.333 1.00 0.00 C ATOM 1721 O HIS A 111 18.500 14.570 -38.866 1.00 0.00 O ATOM 1722 CB HIS A 111 15.833 15.461 -37.490 1.00 0.00 C ATOM 1723 CG HIS A 111 16.544 14.386 -36.727 1.00 0.00 C ATOM 1724 ND1 HIS A 111 17.520 14.648 -35.790 1.00 0.00 N ATOM 1725 CD2 HIS A 111 16.413 13.039 -36.766 1.00 0.00 C ATOM 1726 CE1 HIS A 111 17.961 13.509 -35.286 1.00 0.00 C ATOM 1727 NE2 HIS A 111 17.305 12.517 -35.861 1.00 0.00 N ATOM 0 H HIS A 111 14.890 16.691 -39.447 1.00 0.00 H new ATOM 0 HA HIS A 111 17.416 16.796 -38.061 1.00 0.00 H new ATOM 0 HB2 HIS A 111 15.478 16.217 -36.790 1.00 0.00 H new ATOM 0 HB3 HIS A 111 14.953 15.033 -37.971 1.00 0.00 H new ATOM 0 HD2 HIS A 111 15.734 12.479 -37.392 1.00 0.00 H new ATOM 0 HE1 HIS A 111 18.727 13.406 -34.532 1.00 0.00 H new ATOM 0 HE2 HIS A 111 17.439 11.525 -35.665 1.00 0.00 H new ATOM 1735 N LYS A 112 16.991 14.753 -40.525 1.00 0.00 N ATOM 1736 CA LYS A 112 17.639 13.758 -41.372 1.00 0.00 C ATOM 1737 C LYS A 112 18.819 14.368 -42.123 1.00 0.00 C ATOM 1738 O LYS A 112 19.852 13.724 -42.304 1.00 0.00 O ATOM 1739 CB LYS A 112 16.635 13.174 -42.368 1.00 0.00 C ATOM 1740 CG LYS A 112 15.707 12.137 -41.759 1.00 0.00 C ATOM 1741 CD LYS A 112 14.400 12.038 -42.527 1.00 0.00 C ATOM 1742 CE LYS A 112 14.628 11.578 -43.958 1.00 0.00 C ATOM 1743 NZ LYS A 112 14.871 12.725 -44.877 1.00 0.00 N ATOM 0 H LYS A 112 16.148 15.163 -40.926 1.00 0.00 H new ATOM 0 HA LYS A 112 18.012 12.959 -40.731 1.00 0.00 H new ATOM 0 HB2 LYS A 112 16.037 13.984 -42.785 1.00 0.00 H new ATOM 0 HB3 LYS A 112 17.179 12.720 -43.196 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.201 11.165 -41.752 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.501 12.397 -40.721 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.732 11.341 -42.022 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.904 13.009 -42.530 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.481 10.900 -43.990 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.760 11.015 -44.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.263 12.633 -45.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.652 13.615 -44.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.868 12.729 -45.171 1.00 0.00 H new ATOM 1757 N ARG A 113 18.658 15.615 -42.556 1.00 0.00 N ATOM 1758 CA ARG A 113 19.710 16.311 -43.286 1.00 0.00 C ATOM 1759 C ARG A 113 20.915 16.573 -42.387 1.00 0.00 C ATOM 1760 O ARG A 113 22.049 16.656 -42.859 1.00 0.00 O ATOM 1761 CB ARG A 113 19.182 17.633 -43.847 1.00 0.00 C ATOM 1762 CG ARG A 113 18.517 18.515 -42.802 1.00 0.00 C ATOM 1763 CD ARG A 113 17.981 19.799 -43.416 1.00 0.00 C ATOM 1764 NE ARG A 113 19.055 20.685 -43.856 1.00 0.00 N ATOM 1765 CZ ARG A 113 19.652 20.587 -45.039 1.00 0.00 C ATOM 1766 NH1 ARG A 113 19.280 19.647 -45.896 1.00 0.00 N ATOM 1767 NH2 ARG A 113 20.622 21.431 -45.366 1.00 0.00 N ATOM 0 H ARG A 113 17.810 16.163 -42.414 1.00 0.00 H new ATOM 0 HA ARG A 113 20.027 15.674 -44.112 1.00 0.00 H new ATOM 0 HB2 ARG A 113 20.008 18.181 -44.301 1.00 0.00 H new ATOM 0 HB3 ARG A 113 18.466 17.421 -44.641 1.00 0.00 H new ATOM 0 HG2 ARG A 113 17.701 17.968 -42.329 1.00 0.00 H new ATOM 0 HG3 ARG A 113 19.235 18.757 -42.018 1.00 0.00 H new ATOM 0 HD2 ARG A 113 17.341 19.556 -44.264 1.00 0.00 H new ATOM 0 HD3 ARG A 113 17.359 20.318 -42.686 1.00 0.00 H new ATOM 0 HE ARG A 113 19.364 21.420 -43.220 1.00 0.00 H new ATOM 0 HH11 ARG A 113 18.534 18.997 -45.648 1.00 0.00 H new ATOM 0 HH12 ARG A 113 19.740 19.574 -46.804 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.910 22.156 -44.709 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.080 21.355 -46.274 1.00 0.00 H new ATOM 1884 N PHE A 121 29.220 7.867 -33.106 1.00 0.00 N ATOM 1885 CA PHE A 121 30.379 7.672 -32.243 1.00 0.00 C ATOM 1886 C PHE A 121 31.499 8.641 -32.609 1.00 0.00 C ATOM 1887 O PHE A 121 31.945 8.689 -33.755 1.00 0.00 O ATOM 1888 CB PHE A 121 30.882 6.231 -32.347 1.00 0.00 C ATOM 1889 CG PHE A 121 30.018 5.240 -31.621 1.00 0.00 C ATOM 1890 CD1 PHE A 121 28.828 4.801 -32.177 1.00 0.00 C ATOM 1891 CD2 PHE A 121 30.397 4.748 -30.383 1.00 0.00 C ATOM 1892 CE1 PHE A 121 28.030 3.888 -31.512 1.00 0.00 C ATOM 1893 CE2 PHE A 121 29.604 3.835 -29.713 1.00 0.00 C ATOM 1894 CZ PHE A 121 28.419 3.406 -30.277 1.00 0.00 C ATOM 0 HA PHE A 121 30.073 7.870 -31.216 1.00 0.00 H new ATOM 0 HB2 PHE A 121 30.939 5.950 -33.399 1.00 0.00 H new ATOM 0 HB3 PHE A 121 31.895 6.179 -31.948 1.00 0.00 H new ATOM 0 HD1 PHE A 121 28.519 5.176 -33.142 1.00 0.00 H new ATOM 0 HD2 PHE A 121 31.322 5.081 -29.936 1.00 0.00 H new ATOM 0 HE1 PHE A 121 27.105 3.553 -31.957 1.00 0.00 H new ATOM 0 HE2 PHE A 121 29.911 3.458 -28.749 1.00 0.00 H new ATOM 0 HZ PHE A 121 27.797 2.695 -29.754 1.00 0.00 H new ATOM 1904 N LYS A 122 31.949 9.414 -31.626 1.00 0.00 N ATOM 1905 CA LYS A 122 33.017 10.383 -31.841 1.00 0.00 C ATOM 1906 C LYS A 122 34.185 10.125 -30.895 1.00 0.00 C ATOM 1907 O LYS A 122 33.989 9.870 -29.706 1.00 0.00 O ATOM 1908 CB LYS A 122 32.490 11.806 -31.643 1.00 0.00 C ATOM 1909 CG LYS A 122 33.426 12.880 -32.169 1.00 0.00 C ATOM 1910 CD LYS A 122 32.793 13.663 -33.307 1.00 0.00 C ATOM 1911 CE LYS A 122 31.612 14.492 -32.825 1.00 0.00 C ATOM 1912 NZ LYS A 122 30.726 14.901 -33.949 1.00 0.00 N ATOM 0 H LYS A 122 31.590 9.388 -30.672 1.00 0.00 H new ATOM 0 HA LYS A 122 33.372 10.273 -32.866 1.00 0.00 H new ATOM 0 HB2 LYS A 122 31.526 11.900 -32.142 1.00 0.00 H new ATOM 0 HB3 LYS A 122 32.317 11.976 -30.580 1.00 0.00 H new ATOM 0 HG2 LYS A 122 33.690 13.561 -31.360 1.00 0.00 H new ATOM 0 HG3 LYS A 122 34.352 12.420 -32.514 1.00 0.00 H new ATOM 0 HD2 LYS A 122 33.538 14.318 -33.758 1.00 0.00 H new ATOM 0 HD3 LYS A 122 32.462 12.974 -34.084 1.00 0.00 H new ATOM 0 HE2 LYS A 122 31.036 13.917 -32.100 1.00 0.00 H new ATOM 0 HE3 LYS A 122 31.978 15.380 -32.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 29.934 15.464 -33.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 31.268 15.471 -34.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 30.356 14.054 -34.425 1.00 0.00 H new ATOM 1926 N CYS A 123 35.399 10.195 -31.429 1.00 0.00 N ATOM 1927 CA CYS A 123 36.600 9.971 -30.632 1.00 0.00 C ATOM 1928 C CYS A 123 36.466 10.612 -29.254 1.00 0.00 C ATOM 1929 O CYS A 123 36.377 11.833 -29.133 1.00 0.00 O ATOM 1930 CB CYS A 123 37.827 10.533 -31.351 1.00 0.00 C ATOM 1931 SG CYS A 123 39.387 10.324 -30.434 1.00 0.00 S ATOM 0 H CYS A 123 35.578 10.405 -32.411 1.00 0.00 H new ATOM 0 HA CYS A 123 36.724 8.896 -30.502 1.00 0.00 H new ATOM 0 HB2 CYS A 123 37.921 10.046 -32.322 1.00 0.00 H new ATOM 0 HB3 CYS A 123 37.669 11.595 -31.541 1.00 0.00 H new ATOM 0 HG CYS A 123 40.236 11.235 -30.808 1.00 0.00 H new ATOM 1936 N GLU A 124 36.452 9.778 -28.218 1.00 0.00 N ATOM 1937 CA GLU A 124 36.328 10.264 -26.849 1.00 0.00 C ATOM 1938 C GLU A 124 37.544 11.098 -26.456 1.00 0.00 C ATOM 1939 O GLU A 124 37.543 11.770 -25.424 1.00 0.00 O ATOM 1940 CB GLU A 124 36.166 9.091 -25.880 1.00 0.00 C ATOM 1941 CG GLU A 124 37.059 7.905 -26.205 1.00 0.00 C ATOM 1942 CD GLU A 124 37.271 6.991 -25.014 1.00 0.00 C ATOM 1943 OE1 GLU A 124 37.297 7.500 -23.874 1.00 0.00 O ATOM 1944 OE2 GLU A 124 37.411 5.768 -25.222 1.00 0.00 O ATOM 0 H GLU A 124 36.525 8.764 -28.301 1.00 0.00 H new ATOM 0 HA GLU A 124 35.442 10.896 -26.794 1.00 0.00 H new ATOM 0 HB2 GLU A 124 36.385 9.433 -24.869 1.00 0.00 H new ATOM 0 HB3 GLU A 124 35.126 8.765 -25.888 1.00 0.00 H new ATOM 0 HG2 GLU A 124 36.616 7.335 -27.022 1.00 0.00 H new ATOM 0 HG3 GLU A 124 38.025 8.268 -26.556 1.00 0.00 H new ATOM 1951 N PHE A 125 38.581 11.049 -27.285 1.00 0.00 N ATOM 1952 CA PHE A 125 39.805 11.798 -27.025 1.00 0.00 C ATOM 1953 C PHE A 125 39.579 13.294 -27.221 1.00 0.00 C ATOM 1954 O PHE A 125 39.161 13.733 -28.292 1.00 0.00 O ATOM 1955 CB PHE A 125 40.929 11.315 -27.944 1.00 0.00 C ATOM 1956 CG PHE A 125 42.299 11.466 -27.346 1.00 0.00 C ATOM 1957 CD1 PHE A 125 42.803 10.503 -26.487 1.00 0.00 C ATOM 1958 CD2 PHE A 125 43.081 12.570 -27.643 1.00 0.00 C ATOM 1959 CE1 PHE A 125 44.063 10.639 -25.934 1.00 0.00 C ATOM 1960 CE2 PHE A 125 44.342 12.711 -27.094 1.00 0.00 C ATOM 1961 CZ PHE A 125 44.834 11.744 -26.239 1.00 0.00 C ATOM 0 H PHE A 125 38.598 10.498 -28.143 1.00 0.00 H new ATOM 0 HA PHE A 125 40.094 11.625 -25.988 1.00 0.00 H new ATOM 0 HB2 PHE A 125 40.762 10.266 -28.189 1.00 0.00 H new ATOM 0 HB3 PHE A 125 40.887 11.872 -28.880 1.00 0.00 H new ATOM 0 HD1 PHE A 125 42.205 9.636 -26.247 1.00 0.00 H new ATOM 0 HD2 PHE A 125 42.701 13.329 -28.311 1.00 0.00 H new ATOM 0 HE1 PHE A 125 44.444 9.882 -25.264 1.00 0.00 H new ATOM 0 HE2 PHE A 125 44.942 13.577 -27.333 1.00 0.00 H new ATOM 0 HZ PHE A 125 45.819 11.852 -25.810 1.00 0.00 H new ATOM 1971 N GLU A 126 39.859 14.071 -26.179 1.00 0.00 N ATOM 1972 CA GLU A 126 39.685 15.517 -26.237 1.00 0.00 C ATOM 1973 C GLU A 126 40.668 16.144 -27.221 1.00 0.00 C ATOM 1974 O GLU A 126 41.759 15.621 -27.445 1.00 0.00 O ATOM 1975 CB GLU A 126 39.876 16.132 -24.848 1.00 0.00 C ATOM 1976 CG GLU A 126 39.248 17.508 -24.701 1.00 0.00 C ATOM 1977 CD GLU A 126 39.899 18.331 -23.606 1.00 0.00 C ATOM 1978 OE1 GLU A 126 40.472 17.731 -22.673 1.00 0.00 O ATOM 1979 OE2 GLU A 126 39.834 19.576 -23.683 1.00 0.00 O ATOM 0 H GLU A 126 40.207 13.723 -25.286 1.00 0.00 H new ATOM 0 HA GLU A 126 38.671 15.722 -26.582 1.00 0.00 H new ATOM 0 HB2 GLU A 126 39.446 15.464 -24.102 1.00 0.00 H new ATOM 0 HB3 GLU A 126 40.943 16.204 -24.635 1.00 0.00 H new ATOM 0 HG2 GLU A 126 39.327 18.042 -25.648 1.00 0.00 H new ATOM 0 HG3 GLU A 126 38.185 17.397 -24.485 1.00 0.00 H new ATOM 1986 N GLY A 127 40.272 17.270 -27.808 1.00 0.00 N ATOM 1987 CA GLY A 127 41.128 17.950 -28.763 1.00 0.00 C ATOM 1988 C GLY A 127 41.328 17.150 -30.035 1.00 0.00 C ATOM 1989 O GLY A 127 42.189 17.475 -30.853 1.00 0.00 O ATOM 0 H GLY A 127 39.374 17.723 -27.639 1.00 0.00 H new ATOM 0 HA2 GLY A 127 40.693 18.918 -29.011 1.00 0.00 H new ATOM 0 HA3 GLY A 127 42.097 18.144 -28.304 1.00 0.00 H new ATOM 1993 N CYS A 128 40.532 16.100 -30.203 1.00 0.00 N ATOM 1994 CA CYS A 128 40.626 15.249 -31.383 1.00 0.00 C ATOM 1995 C CYS A 128 39.366 15.363 -32.237 1.00 0.00 C ATOM 1996 O CYS A 128 38.273 15.595 -31.721 1.00 0.00 O ATOM 1997 CB CYS A 128 40.846 13.792 -30.971 1.00 0.00 C ATOM 1998 SG CYS A 128 41.747 12.799 -32.204 1.00 0.00 S ATOM 0 H CYS A 128 39.814 15.818 -29.536 1.00 0.00 H new ATOM 0 HA CYS A 128 41.477 15.584 -31.975 1.00 0.00 H new ATOM 0 HB2 CYS A 128 41.396 13.771 -30.030 1.00 0.00 H new ATOM 0 HB3 CYS A 128 39.877 13.328 -30.784 1.00 0.00 H new ATOM 0 HG CYS A 128 43.024 12.873 -31.972 1.00 0.00 H new ATOM 2003 N ASP A 129 39.528 15.196 -33.545 1.00 0.00 N ATOM 2004 CA ASP A 129 38.405 15.279 -34.471 1.00 0.00 C ATOM 2005 C ASP A 129 38.304 14.013 -35.317 1.00 0.00 C ATOM 2006 O ASP A 129 39.138 13.770 -36.190 1.00 0.00 O ATOM 2007 CB ASP A 129 38.552 16.502 -35.377 1.00 0.00 C ATOM 2008 CG ASP A 129 38.571 17.802 -34.596 1.00 0.00 C ATOM 2009 OD1 ASP A 129 37.895 17.874 -33.550 1.00 0.00 O ATOM 2010 OD2 ASP A 129 39.262 18.746 -35.033 1.00 0.00 O ATOM 0 H ASP A 129 40.426 15.002 -33.988 1.00 0.00 H new ATOM 0 HA ASP A 129 37.491 15.378 -33.886 1.00 0.00 H new ATOM 0 HB2 ASP A 129 39.473 16.415 -35.954 1.00 0.00 H new ATOM 0 HB3 ASP A 129 37.729 16.523 -36.091 1.00 0.00 H new ATOM 2015 N ARG A 130 37.279 13.210 -35.052 1.00 0.00 N ATOM 2016 CA ARG A 130 37.071 11.968 -35.787 1.00 0.00 C ATOM 2017 C ARG A 130 35.585 11.639 -35.887 1.00 0.00 C ATOM 2018 O ARG A 130 34.739 12.377 -35.381 1.00 0.00 O ATOM 2019 CB ARG A 130 37.815 10.818 -35.107 1.00 0.00 C ATOM 2020 CG ARG A 130 39.298 11.086 -34.906 1.00 0.00 C ATOM 2021 CD ARG A 130 40.052 11.064 -36.226 1.00 0.00 C ATOM 2022 NE ARG A 130 41.377 11.668 -36.110 1.00 0.00 N ATOM 2023 CZ ARG A 130 42.319 11.558 -37.040 1.00 0.00 C ATOM 2024 NH1 ARG A 130 42.083 10.870 -38.149 1.00 0.00 N ATOM 2025 NH2 ARG A 130 43.500 12.136 -36.861 1.00 0.00 N ATOM 0 H ARG A 130 36.579 13.397 -34.334 1.00 0.00 H new ATOM 0 HA ARG A 130 37.465 12.100 -36.795 1.00 0.00 H new ATOM 0 HB2 ARG A 130 37.355 10.622 -34.138 1.00 0.00 H new ATOM 0 HB3 ARG A 130 37.696 9.915 -35.706 1.00 0.00 H new ATOM 0 HG2 ARG A 130 39.432 12.055 -34.425 1.00 0.00 H new ATOM 0 HG3 ARG A 130 39.716 10.337 -34.234 1.00 0.00 H new ATOM 0 HD2 ARG A 130 40.152 10.034 -36.569 1.00 0.00 H new ATOM 0 HD3 ARG A 130 39.475 11.597 -36.982 1.00 0.00 H new ATOM 0 HE ARG A 130 41.591 12.204 -35.269 1.00 0.00 H new ATOM 0 HH11 ARG A 130 41.177 10.424 -38.289 1.00 0.00 H new ATOM 0 HH12 ARG A 130 42.808 10.787 -38.862 1.00 0.00 H new ATOM 0 HH21 ARG A 130 43.685 12.665 -36.009 1.00 0.00 H new ATOM 0 HH22 ARG A 130 44.223 12.051 -37.576 1.00 0.00 H new ATOM 2039 N ARG A 131 35.274 10.526 -36.544 1.00 0.00 N ATOM 2040 CA ARG A 131 33.890 10.099 -36.712 1.00 0.00 C ATOM 2041 C ARG A 131 33.809 8.592 -36.937 1.00 0.00 C ATOM 2042 O ARG A 131 34.495 8.045 -37.800 1.00 0.00 O ATOM 2043 CB ARG A 131 33.246 10.836 -37.887 1.00 0.00 C ATOM 2044 CG ARG A 131 34.240 11.273 -38.951 1.00 0.00 C ATOM 2045 CD ARG A 131 34.708 12.702 -38.722 1.00 0.00 C ATOM 2046 NE ARG A 131 35.055 13.371 -39.973 1.00 0.00 N ATOM 2047 CZ ARG A 131 36.096 13.029 -40.725 1.00 0.00 C ATOM 2048 NH1 ARG A 131 36.886 12.031 -40.354 1.00 0.00 N ATOM 2049 NH2 ARG A 131 36.347 13.686 -41.850 1.00 0.00 N ATOM 0 H ARG A 131 35.962 9.904 -36.969 1.00 0.00 H new ATOM 0 HA ARG A 131 33.348 10.342 -35.798 1.00 0.00 H new ATOM 0 HB2 ARG A 131 32.498 10.189 -38.345 1.00 0.00 H new ATOM 0 HB3 ARG A 131 32.721 11.714 -37.510 1.00 0.00 H new ATOM 0 HG2 ARG A 131 35.099 10.602 -38.945 1.00 0.00 H new ATOM 0 HG3 ARG A 131 33.779 11.193 -39.936 1.00 0.00 H new ATOM 0 HD2 ARG A 131 33.923 13.264 -38.216 1.00 0.00 H new ATOM 0 HD3 ARG A 131 35.574 12.698 -38.060 1.00 0.00 H new ATOM 0 HE ARG A 131 34.466 14.143 -40.287 1.00 0.00 H new ATOM 0 HH11 ARG A 131 36.695 11.524 -39.490 1.00 0.00 H new ATOM 0 HH12 ARG A 131 37.684 11.770 -40.933 1.00 0.00 H new ATOM 0 HH21 ARG A 131 35.741 14.454 -42.138 1.00 0.00 H new ATOM 0 HH22 ARG A 131 37.146 13.423 -42.427 1.00 0.00 H new ATOM 2063 N PHE A 132 32.967 7.926 -36.153 1.00 0.00 N ATOM 2064 CA PHE A 132 32.797 6.482 -36.265 1.00 0.00 C ATOM 2065 C PHE A 132 31.328 6.095 -36.131 1.00 0.00 C ATOM 2066 O PHE A 132 30.540 6.812 -35.514 1.00 0.00 O ATOM 2067 CB PHE A 132 33.626 5.766 -35.197 1.00 0.00 C ATOM 2068 CG PHE A 132 35.049 6.240 -35.124 1.00 0.00 C ATOM 2069 CD1 PHE A 132 35.958 5.900 -36.113 1.00 0.00 C ATOM 2070 CD2 PHE A 132 35.478 7.025 -34.066 1.00 0.00 C ATOM 2071 CE1 PHE A 132 37.268 6.334 -36.047 1.00 0.00 C ATOM 2072 CE2 PHE A 132 36.787 7.463 -33.995 1.00 0.00 C ATOM 2073 CZ PHE A 132 37.683 7.117 -34.988 1.00 0.00 C ATOM 0 H PHE A 132 32.392 8.364 -35.433 1.00 0.00 H new ATOM 0 HA PHE A 132 33.145 6.175 -37.251 1.00 0.00 H new ATOM 0 HB2 PHE A 132 33.154 5.910 -34.225 1.00 0.00 H new ATOM 0 HB3 PHE A 132 33.618 4.695 -35.400 1.00 0.00 H new ATOM 0 HD1 PHE A 132 35.639 5.289 -36.945 1.00 0.00 H new ATOM 0 HD2 PHE A 132 34.781 7.298 -33.287 1.00 0.00 H new ATOM 0 HE1 PHE A 132 37.967 6.061 -36.823 1.00 0.00 H new ATOM 0 HE2 PHE A 132 37.109 8.074 -33.165 1.00 0.00 H new ATOM 0 HZ PHE A 132 38.706 7.458 -34.936 1.00 0.00 H new ATOM 2083 N ALA A 133 30.966 4.956 -36.712 1.00 0.00 N ATOM 2084 CA ALA A 133 29.592 4.472 -36.656 1.00 0.00 C ATOM 2085 C ALA A 133 29.462 3.300 -35.690 1.00 0.00 C ATOM 2086 O ALA A 133 28.356 2.889 -35.344 1.00 0.00 O ATOM 2087 CB ALA A 133 29.118 4.069 -38.045 1.00 0.00 C ATOM 0 H ALA A 133 31.605 4.351 -37.227 1.00 0.00 H new ATOM 0 HA ALA A 133 28.962 5.282 -36.290 1.00 0.00 H new ATOM 0 HB1 ALA A 133 28.091 3.709 -37.989 1.00 0.00 H new ATOM 0 HB2 ALA A 133 29.165 4.931 -38.710 1.00 0.00 H new ATOM 0 HB3 ALA A 133 29.759 3.277 -38.433 1.00 0.00 H new ATOM 2093 N ASN A 134 30.600 2.766 -35.257 1.00 0.00 N ATOM 2094 CA ASN A 134 30.612 1.640 -34.331 1.00 0.00 C ATOM 2095 C ASN A 134 31.707 1.810 -33.283 1.00 0.00 C ATOM 2096 O ASN A 134 32.853 2.118 -33.611 1.00 0.00 O ATOM 2097 CB ASN A 134 30.819 0.329 -35.093 1.00 0.00 C ATOM 2098 CG ASN A 134 31.955 0.415 -36.094 1.00 0.00 C ATOM 2099 OD1 ASN A 134 32.936 -0.323 -36.002 1.00 0.00 O ATOM 2100 ND2 ASN A 134 31.825 1.319 -37.058 1.00 0.00 N ATOM 0 H ASN A 134 31.525 3.095 -35.533 1.00 0.00 H new ATOM 0 HA ASN A 134 29.648 1.609 -33.822 1.00 0.00 H new ATOM 0 HB2 ASN A 134 31.024 -0.472 -34.383 1.00 0.00 H new ATOM 0 HB3 ASN A 134 29.899 0.066 -35.614 1.00 0.00 H new ATOM 0 HD21 ASN A 134 32.556 1.423 -37.762 1.00 0.00 H new ATOM 0 HD22 ASN A 134 30.994 1.909 -37.095 1.00 0.00 H new ATOM 2107 N SER A 135 31.346 1.606 -32.020 1.00 0.00 N ATOM 2108 CA SER A 135 32.297 1.740 -30.922 1.00 0.00 C ATOM 2109 C SER A 135 33.602 1.017 -31.242 1.00 0.00 C ATOM 2110 O SER A 135 34.688 1.509 -30.935 1.00 0.00 O ATOM 2111 CB SER A 135 31.697 1.185 -29.629 1.00 0.00 C ATOM 2112 OG SER A 135 32.242 1.834 -28.493 1.00 0.00 O ATOM 0 H SER A 135 30.402 1.347 -31.732 1.00 0.00 H new ATOM 0 HA SER A 135 32.513 2.800 -30.788 1.00 0.00 H new ATOM 0 HB2 SER A 135 30.615 1.315 -29.642 1.00 0.00 H new ATOM 0 HB3 SER A 135 31.888 0.114 -29.566 1.00 0.00 H new ATOM 0 HG SER A 135 31.841 1.462 -27.680 1.00 0.00 H new ATOM 2118 N SER A 136 33.486 -0.154 -31.860 1.00 0.00 N ATOM 2119 CA SER A 136 34.655 -0.948 -32.219 1.00 0.00 C ATOM 2120 C SER A 136 35.667 -0.107 -32.992 1.00 0.00 C ATOM 2121 O SER A 136 36.838 -0.029 -32.621 1.00 0.00 O ATOM 2122 CB SER A 136 34.238 -2.159 -33.055 1.00 0.00 C ATOM 2123 OG SER A 136 34.214 -1.843 -34.436 1.00 0.00 O ATOM 0 H SER A 136 32.594 -0.574 -32.122 1.00 0.00 H new ATOM 0 HA SER A 136 35.124 -1.295 -31.298 1.00 0.00 H new ATOM 0 HB2 SER A 136 34.931 -2.982 -32.879 1.00 0.00 H new ATOM 0 HB3 SER A 136 33.252 -2.500 -32.740 1.00 0.00 H new ATOM 0 HG SER A 136 33.444 -1.267 -34.626 1.00 0.00 H new ATOM 2129 N ASP A 137 35.205 0.521 -34.068 1.00 0.00 N ATOM 2130 CA ASP A 137 36.068 1.358 -34.893 1.00 0.00 C ATOM 2131 C ASP A 137 36.684 2.484 -34.068 1.00 0.00 C ATOM 2132 O ASP A 137 37.846 2.844 -34.262 1.00 0.00 O ATOM 2133 CB ASP A 137 35.278 1.942 -36.066 1.00 0.00 C ATOM 2134 CG ASP A 137 36.157 2.239 -37.265 1.00 0.00 C ATOM 2135 OD1 ASP A 137 37.269 2.772 -37.069 1.00 0.00 O ATOM 2136 OD2 ASP A 137 35.732 1.937 -38.400 1.00 0.00 O ATOM 0 H ASP A 137 34.238 0.466 -34.389 1.00 0.00 H new ATOM 0 HA ASP A 137 36.873 0.734 -35.281 1.00 0.00 H new ATOM 0 HB2 ASP A 137 34.495 1.242 -36.358 1.00 0.00 H new ATOM 0 HB3 ASP A 137 34.783 2.859 -35.746 1.00 0.00 H new ATOM 2141 N ARG A 138 35.899 3.035 -33.149 1.00 0.00 N ATOM 2142 CA ARG A 138 36.366 4.121 -32.296 1.00 0.00 C ATOM 2143 C ARG A 138 37.561 3.678 -31.457 1.00 0.00 C ATOM 2144 O ARG A 138 38.582 4.362 -31.400 1.00 0.00 O ATOM 2145 CB ARG A 138 35.238 4.603 -31.383 1.00 0.00 C ATOM 2146 CG ARG A 138 35.725 5.168 -30.059 1.00 0.00 C ATOM 2147 CD ARG A 138 34.719 6.140 -29.463 1.00 0.00 C ATOM 2148 NE ARG A 138 33.668 5.452 -28.718 1.00 0.00 N ATOM 2149 CZ ARG A 138 32.672 6.079 -28.103 1.00 0.00 C ATOM 2150 NH1 ARG A 138 32.591 7.402 -28.144 1.00 0.00 N ATOM 2151 NH2 ARG A 138 31.754 5.383 -27.445 1.00 0.00 N ATOM 0 H ARG A 138 34.936 2.747 -32.976 1.00 0.00 H new ATOM 0 HA ARG A 138 36.680 4.944 -32.938 1.00 0.00 H new ATOM 0 HB2 ARG A 138 34.662 5.367 -31.904 1.00 0.00 H new ATOM 0 HB3 ARG A 138 34.561 3.772 -31.186 1.00 0.00 H new ATOM 0 HG2 ARG A 138 35.904 4.353 -29.358 1.00 0.00 H new ATOM 0 HG3 ARG A 138 36.678 5.675 -30.207 1.00 0.00 H new ATOM 0 HD2 ARG A 138 35.235 6.836 -28.802 1.00 0.00 H new ATOM 0 HD3 ARG A 138 34.270 6.731 -30.261 1.00 0.00 H new ATOM 0 HE ARG A 138 33.701 4.434 -28.667 1.00 0.00 H new ATOM 0 HH11 ARG A 138 33.295 7.941 -28.649 1.00 0.00 H new ATOM 0 HH12 ARG A 138 31.825 7.881 -27.671 1.00 0.00 H new ATOM 0 HH21 ARG A 138 31.813 4.365 -27.411 1.00 0.00 H new ATOM 0 HH22 ARG A 138 30.989 5.866 -26.973 1.00 0.00 H new ATOM 2165 N LYS A 139 37.425 2.528 -30.805 1.00 0.00 N ATOM 2166 CA LYS A 139 38.492 1.991 -29.969 1.00 0.00 C ATOM 2167 C LYS A 139 39.729 1.674 -30.802 1.00 0.00 C ATOM 2168 O LYS A 139 40.842 1.609 -30.279 1.00 0.00 O ATOM 2169 CB LYS A 139 38.015 0.729 -29.246 1.00 0.00 C ATOM 2170 CG LYS A 139 37.359 1.008 -27.904 1.00 0.00 C ATOM 2171 CD LYS A 139 35.878 1.311 -28.059 1.00 0.00 C ATOM 2172 CE LYS A 139 35.372 2.206 -26.938 1.00 0.00 C ATOM 2173 NZ LYS A 139 35.878 1.769 -25.608 1.00 0.00 N ATOM 0 H LYS A 139 36.586 1.950 -30.840 1.00 0.00 H new ATOM 0 HA LYS A 139 38.757 2.748 -29.231 1.00 0.00 H new ATOM 0 HB2 LYS A 139 37.307 0.200 -29.884 1.00 0.00 H new ATOM 0 HB3 LYS A 139 38.865 0.064 -29.094 1.00 0.00 H new ATOM 0 HG2 LYS A 139 37.488 0.147 -27.249 1.00 0.00 H new ATOM 0 HG3 LYS A 139 37.855 1.851 -27.424 1.00 0.00 H new ATOM 0 HD2 LYS A 139 35.703 1.795 -29.020 1.00 0.00 H new ATOM 0 HD3 LYS A 139 35.313 0.379 -28.065 1.00 0.00 H new ATOM 0 HE2 LYS A 139 35.683 3.234 -27.125 1.00 0.00 H new ATOM 0 HE3 LYS A 139 34.282 2.199 -26.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 35.313 2.216 -24.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 35.801 0.735 -25.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 36.874 2.050 -25.506 1.00 0.00 H new ATOM 2187 N LYS A 140 39.529 1.480 -32.101 1.00 0.00 N ATOM 2188 CA LYS A 140 40.629 1.173 -33.008 1.00 0.00 C ATOM 2189 C LYS A 140 41.436 2.427 -33.328 1.00 0.00 C ATOM 2190 O LYS A 140 42.590 2.344 -33.750 1.00 0.00 O ATOM 2191 CB LYS A 140 40.093 0.555 -34.301 1.00 0.00 C ATOM 2192 CG LYS A 140 39.916 -0.952 -34.228 1.00 0.00 C ATOM 2193 CD LYS A 140 39.027 -1.464 -35.348 1.00 0.00 C ATOM 2194 CE LYS A 140 39.014 -2.984 -35.399 1.00 0.00 C ATOM 2195 NZ LYS A 140 38.318 -3.493 -36.613 1.00 0.00 N ATOM 0 H LYS A 140 38.614 1.530 -32.550 1.00 0.00 H new ATOM 0 HA LYS A 140 41.285 0.456 -32.514 1.00 0.00 H new ATOM 0 HB2 LYS A 140 39.134 1.014 -34.543 1.00 0.00 H new ATOM 0 HB3 LYS A 140 40.775 0.793 -35.117 1.00 0.00 H new ATOM 0 HG2 LYS A 140 40.891 -1.437 -34.285 1.00 0.00 H new ATOM 0 HG3 LYS A 140 39.482 -1.222 -33.265 1.00 0.00 H new ATOM 0 HD2 LYS A 140 38.011 -1.095 -35.205 1.00 0.00 H new ATOM 0 HD3 LYS A 140 39.378 -1.070 -36.302 1.00 0.00 H new ATOM 0 HE2 LYS A 140 40.038 -3.356 -35.385 1.00 0.00 H new ATOM 0 HE3 LYS A 140 38.521 -3.373 -34.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 38.331 -4.533 -36.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 37.333 -3.159 -36.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 38.803 -3.143 -37.464 1.00 0.00 H new ATOM 2209 N HIS A 141 40.823 3.589 -33.123 1.00 0.00 N ATOM 2210 CA HIS A 141 41.486 4.861 -33.387 1.00 0.00 C ATOM 2211 C HIS A 141 42.326 5.295 -32.190 1.00 0.00 C ATOM 2212 O HIS A 141 42.997 6.326 -32.232 1.00 0.00 O ATOM 2213 CB HIS A 141 40.454 5.939 -33.719 1.00 0.00 C ATOM 2214 CG HIS A 141 40.982 7.334 -33.587 1.00 0.00 C ATOM 2215 ND1 HIS A 141 41.785 7.928 -34.537 1.00 0.00 N ATOM 2216 CD2 HIS A 141 40.816 8.255 -32.608 1.00 0.00 C ATOM 2217 CE1 HIS A 141 42.092 9.153 -34.148 1.00 0.00 C ATOM 2218 NE2 HIS A 141 41.515 9.376 -32.981 1.00 0.00 N ATOM 0 H HIS A 141 39.868 3.676 -32.775 1.00 0.00 H new ATOM 0 HA HIS A 141 42.148 4.727 -34.243 1.00 0.00 H new ATOM 0 HB2 HIS A 141 40.099 5.789 -34.738 1.00 0.00 H new ATOM 0 HB3 HIS A 141 39.593 5.821 -33.061 1.00 0.00 H new ATOM 0 HD1 HIS A 141 42.094 7.490 -35.405 1.00 0.00 H new ATOM 0 HD2 HIS A 141 40.241 8.131 -31.702 1.00 0.00 H new ATOM 0 HE1 HIS A 141 42.710 9.853 -34.692 1.00 0.00 H new ATOM 2226 N MET A 142 42.283 4.502 -31.124 1.00 0.00 N ATOM 2227 CA MET A 142 43.041 4.805 -29.916 1.00 0.00 C ATOM 2228 C MET A 142 44.447 4.219 -29.995 1.00 0.00 C ATOM 2229 O MET A 142 45.356 4.665 -29.294 1.00 0.00 O ATOM 2230 CB MET A 142 42.317 4.258 -28.684 1.00 0.00 C ATOM 2231 CG MET A 142 40.809 4.438 -28.736 1.00 0.00 C ATOM 2232 SD MET A 142 40.270 5.998 -28.008 1.00 0.00 S ATOM 2233 CE MET A 142 40.243 7.054 -29.455 1.00 0.00 C ATOM 0 H MET A 142 41.732 3.645 -31.073 1.00 0.00 H new ATOM 0 HA MET A 142 43.122 5.889 -29.830 1.00 0.00 H new ATOM 0 HB2 MET A 142 42.545 3.197 -28.580 1.00 0.00 H new ATOM 0 HB3 MET A 142 42.704 4.756 -27.795 1.00 0.00 H new ATOM 0 HG2 MET A 142 40.477 4.392 -29.773 1.00 0.00 H new ATOM 0 HG3 MET A 142 40.330 3.612 -28.211 1.00 0.00 H new ATOM 0 HE1 MET A 142 40.580 8.054 -29.182 1.00 0.00 H new ATOM 0 HE2 MET A 142 40.905 6.644 -30.217 1.00 0.00 H new ATOM 0 HE3 MET A 142 39.227 7.108 -29.847 1.00 0.00 H new ATOM 2243 N HIS A 143 44.620 3.218 -30.853 1.00 0.00 N ATOM 2244 CA HIS A 143 45.916 2.572 -31.023 1.00 0.00 C ATOM 2245 C HIS A 143 46.989 3.594 -31.388 1.00 0.00 C ATOM 2246 O HIS A 143 48.181 3.351 -31.202 1.00 0.00 O ATOM 2247 CB HIS A 143 45.834 1.494 -32.104 1.00 0.00 C ATOM 2248 CG HIS A 143 45.761 2.044 -33.495 1.00 0.00 C ATOM 2249 ND1 HIS A 143 46.602 3.034 -33.958 1.00 0.00 N ATOM 2250 CD2 HIS A 143 44.942 1.736 -34.528 1.00 0.00 C ATOM 2251 CE1 HIS A 143 46.302 3.313 -35.214 1.00 0.00 C ATOM 2252 NE2 HIS A 143 45.298 2.538 -35.584 1.00 0.00 N ATOM 0 H HIS A 143 43.879 2.837 -31.441 1.00 0.00 H new ATOM 0 HA HIS A 143 46.189 2.107 -30.076 1.00 0.00 H new ATOM 0 HB2 HIS A 143 46.706 0.844 -32.024 1.00 0.00 H new ATOM 0 HB3 HIS A 143 44.957 0.874 -31.921 1.00 0.00 H new ATOM 0 HD2 HIS A 143 44.155 0.997 -34.522 1.00 0.00 H new ATOM 0 HE1 HIS A 143 46.794 4.049 -35.833 1.00 0.00 H new ATOM 0 HE2 HIS A 143 44.859 2.536 -36.505 1.00 0.00 H new ATOM 2260 N VAL A 144 46.556 4.738 -31.910 1.00 0.00 N ATOM 2261 CA VAL A 144 47.479 5.797 -32.300 1.00 0.00 C ATOM 2262 C VAL A 144 47.573 6.870 -31.221 1.00 0.00 C ATOM 2263 O VAL A 144 48.501 7.679 -31.215 1.00 0.00 O ATOM 2264 CB VAL A 144 47.051 6.454 -33.626 1.00 0.00 C ATOM 2265 CG1 VAL A 144 45.550 6.313 -33.831 1.00 0.00 C ATOM 2266 CG2 VAL A 144 47.466 7.917 -33.653 1.00 0.00 C ATOM 0 H VAL A 144 45.573 4.954 -32.072 1.00 0.00 H new ATOM 0 HA VAL A 144 48.456 5.332 -32.432 1.00 0.00 H new ATOM 0 HB VAL A 144 47.555 5.942 -34.445 1.00 0.00 H new ATOM 0 HG11 VAL A 144 45.266 6.783 -34.773 1.00 0.00 H new ATOM 0 HG12 VAL A 144 45.284 5.256 -33.858 1.00 0.00 H new ATOM 0 HG13 VAL A 144 45.023 6.799 -33.010 1.00 0.00 H new ATOM 0 HG21 VAL A 144 47.156 8.366 -34.597 1.00 0.00 H new ATOM 0 HG22 VAL A 144 46.991 8.445 -32.826 1.00 0.00 H new ATOM 0 HG23 VAL A 144 48.549 7.990 -33.555 1.00 0.00 H new ATOM 2276 N HIS A 145 46.607 6.870 -30.309 1.00 0.00 N ATOM 2277 CA HIS A 145 46.581 7.843 -29.223 1.00 0.00 C ATOM 2278 C HIS A 145 47.603 7.485 -28.148 1.00 0.00 C ATOM 2279 O HIS A 145 48.002 8.333 -27.348 1.00 0.00 O ATOM 2280 CB HIS A 145 45.183 7.917 -28.609 1.00 0.00 C ATOM 2281 CG HIS A 145 44.297 8.937 -29.255 1.00 0.00 C ATOM 2282 ND1 HIS A 145 44.622 10.275 -29.331 1.00 0.00 N ATOM 2283 CD2 HIS A 145 43.093 8.809 -29.859 1.00 0.00 C ATOM 2284 CE1 HIS A 145 43.655 10.926 -29.953 1.00 0.00 C ATOM 2285 NE2 HIS A 145 42.715 10.059 -30.284 1.00 0.00 N ATOM 0 H HIS A 145 45.832 6.207 -30.300 1.00 0.00 H new ATOM 0 HA HIS A 145 46.840 8.818 -29.636 1.00 0.00 H new ATOM 0 HB2 HIS A 145 44.710 6.938 -28.684 1.00 0.00 H new ATOM 0 HB3 HIS A 145 45.273 8.147 -27.547 1.00 0.00 H new ATOM 0 HD2 HIS A 145 42.533 7.894 -29.984 1.00 0.00 H new ATOM 0 HE1 HIS A 145 43.636 11.987 -30.156 1.00 0.00 H new ATOM 0 HE2 HIS A 145 41.849 10.282 -30.775 1.00 0.00 H new