USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 1065 hydrogens (21 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: D 22 SER OG : rot -166:sc= 0.437 USER MOD Set 1.2: D 23 SER OG : rot 180:sc= 0 USER MOD Set 2.1: C 22 SER OG : rot -171:sc= 0.619 USER MOD Set 2.2: C 23 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 22 SER OG : rot -169:sc= 0.31 USER MOD Set 3.2: B 23 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 22 SER OG : rot -172:sc= 0.606 USER MOD Set 4.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -31:sc= 0.0629 USER MOD Single : A 20 ASN : amide:sc= -0.0678 K(o=-0.068,f=-1.9!) USER MOD Single : A 31 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.4!) USER MOD Single : A 37 HIS : no HD1:sc= -9.69! C(o=-9.7!,f=-11!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot -35:sc= 0.0685 USER MOD Single : B 20 ASN : amide:sc= -0.0406 K(o=-0.041,f=-2!) USER MOD Single : B 31 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.8!) USER MOD Single : B 37 HIS : no HD1:sc= -9.6! C(o=-9.6!,f=-11!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 SER OG : rot -26:sc= 0.057 USER MOD Single : C 20 ASN : amide:sc= -0.0832 K(o=-0.083,f=-2!) USER MOD Single : C 31 ASN : amide:sc= -19.4! C(o=-19!,f=-23!) USER MOD Single : C 37 HIS : no HD1:sc= -9.82! C(o=-9.8!,f=-11!) USER MOD Single : C 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 19 SER OG : rot -39:sc= 0.0569 USER MOD Single : D 20 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.9!) USER MOD Single : D 31 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.8!) USER MOD Single : D 37 HIS : no HD1:sc= -9.53! C(o=-9.5!,f=-11!) USER MOD Single : D 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 -11.150 23.353 -5.449 1.00 0.00 N ATOM 2 CA SER A 19 -10.691 22.447 -4.360 1.00 0.00 C ATOM 3 C SER A 19 -9.482 23.062 -3.664 1.00 0.00 C ATOM 4 O SER A 19 -9.081 24.185 -3.974 1.00 0.00 O ATOM 5 CB SER A 19 -10.315 21.090 -4.956 1.00 0.00 C ATOM 6 OG SER A 19 -9.228 21.257 -5.855 1.00 0.00 O ATOM 0 HA SER A 19 -11.491 22.311 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.042 20.394 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.170 20.659 -5.477 1.00 0.00 H new ATOM 0 HG SER A 19 -9.274 22.147 -6.263 1.00 0.00 H new ATOM 14 N ASN A 20 -8.903 22.320 -2.724 1.00 0.00 N ATOM 15 CA ASN A 20 -7.737 22.800 -1.987 1.00 0.00 C ATOM 16 C ASN A 20 -6.455 22.479 -2.746 1.00 0.00 C ATOM 17 O ASN A 20 -6.023 21.328 -2.799 1.00 0.00 O ATOM 18 CB ASN A 20 -7.690 22.148 -0.604 1.00 0.00 C ATOM 19 CG ASN A 20 -8.791 22.723 0.281 1.00 0.00 C ATOM 20 OD1 ASN A 20 -9.313 23.802 0.000 1.00 0.00 O ATOM 21 ND2 ASN A 20 -9.177 22.065 1.339 1.00 0.00 N ATOM 0 H ASN A 20 -9.220 21.388 -2.455 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.819 23.881 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.813 21.069 -0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.716 22.319 -0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.913 22.444 1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.743 21.171 1.570 1.00 0.00 H new ATOM 28 N ASP A 21 -5.850 23.506 -3.331 1.00 0.00 N ATOM 29 CA ASP A 21 -4.613 23.328 -4.086 1.00 0.00 C ATOM 30 C ASP A 21 -3.491 22.849 -3.170 1.00 0.00 C ATOM 31 O ASP A 21 -2.646 22.050 -3.572 1.00 0.00 O ATOM 32 CB ASP A 21 -4.209 24.650 -4.744 1.00 0.00 C ATOM 33 CG ASP A 21 -2.934 24.461 -5.559 1.00 0.00 C ATOM 34 OD1 ASP A 21 -2.372 23.380 -5.502 1.00 0.00 O ATOM 35 OD2 ASP A 21 -2.540 25.399 -6.231 1.00 0.00 O ATOM 0 H ASP A 21 -6.193 24.466 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.783 22.576 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.013 25.005 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.052 25.412 -3.981 1.00 0.00 H new ATOM 40 N SER A 22 -3.491 23.346 -1.937 1.00 0.00 N ATOM 41 CA SER A 22 -2.466 22.966 -0.971 1.00 0.00 C ATOM 42 C SER A 22 -2.477 21.459 -0.735 1.00 0.00 C ATOM 43 O SER A 22 -1.425 20.820 -0.693 1.00 0.00 O ATOM 44 CB SER A 22 -2.706 23.693 0.352 1.00 0.00 C ATOM 45 OG SER A 22 -1.927 23.081 1.373 1.00 0.00 O ATOM 0 H SER A 22 -4.183 24.007 -1.585 1.00 0.00 H new ATOM 0 HA SER A 22 -1.493 23.249 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.438 24.745 0.256 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.763 23.656 0.614 1.00 0.00 H new ATOM 0 HG SER A 22 -2.170 23.462 2.243 1.00 0.00 H new ATOM 51 N SER A 23 -3.674 20.894 -0.587 1.00 0.00 N ATOM 52 CA SER A 23 -3.820 19.457 -0.361 1.00 0.00 C ATOM 53 C SER A 23 -5.060 18.938 -1.079 1.00 0.00 C ATOM 54 O SER A 23 -6.178 19.371 -0.799 1.00 0.00 O ATOM 55 CB SER A 23 -3.936 19.174 1.137 1.00 0.00 C ATOM 56 OG SER A 23 -2.749 19.606 1.789 1.00 0.00 O ATOM 0 H SER A 23 -4.555 21.408 -0.619 1.00 0.00 H new ATOM 0 HA SER A 23 -2.941 18.948 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.801 19.692 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.091 18.109 1.307 1.00 0.00 H new ATOM 0 HG SER A 23 -2.820 19.428 2.750 1.00 0.00 H new ATOM 62 N ASP A 24 -4.854 18.009 -2.007 1.00 0.00 N ATOM 63 CA ASP A 24 -5.962 17.436 -2.766 1.00 0.00 C ATOM 64 C ASP A 24 -6.662 16.342 -1.948 1.00 0.00 C ATOM 65 O ASP A 24 -6.031 15.687 -1.118 1.00 0.00 O ATOM 66 CB ASP A 24 -5.436 16.843 -4.085 1.00 0.00 C ATOM 67 CG ASP A 24 -5.257 17.944 -5.130 1.00 0.00 C ATOM 68 OD1 ASP A 24 -4.914 19.049 -4.745 1.00 0.00 O ATOM 69 OD2 ASP A 24 -5.468 17.664 -6.298 1.00 0.00 O ATOM 0 H ASP A 24 -3.936 17.638 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.682 18.224 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.485 16.340 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.132 16.090 -4.456 1.00 0.00 H new ATOM 74 N PRO A 25 -7.941 16.131 -2.164 1.00 0.00 N ATOM 75 CA PRO A 25 -8.719 15.089 -1.424 1.00 0.00 C ATOM 76 C PRO A 25 -8.248 13.670 -1.763 1.00 0.00 C ATOM 77 O PRO A 25 -8.484 12.731 -1.003 1.00 0.00 O ATOM 78 CB PRO A 25 -10.174 15.323 -1.877 1.00 0.00 C ATOM 79 CG PRO A 25 -10.064 16.018 -3.198 1.00 0.00 C ATOM 80 CD PRO A 25 -8.788 16.856 -3.129 1.00 0.00 C ATOM 0 HA PRO A 25 -8.594 15.172 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.714 14.381 -1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.719 15.932 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.014 15.298 -4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.935 16.648 -3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.307 16.933 -4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.995 17.873 -2.795 1.00 0.00 H new ATOM 88 N LEU A 26 -7.587 13.525 -2.907 1.00 0.00 N ATOM 89 CA LEU A 26 -7.095 12.219 -3.335 1.00 0.00 C ATOM 90 C LEU A 26 -6.066 11.684 -2.341 1.00 0.00 C ATOM 91 O LEU A 26 -6.067 10.500 -2.009 1.00 0.00 O ATOM 92 CB LEU A 26 -6.461 12.333 -4.733 1.00 0.00 C ATOM 93 CG LEU A 26 -7.558 12.315 -5.803 1.00 0.00 C ATOM 94 CD1 LEU A 26 -8.532 13.468 -5.558 1.00 0.00 C ATOM 95 CD2 LEU A 26 -6.919 12.474 -7.187 1.00 0.00 C ATOM 0 H LEU A 26 -7.380 14.289 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.935 11.525 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.884 13.255 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.767 11.508 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.097 11.369 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.312 13.454 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.985 13.358 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.994 14.415 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.697 12.462 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.381 13.421 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.224 11.653 -7.363 1.00 0.00 H new ATOM 107 N VAL A 27 -5.186 12.564 -1.872 1.00 0.00 N ATOM 108 CA VAL A 27 -4.155 12.166 -0.921 1.00 0.00 C ATOM 109 C VAL A 27 -4.788 11.680 0.379 1.00 0.00 C ATOM 110 O VAL A 27 -4.387 10.654 0.932 1.00 0.00 O ATOM 111 CB VAL A 27 -3.224 13.347 -0.634 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.221 12.962 0.457 1.00 0.00 C ATOM 113 CG2 VAL A 27 -2.467 13.720 -1.911 1.00 0.00 C ATOM 0 H VAL A 27 -5.166 13.550 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.577 11.350 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.815 14.198 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.560 13.805 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.758 12.697 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.630 12.110 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.804 14.561 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.879 12.866 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.179 13.999 -2.688 1.00 0.00 H new ATOM 123 N VAL A 28 -5.779 12.422 0.862 1.00 0.00 N ATOM 124 CA VAL A 28 -6.460 12.058 2.099 1.00 0.00 C ATOM 125 C VAL A 28 -7.153 10.707 1.949 1.00 0.00 C ATOM 126 O VAL A 28 -7.072 9.856 2.835 1.00 0.00 O ATOM 127 CB VAL A 28 -7.492 13.130 2.460 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.299 12.680 3.680 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.773 14.442 2.782 1.00 0.00 C ATOM 0 H VAL A 28 -6.126 13.273 0.420 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.719 11.986 2.895 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.166 13.280 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.032 13.446 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.813 11.746 3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.627 12.527 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.507 15.206 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.098 14.290 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.201 14.766 1.913 1.00 0.00 H new ATOM 139 N ALA A 29 -7.835 10.518 0.825 1.00 0.00 N ATOM 140 CA ALA A 29 -8.538 9.266 0.576 1.00 0.00 C ATOM 141 C ALA A 29 -7.555 8.101 0.534 1.00 0.00 C ATOM 142 O ALA A 29 -7.856 7.008 1.006 1.00 0.00 O ATOM 143 CB ALA A 29 -9.295 9.343 -0.754 1.00 0.00 C ATOM 0 H ALA A 29 -7.916 11.209 0.079 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.247 9.103 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.817 8.402 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.018 10.157 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.589 9.524 -1.565 1.00 0.00 H new ATOM 149 N ALA A 30 -6.381 8.343 -0.036 1.00 0.00 N ATOM 150 CA ALA A 30 -5.369 7.301 -0.135 1.00 0.00 C ATOM 151 C ALA A 30 -4.972 6.802 1.251 1.00 0.00 C ATOM 152 O ALA A 30 -4.801 5.602 1.461 1.00 0.00 O ATOM 153 CB ALA A 30 -4.134 7.841 -0.856 1.00 0.00 C ATOM 0 H ALA A 30 -6.109 9.242 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.787 6.469 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.381 7.056 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.412 8.168 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.727 8.685 -0.299 1.00 0.00 H new ATOM 159 N ASN A 31 -4.828 7.729 2.194 1.00 0.00 N ATOM 160 CA ASN A 31 -4.450 7.357 3.554 1.00 0.00 C ATOM 161 C ASN A 31 -5.532 6.495 4.197 1.00 0.00 C ATOM 162 O ASN A 31 -5.236 5.498 4.855 1.00 0.00 O ATOM 163 CB ASN A 31 -4.234 8.616 4.395 1.00 0.00 C ATOM 164 CG ASN A 31 -2.966 9.334 3.947 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.133 8.751 3.255 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.769 10.574 4.307 1.00 0.00 N ATOM 0 H ASN A 31 -4.965 8.729 2.045 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.525 6.783 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.092 9.281 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.157 8.350 5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.922 11.062 4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.462 11.055 4.881 1.00 0.00 H new ATOM 173 N ILE A 32 -6.790 6.887 4.004 1.00 0.00 N ATOM 174 CA ILE A 32 -7.910 6.141 4.571 1.00 0.00 C ATOM 175 C ILE A 32 -8.003 4.754 3.941 1.00 0.00 C ATOM 176 O ILE A 32 -8.216 3.758 4.632 1.00 0.00 O ATOM 177 CB ILE A 32 -9.217 6.909 4.344 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.193 8.198 5.170 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.404 6.048 4.788 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.354 9.098 4.744 1.00 0.00 C ATOM 0 H ILE A 32 -7.057 7.710 3.464 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.745 6.025 5.642 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.318 7.148 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.271 7.964 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.245 8.717 5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.332 6.596 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.421 5.125 4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.304 5.809 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.337 10.016 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.256 9.343 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.297 8.578 4.910 1.00 0.00 H new ATOM 192 N ILE A 33 -7.847 4.702 2.622 1.00 0.00 N ATOM 193 CA ILE A 33 -7.921 3.437 1.898 1.00 0.00 C ATOM 194 C ILE A 33 -6.798 2.500 2.339 1.00 0.00 C ATOM 195 O ILE A 33 -7.023 1.308 2.548 1.00 0.00 O ATOM 196 CB ILE A 33 -7.825 3.701 0.391 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.087 4.432 -0.078 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.704 2.374 -0.362 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.850 5.004 -1.476 1.00 0.00 C ATOM 0 H ILE A 33 -7.669 5.517 2.035 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.875 2.959 2.121 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.946 4.313 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.934 3.746 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.337 5.233 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.636 2.568 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.808 1.848 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.581 1.759 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.746 5.525 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.014 5.703 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.621 4.193 -2.167 1.00 0.00 H new ATOM 211 N GLY A 34 -5.593 3.041 2.477 1.00 0.00 N ATOM 212 CA GLY A 34 -4.452 2.232 2.890 1.00 0.00 C ATOM 213 C GLY A 34 -4.688 1.625 4.270 1.00 0.00 C ATOM 214 O GLY A 34 -4.428 0.442 4.491 1.00 0.00 O ATOM 0 H GLY A 34 -5.382 4.025 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.282 1.438 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.552 2.847 2.907 1.00 0.00 H new ATOM 218 N ILE A 35 -5.186 2.442 5.193 1.00 0.00 N ATOM 219 CA ILE A 35 -5.458 1.972 6.548 1.00 0.00 C ATOM 220 C ILE A 35 -6.549 0.901 6.529 1.00 0.00 C ATOM 221 O ILE A 35 -6.447 -0.117 7.212 1.00 0.00 O ATOM 222 CB ILE A 35 -5.884 3.147 7.438 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.694 4.092 7.633 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.339 2.618 8.801 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.167 5.392 8.289 1.00 0.00 C ATOM 0 H ILE A 35 -5.408 3.424 5.030 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.547 1.534 6.956 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.706 3.683 6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.937 3.615 8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.228 4.308 6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.641 3.453 9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.183 1.941 8.665 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.517 2.083 9.276 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.317 6.061 8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.908 5.873 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.613 5.169 9.258 1.00 0.00 H new ATOM 237 N LEU A 36 -7.593 1.142 5.741 1.00 0.00 N ATOM 238 CA LEU A 36 -8.698 0.194 5.640 1.00 0.00 C ATOM 239 C LEU A 36 -8.202 -1.142 5.104 1.00 0.00 C ATOM 240 O LEU A 36 -8.624 -2.202 5.568 1.00 0.00 O ATOM 241 CB LEU A 36 -9.791 0.751 4.718 1.00 0.00 C ATOM 242 CG LEU A 36 -10.917 -0.279 4.530 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.485 -0.705 5.892 1.00 0.00 C ATOM 244 CD2 LEU A 36 -12.029 0.354 3.687 1.00 0.00 C ATOM 0 H LEU A 36 -7.697 1.979 5.167 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.116 0.042 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.198 1.670 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.361 1.009 3.750 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.519 -1.161 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.281 -1.434 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.693 -1.151 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.885 0.168 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.834 -0.367 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.416 1.235 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.629 0.645 2.716 1.00 0.00 H new ATOM 256 N HIS A 37 -7.304 -1.085 4.130 1.00 0.00 N ATOM 257 CA HIS A 37 -6.765 -2.302 3.547 1.00 0.00 C ATOM 258 C HIS A 37 -6.102 -3.147 4.626 1.00 0.00 C ATOM 259 O HIS A 37 -6.249 -4.368 4.647 1.00 0.00 O ATOM 260 CB HIS A 37 -5.734 -1.963 2.471 1.00 0.00 C ATOM 261 CG HIS A 37 -5.226 -3.241 1.865 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.416 -3.558 0.532 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.551 -4.307 2.407 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.870 -4.767 0.321 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.328 -5.267 1.429 1.00 0.00 N ATOM 0 H HIS A 37 -6.938 -0.220 3.732 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.585 -2.861 3.097 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.184 -1.334 1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.909 -1.397 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.240 -4.387 3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.871 -5.273 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.852 -6.162 1.537 1.00 0.00 H new ATOM 273 N LEU A 38 -5.370 -2.491 5.519 1.00 0.00 N ATOM 274 CA LEU A 38 -4.684 -3.200 6.593 1.00 0.00 C ATOM 275 C LEU A 38 -5.677 -3.929 7.490 1.00 0.00 C ATOM 276 O LEU A 38 -5.420 -5.047 7.920 1.00 0.00 O ATOM 277 CB LEU A 38 -3.838 -2.213 7.429 1.00 0.00 C ATOM 278 CG LEU A 38 -2.420 -2.083 6.832 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.777 -0.771 7.289 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.538 -3.256 7.297 1.00 0.00 C ATOM 0 H LEU A 38 -5.237 -1.480 5.522 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.025 -3.942 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.322 -1.236 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.775 -2.560 8.460 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.502 -2.095 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.777 -0.688 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.385 0.069 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.710 -0.758 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.541 -3.153 6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.469 -3.250 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.979 -4.196 6.966 1.00 0.00 H new ATOM 292 N ILE A 39 -6.805 -3.307 7.781 1.00 0.00 N ATOM 293 CA ILE A 39 -7.781 -3.952 8.644 1.00 0.00 C ATOM 294 C ILE A 39 -8.219 -5.289 8.050 1.00 0.00 C ATOM 295 O ILE A 39 -8.193 -6.315 8.727 1.00 0.00 O ATOM 296 CB ILE A 39 -8.995 -3.038 8.819 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.534 -1.700 9.407 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.006 -3.692 9.763 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.698 -0.706 9.426 1.00 0.00 C ATOM 0 H ILE A 39 -7.065 -2.380 7.444 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.323 -4.137 9.616 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.469 -2.872 7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.156 -1.849 10.418 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.712 -1.298 8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.868 -3.036 9.884 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.330 -4.645 9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.540 -3.861 10.734 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.360 0.242 9.846 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.056 -0.546 8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.508 -1.105 10.037 1.00 0.00 H new ATOM 311 N LEU A 40 -8.607 -5.274 6.779 1.00 0.00 N ATOM 312 CA LEU A 40 -9.039 -6.499 6.113 1.00 0.00 C ATOM 313 C LEU A 40 -7.871 -7.474 5.916 1.00 0.00 C ATOM 314 O LEU A 40 -8.015 -8.674 6.146 1.00 0.00 O ATOM 315 CB LEU A 40 -9.669 -6.153 4.755 1.00 0.00 C ATOM 316 CG LEU A 40 -11.113 -5.654 4.955 1.00 0.00 C ATOM 317 CD1 LEU A 40 -12.034 -6.804 5.422 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.117 -4.527 6.000 1.00 0.00 C ATOM 0 H LEU A 40 -8.632 -4.438 6.195 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.778 -6.988 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.077 -5.387 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.665 -7.031 4.109 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.491 -5.280 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.048 -6.427 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.037 -7.595 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.667 -7.203 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.136 -4.170 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.726 -4.905 6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.491 -3.706 5.652 1.00 0.00 H new ATOM 330 N TRP A 41 -6.725 -6.954 5.481 1.00 0.00 N ATOM 331 CA TRP A 41 -5.554 -7.795 5.248 1.00 0.00 C ATOM 332 C TRP A 41 -5.045 -8.397 6.556 1.00 0.00 C ATOM 333 O TRP A 41 -4.605 -9.545 6.588 1.00 0.00 O ATOM 334 CB TRP A 41 -4.454 -6.997 4.543 1.00 0.00 C ATOM 335 CG TRP A 41 -3.209 -7.826 4.427 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.953 -8.726 3.450 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.030 -7.804 5.275 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.706 -9.284 3.671 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.096 -8.739 4.780 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.692 -7.071 6.420 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.132 -8.937 5.402 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.452 -7.264 7.045 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.456 -8.195 6.536 1.00 0.00 C ATOM 0 H TRP A 41 -6.583 -5.963 5.284 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.847 -8.619 4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.792 -6.694 3.552 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.242 -6.085 5.100 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.614 -8.969 2.631 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.290 -10.009 3.086 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.391 -6.353 6.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.830 -9.661 5.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.198 -6.690 7.924 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.410 -8.340 7.022 1.00 0.00 H new ATOM 354 N ILE A 42 -5.108 -7.619 7.631 1.00 0.00 N ATOM 355 CA ILE A 42 -4.651 -8.100 8.930 1.00 0.00 C ATOM 356 C ILE A 42 -5.474 -9.312 9.356 1.00 0.00 C ATOM 357 O ILE A 42 -4.921 -10.297 9.827 1.00 0.00 O ATOM 358 CB ILE A 42 -4.782 -6.978 9.986 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.613 -5.990 9.843 1.00 0.00 C ATOM 360 CG2 ILE A 42 -4.771 -7.571 11.407 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.962 -4.673 10.543 1.00 0.00 C ATOM 0 H ILE A 42 -5.466 -6.664 7.630 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.604 -8.392 8.850 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.727 -6.459 9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.709 -6.416 10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.404 -5.809 8.789 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.864 -6.767 12.137 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.606 -8.262 11.519 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.835 -8.104 11.572 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.131 -3.975 10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.855 -4.244 10.088 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.149 -4.861 11.600 1.00 0.00 H new ATOM 373 N LEU A 43 -6.790 -9.229 9.194 1.00 0.00 N ATOM 374 CA LEU A 43 -7.668 -10.329 9.588 1.00 0.00 C ATOM 375 C LEU A 43 -7.326 -11.598 8.811 1.00 0.00 C ATOM 376 O LEU A 43 -7.290 -12.689 9.379 1.00 0.00 O ATOM 377 CB LEU A 43 -9.125 -9.941 9.322 1.00 0.00 C ATOM 378 CG LEU A 43 -9.556 -8.813 10.276 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.879 -8.219 9.784 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.736 -9.349 11.711 1.00 0.00 C ATOM 0 H LEU A 43 -7.270 -8.421 8.797 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.526 -10.524 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.240 -9.616 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.771 -10.809 9.457 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.781 -8.047 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.191 -7.419 10.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.747 -7.818 8.779 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.643 -8.996 9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.041 -8.534 12.368 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.501 -10.125 11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.793 -9.767 12.064 1.00 0.00 H new ATOM 392 N ASP A 44 -7.072 -11.449 7.518 1.00 0.00 N ATOM 393 CA ASP A 44 -6.727 -12.590 6.680 1.00 0.00 C ATOM 394 C ASP A 44 -5.419 -13.224 7.150 1.00 0.00 C ATOM 395 O ASP A 44 -5.215 -14.430 7.008 1.00 0.00 O ATOM 396 CB ASP A 44 -6.589 -12.153 5.220 1.00 0.00 C ATOM 397 CG ASP A 44 -6.209 -13.347 4.351 1.00 0.00 C ATOM 398 OD1 ASP A 44 -6.268 -14.459 4.847 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.863 -13.131 3.200 1.00 0.00 O ATOM 0 H ASP A 44 -7.098 -10.555 7.028 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.527 -13.326 6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.527 -11.723 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.830 -11.375 5.135 1.00 0.00 H new ATOM 404 N ARG A 45 -4.528 -12.399 7.695 1.00 0.00 N ATOM 405 CA ARG A 45 -3.232 -12.879 8.169 1.00 0.00 C ATOM 406 C ARG A 45 -3.411 -13.968 9.227 1.00 0.00 C ATOM 407 O ARG A 45 -2.662 -14.944 9.258 1.00 0.00 O ATOM 408 CB ARG A 45 -2.421 -11.708 8.754 1.00 0.00 C ATOM 409 CG ARG A 45 -0.921 -12.014 8.671 1.00 0.00 C ATOM 410 CD ARG A 45 -0.124 -10.883 9.324 1.00 0.00 C ATOM 411 NE ARG A 45 1.299 -11.035 9.035 1.00 0.00 N ATOM 412 CZ ARG A 45 2.019 -12.011 9.581 1.00 0.00 C ATOM 413 NH1 ARG A 45 1.458 -12.859 10.398 1.00 0.00 N ATOM 414 NH2 ARG A 45 3.288 -12.123 9.297 1.00 0.00 N ATOM 0 H ARG A 45 -4.679 -11.398 7.819 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.692 -13.305 7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.644 -10.792 8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.709 -11.538 9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.705 -12.959 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.621 -12.128 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.476 -9.920 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.286 -10.890 10.402 1.00 0.00 H new ATOM 0 HE ARG A 45 1.751 -10.378 8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.466 -12.774 10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.011 -13.607 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.728 -11.462 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.840 -12.871 9.716 1.00 0.00 H new ATOM 428 N LEU A 46 -4.401 -13.794 10.097 1.00 0.00 N ATOM 429 CA LEU A 46 -4.660 -14.767 11.155 1.00 0.00 C ATOM 430 C LEU A 46 -5.004 -16.128 10.551 1.00 0.00 C ATOM 431 O LEU A 46 -4.548 -17.164 11.035 1.00 0.00 O ATOM 432 CB LEU A 46 -5.827 -14.287 12.033 1.00 0.00 C ATOM 433 CG LEU A 46 -5.340 -13.245 13.057 1.00 0.00 C ATOM 434 CD1 LEU A 46 -4.439 -13.895 14.123 1.00 0.00 C ATOM 435 CD2 LEU A 46 -4.566 -12.145 12.327 1.00 0.00 C ATOM 0 H LEU A 46 -5.034 -12.994 10.092 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.762 -14.865 11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.606 -13.853 11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.272 -15.136 12.553 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.208 -12.819 13.561 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.110 -13.136 14.833 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.999 -14.667 14.651 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.570 -14.343 13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.219 -11.405 13.048 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.709 -12.582 11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.218 -11.664 11.598 1.00 0.00 H new ATOM 447 N PHE A 47 -5.809 -16.119 9.494 1.00 0.00 N ATOM 448 CA PHE A 47 -6.209 -17.356 8.834 1.00 0.00 C ATOM 449 C PHE A 47 -5.125 -17.821 7.868 1.00 0.00 C ATOM 450 O PHE A 47 -5.188 -18.925 7.329 1.00 0.00 O ATOM 451 CB PHE A 47 -7.519 -17.135 8.077 1.00 0.00 C ATOM 452 CG PHE A 47 -8.635 -16.912 9.072 1.00 0.00 C ATOM 453 CD1 PHE A 47 -8.672 -15.730 9.821 1.00 0.00 C ATOM 454 CD2 PHE A 47 -9.624 -17.888 9.257 1.00 0.00 C ATOM 455 CE1 PHE A 47 -9.693 -15.520 10.753 1.00 0.00 C ATOM 456 CE2 PHE A 47 -10.648 -17.678 10.190 1.00 0.00 C ATOM 457 CZ PHE A 47 -10.681 -16.496 10.939 1.00 0.00 C ATOM 0 H PHE A 47 -6.196 -15.272 9.077 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.353 -18.127 9.591 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.429 -16.275 7.414 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.741 -17.999 7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.910 -14.978 9.679 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.597 -18.801 8.681 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.720 -14.607 11.329 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.412 -18.428 10.331 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.468 -16.336 11.661 1.00 0.00 H new ATOM 467 N PHE A 48 -4.126 -16.965 7.654 1.00 0.00 N ATOM 468 CA PHE A 48 -3.022 -17.291 6.754 1.00 0.00 C ATOM 469 C PHE A 48 -1.763 -16.525 7.146 1.00 0.00 C ATOM 470 O PHE A 48 -1.595 -15.363 6.780 1.00 0.00 O ATOM 471 CB PHE A 48 -3.408 -16.946 5.314 1.00 0.00 C ATOM 472 CG PHE A 48 -4.457 -17.917 4.828 1.00 0.00 C ATOM 473 CD1 PHE A 48 -4.070 -19.104 4.195 1.00 0.00 C ATOM 474 CD2 PHE A 48 -5.815 -17.633 5.014 1.00 0.00 C ATOM 475 CE1 PHE A 48 -5.040 -20.008 3.746 1.00 0.00 C ATOM 476 CE2 PHE A 48 -6.786 -18.537 4.565 1.00 0.00 C ATOM 477 CZ PHE A 48 -6.399 -19.723 3.932 1.00 0.00 C ATOM 0 H PHE A 48 -4.059 -16.045 8.090 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.817 -18.359 6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.789 -15.926 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.530 -16.991 4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.022 -19.323 4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.114 -16.718 5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.741 -20.923 3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.834 -18.318 4.708 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.149 -20.420 3.586 1.00 0.00 H new ATOM 487 N LYS A 49 -0.878 -17.188 7.887 1.00 0.00 N ATOM 488 CA LYS A 49 0.369 -16.563 8.317 1.00 0.00 C ATOM 489 C LYS A 49 1.421 -16.663 7.218 1.00 0.00 C ATOM 490 O LYS A 49 2.588 -16.482 7.523 1.00 0.00 O ATOM 491 CB LYS A 49 0.886 -17.245 9.586 1.00 0.00 C ATOM 492 CG LYS A 49 0.955 -18.757 9.365 1.00 0.00 C ATOM 493 CD LYS A 49 1.694 -19.423 10.530 1.00 0.00 C ATOM 494 CE LYS A 49 0.868 -19.305 11.814 1.00 0.00 C ATOM 495 NZ LYS A 49 1.386 -20.271 12.826 1.00 0.00 N ATOM 496 OXT LYS A 49 1.044 -16.922 6.086 1.00 0.00 O ATOM 0 H LYS A 49 -1.000 -18.151 8.200 1.00 0.00 H new ATOM 0 HA LYS A 49 0.175 -15.511 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.873 -16.859 9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.228 -17.020 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.051 -19.167 9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.467 -18.973 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.877 -20.473 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.667 -18.952 10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.924 -18.288 12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.182 -19.509 11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.826 -20.193 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.311 -21.239 12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.382 -20.056 13.033 1.00 0.00 H new TER 510 LYS A 49 ATOM 511 N SER B 19 7.281 20.999 -14.152 1.00 0.00 N ATOM 512 CA SER B 19 6.121 20.263 -13.576 1.00 0.00 C ATOM 513 C SER B 19 5.489 21.100 -12.469 1.00 0.00 C ATOM 514 O SER B 19 5.897 22.235 -12.227 1.00 0.00 O ATOM 515 CB SER B 19 6.598 18.926 -13.010 1.00 0.00 C ATOM 516 OG SER B 19 7.517 19.166 -11.952 1.00 0.00 O ATOM 0 HA SER B 19 5.380 20.079 -14.354 1.00 0.00 H new ATOM 0 HB2 SER B 19 5.749 18.348 -12.646 1.00 0.00 H new ATOM 0 HB3 SER B 19 7.073 18.335 -13.793 1.00 0.00 H new ATOM 0 HG SER B 19 8.056 19.958 -12.160 1.00 0.00 H new ATOM 524 N ASN B 20 4.492 20.529 -11.797 1.00 0.00 N ATOM 525 CA ASN B 20 3.808 21.230 -10.712 1.00 0.00 C ATOM 526 C ASN B 20 4.546 21.028 -9.395 1.00 0.00 C ATOM 527 O ASN B 20 4.505 19.947 -8.807 1.00 0.00 O ATOM 528 CB ASN B 20 2.375 20.712 -10.580 1.00 0.00 C ATOM 529 CG ASN B 20 1.534 21.201 -11.755 1.00 0.00 C ATOM 530 OD1 ASN B 20 1.901 22.168 -12.424 1.00 0.00 O ATOM 531 ND2 ASN B 20 0.421 20.586 -12.050 1.00 0.00 N ATOM 0 H ASN B 20 4.141 19.589 -11.982 1.00 0.00 H new ATOM 0 HA ASN B 20 3.791 22.295 -10.946 1.00 0.00 H new ATOM 0 HB2 ASN B 20 2.375 19.622 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN B 20 1.940 21.057 -9.642 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -0.146 20.906 -12.835 1.00 0.00 H new ATOM 0 HD22 ASN B 20 0.118 19.785 -11.495 1.00 0.00 H new ATOM 538 N ASP B 21 5.221 22.076 -8.935 1.00 0.00 N ATOM 539 CA ASP B 21 5.968 22.010 -7.684 1.00 0.00 C ATOM 540 C ASP B 21 5.021 21.774 -6.512 1.00 0.00 C ATOM 541 O ASP B 21 5.359 21.070 -5.560 1.00 0.00 O ATOM 542 CB ASP B 21 6.740 23.313 -7.467 1.00 0.00 C ATOM 543 CG ASP B 21 7.544 23.236 -6.174 1.00 0.00 C ATOM 544 OD1 ASP B 21 7.399 22.254 -5.465 1.00 0.00 O ATOM 545 OD2 ASP B 21 8.298 24.159 -5.913 1.00 0.00 O ATOM 0 H ASP B 21 5.266 22.979 -9.408 1.00 0.00 H new ATOM 0 HA ASP B 21 6.671 21.179 -7.743 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.408 23.494 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.047 24.153 -7.424 1.00 0.00 H new ATOM 550 N SER B 22 3.837 22.370 -6.586 1.00 0.00 N ATOM 551 CA SER B 22 2.849 22.224 -5.523 1.00 0.00 C ATOM 552 C SER B 22 2.484 20.754 -5.323 1.00 0.00 C ATOM 553 O SER B 22 2.394 20.277 -4.192 1.00 0.00 O ATOM 554 CB SER B 22 1.590 23.020 -5.869 1.00 0.00 C ATOM 555 OG SER B 22 0.527 22.613 -5.018 1.00 0.00 O ATOM 0 H SER B 22 3.538 22.956 -7.366 1.00 0.00 H new ATOM 0 HA SER B 22 3.281 22.607 -4.598 1.00 0.00 H new ATOM 0 HB2 SER B 22 1.777 24.087 -5.751 1.00 0.00 H new ATOM 0 HB3 SER B 22 1.318 22.857 -6.912 1.00 0.00 H new ATOM 0 HG SER B 22 -0.317 22.984 -5.349 1.00 0.00 H new ATOM 561 N SER B 23 2.279 20.042 -6.428 1.00 0.00 N ATOM 562 CA SER B 23 1.930 18.623 -6.372 1.00 0.00 C ATOM 563 C SER B 23 2.592 17.875 -7.525 1.00 0.00 C ATOM 564 O SER B 23 2.343 18.170 -8.694 1.00 0.00 O ATOM 565 CB SER B 23 0.412 18.457 -6.457 1.00 0.00 C ATOM 566 OG SER B 23 -0.192 19.102 -5.342 1.00 0.00 O ATOM 0 H SER B 23 2.348 20.422 -7.372 1.00 0.00 H new ATOM 0 HA SER B 23 2.285 18.210 -5.428 1.00 0.00 H new ATOM 0 HB2 SER B 23 0.039 18.886 -7.387 1.00 0.00 H new ATOM 0 HB3 SER B 23 0.150 17.399 -6.466 1.00 0.00 H new ATOM 0 HG SER B 23 -1.165 19.000 -5.393 1.00 0.00 H new ATOM 572 N ASP B 24 3.438 16.910 -7.185 1.00 0.00 N ATOM 573 CA ASP B 24 4.139 16.123 -8.197 1.00 0.00 C ATOM 574 C ASP B 24 3.223 15.016 -8.742 1.00 0.00 C ATOM 575 O ASP B 24 2.346 14.528 -8.027 1.00 0.00 O ATOM 576 CB ASP B 24 5.404 15.500 -7.586 1.00 0.00 C ATOM 577 CG ASP B 24 6.541 16.520 -7.559 1.00 0.00 C ATOM 578 OD1 ASP B 24 6.256 17.691 -7.373 1.00 0.00 O ATOM 579 OD2 ASP B 24 7.679 16.113 -7.727 1.00 0.00 O ATOM 0 H ASP B 24 3.656 16.653 -6.222 1.00 0.00 H new ATOM 0 HA ASP B 24 4.422 16.780 -9.020 1.00 0.00 H new ATOM 0 HB2 ASP B 24 5.194 15.153 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP B 24 5.704 14.627 -8.166 1.00 0.00 H new ATOM 584 N PRO B 25 3.412 14.608 -9.976 1.00 0.00 N ATOM 585 CA PRO B 25 2.580 13.533 -10.603 1.00 0.00 C ATOM 586 C PRO B 25 2.799 12.173 -9.935 1.00 0.00 C ATOM 587 O PRO B 25 1.962 11.278 -10.040 1.00 0.00 O ATOM 588 CB PRO B 25 3.041 13.523 -12.073 1.00 0.00 C ATOM 589 CG PRO B 25 4.417 14.111 -12.056 1.00 0.00 C ATOM 590 CD PRO B 25 4.430 15.121 -10.913 1.00 0.00 C ATOM 0 HA PRO B 25 1.512 13.722 -10.497 1.00 0.00 H new ATOM 0 HB2 PRO B 25 3.050 12.510 -12.476 1.00 0.00 H new ATOM 0 HB3 PRO B 25 2.370 14.109 -12.700 1.00 0.00 H new ATOM 0 HG2 PRO B 25 5.170 13.338 -11.902 1.00 0.00 H new ATOM 0 HG3 PRO B 25 4.646 14.594 -13.006 1.00 0.00 H new ATOM 0 HD2 PRO B 25 5.412 15.180 -10.443 1.00 0.00 H new ATOM 0 HD3 PRO B 25 4.183 16.123 -11.262 1.00 0.00 H new ATOM 598 N LEU B 26 3.932 12.026 -9.255 1.00 0.00 N ATOM 599 CA LEU B 26 4.250 10.769 -8.582 1.00 0.00 C ATOM 600 C LEU B 26 3.221 10.472 -7.492 1.00 0.00 C ATOM 601 O LEU B 26 2.788 9.331 -7.329 1.00 0.00 O ATOM 602 CB LEU B 26 5.655 10.850 -7.964 1.00 0.00 C ATOM 603 CG LEU B 26 6.713 10.588 -9.041 1.00 0.00 C ATOM 604 CD1 LEU B 26 6.560 11.608 -10.170 1.00 0.00 C ATOM 605 CD2 LEU B 26 8.109 10.716 -8.425 1.00 0.00 C ATOM 0 H LEU B 26 4.640 12.754 -9.155 1.00 0.00 H new ATOM 0 HA LEU B 26 4.224 9.963 -9.316 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.811 11.833 -7.520 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.752 10.119 -7.161 1.00 0.00 H new ATOM 0 HG LEU B 26 6.581 9.583 -9.441 1.00 0.00 H new ATOM 0 HD11 LEU B 26 7.313 11.420 -10.935 1.00 0.00 H new ATOM 0 HD12 LEU B 26 5.567 11.518 -10.609 1.00 0.00 H new ATOM 0 HD13 LEU B 26 6.691 12.614 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU B 26 8.863 10.530 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU B 26 8.239 11.721 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU B 26 8.220 9.988 -7.621 1.00 0.00 H new ATOM 617 N VAL B 27 2.836 11.503 -6.749 1.00 0.00 N ATOM 618 CA VAL B 27 1.860 11.339 -5.677 1.00 0.00 C ATOM 619 C VAL B 27 0.519 10.881 -6.240 1.00 0.00 C ATOM 620 O VAL B 27 -0.116 9.974 -5.701 1.00 0.00 O ATOM 621 CB VAL B 27 1.682 12.663 -4.928 1.00 0.00 C ATOM 622 CG1 VAL B 27 0.564 12.525 -3.891 1.00 0.00 C ATOM 623 CG2 VAL B 27 2.991 13.023 -4.220 1.00 0.00 C ATOM 0 H VAL B 27 3.182 12.455 -6.867 1.00 0.00 H new ATOM 0 HA VAL B 27 2.227 10.579 -4.987 1.00 0.00 H new ATOM 0 HB VAL B 27 1.419 13.448 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL B 27 0.441 13.469 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -0.368 12.267 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL B 27 0.822 11.740 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL B 27 2.868 13.965 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.250 12.236 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.787 13.125 -4.957 1.00 0.00 H new ATOM 633 N VAL B 28 0.094 11.515 -7.328 1.00 0.00 N ATOM 634 CA VAL B 28 -1.174 11.166 -7.959 1.00 0.00 C ATOM 635 C VAL B 28 -1.145 9.723 -8.452 1.00 0.00 C ATOM 636 O VAL B 28 -2.099 8.972 -8.257 1.00 0.00 O ATOM 637 CB VAL B 28 -1.449 12.109 -9.132 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.710 11.656 -9.873 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.652 13.531 -8.607 1.00 0.00 C ATOM 0 H VAL B 28 0.605 12.268 -7.789 1.00 0.00 H new ATOM 0 HA VAL B 28 -1.970 11.268 -7.221 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.601 12.090 -9.816 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.903 12.330 -10.708 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.567 10.643 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.559 11.672 -9.190 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.848 14.203 -9.443 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.499 13.548 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.754 13.857 -8.082 1.00 0.00 H new ATOM 649 N ALA B 29 -0.045 9.345 -9.095 1.00 0.00 N ATOM 650 CA ALA B 29 0.092 7.988 -9.613 1.00 0.00 C ATOM 651 C ALA B 29 0.041 6.976 -8.476 1.00 0.00 C ATOM 652 O ALA B 29 -0.527 5.895 -8.622 1.00 0.00 O ATOM 653 CB ALA B 29 1.417 7.844 -10.367 1.00 0.00 C ATOM 0 H ALA B 29 0.757 9.951 -9.269 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.735 7.796 -10.296 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.509 6.828 -10.750 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.441 8.548 -11.199 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.245 8.054 -9.690 1.00 0.00 H new ATOM 659 N ALA B 30 0.637 7.330 -7.345 1.00 0.00 N ATOM 660 CA ALA B 30 0.653 6.435 -6.195 1.00 0.00 C ATOM 661 C ALA B 30 -0.767 6.119 -5.740 1.00 0.00 C ATOM 662 O ALA B 30 -1.079 4.978 -5.399 1.00 0.00 O ATOM 663 CB ALA B 30 1.428 7.081 -5.045 1.00 0.00 C ATOM 0 H ALA B 30 1.111 8.221 -7.199 1.00 0.00 H new ATOM 0 HA ALA B 30 1.142 5.506 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.436 6.407 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.452 7.278 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.948 8.019 -4.764 1.00 0.00 H new ATOM 669 N ASN B 31 -1.627 7.133 -5.733 1.00 0.00 N ATOM 670 CA ASN B 31 -3.010 6.937 -5.312 1.00 0.00 C ATOM 671 C ASN B 31 -3.734 5.990 -6.266 1.00 0.00 C ATOM 672 O ASN B 31 -4.471 5.104 -5.835 1.00 0.00 O ATOM 673 CB ASN B 31 -3.740 8.281 -5.282 1.00 0.00 C ATOM 674 CG ASN B 31 -3.219 9.132 -4.127 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.563 8.616 -3.221 1.00 0.00 O ATOM 676 ND2 ASN B 31 -3.474 10.411 -4.105 1.00 0.00 N ATOM 0 H ASN B 31 -1.395 8.087 -6.010 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.006 6.499 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.593 8.805 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.812 8.119 -5.171 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.130 10.986 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -4.017 10.836 -4.856 1.00 0.00 H new ATOM 683 N ILE B 32 -3.516 6.183 -7.564 1.00 0.00 N ATOM 684 CA ILE B 32 -4.154 5.338 -8.571 1.00 0.00 C ATOM 685 C ILE B 32 -3.645 3.902 -8.465 1.00 0.00 C ATOM 686 O ILE B 32 -4.420 2.949 -8.541 1.00 0.00 O ATOM 687 CB ILE B 32 -3.872 5.890 -9.972 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.583 7.238 -10.135 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.395 4.913 -11.028 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.090 7.925 -11.411 1.00 0.00 C ATOM 0 H ILE B 32 -2.908 6.910 -7.942 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.230 5.340 -8.395 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.797 6.019 -10.100 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.662 7.089 -10.183 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.387 7.871 -9.270 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.192 5.310 -12.023 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.896 3.951 -10.912 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.470 4.782 -10.902 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.596 8.884 -11.527 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.014 8.088 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.308 7.293 -12.272 1.00 0.00 H new ATOM 702 N ILE B 33 -2.335 3.760 -8.297 1.00 0.00 N ATOM 703 CA ILE B 33 -1.723 2.440 -8.188 1.00 0.00 C ATOM 704 C ILE B 33 -2.236 1.710 -6.947 1.00 0.00 C ATOM 705 O ILE B 33 -2.547 0.522 -7.003 1.00 0.00 O ATOM 706 CB ILE B 33 -0.198 2.583 -8.121 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.327 3.089 -9.467 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.438 1.225 -7.813 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.773 3.562 -9.300 1.00 0.00 C ATOM 0 H ILE B 33 -1.679 4.538 -8.234 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.993 1.854 -9.067 1.00 0.00 H new ATOM 0 HB ILE B 33 0.060 3.292 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.276 2.295 -10.212 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.296 3.907 -9.829 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.522 1.333 -7.767 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.068 0.859 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.177 0.515 -8.598 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.150 3.923 -10.257 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.810 4.368 -8.568 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.390 2.732 -8.957 1.00 0.00 H new ATOM 721 N GLY B 34 -2.317 2.427 -5.832 1.00 0.00 N ATOM 722 CA GLY B 34 -2.790 1.825 -4.591 1.00 0.00 C ATOM 723 C GLY B 34 -4.219 1.312 -4.743 1.00 0.00 C ATOM 724 O GLY B 34 -4.540 0.201 -4.322 1.00 0.00 O ATOM 0 H GLY B 34 -2.065 3.413 -5.761 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.133 1.003 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.747 2.559 -3.787 1.00 0.00 H new ATOM 728 N ILE B 35 -5.072 2.125 -5.360 1.00 0.00 N ATOM 729 CA ILE B 35 -6.462 1.740 -5.570 1.00 0.00 C ATOM 730 C ILE B 35 -6.544 0.529 -6.498 1.00 0.00 C ATOM 731 O ILE B 35 -7.312 -0.405 -6.256 1.00 0.00 O ATOM 732 CB ILE B 35 -7.251 2.914 -6.163 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.357 4.030 -5.121 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.659 2.447 -6.546 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.900 5.302 -5.778 1.00 0.00 C ATOM 0 H ILE B 35 -4.827 3.047 -5.720 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.898 1.472 -4.608 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.737 3.284 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.014 3.720 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.378 4.225 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.218 3.283 -6.967 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.589 1.648 -7.285 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.173 2.077 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.974 6.094 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.226 5.616 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.887 5.103 -6.195 1.00 0.00 H new ATOM 747 N LEU B 36 -5.745 0.551 -7.562 1.00 0.00 N ATOM 748 CA LEU B 36 -5.733 -0.547 -8.520 1.00 0.00 C ATOM 749 C LEU B 36 -5.311 -1.842 -7.838 1.00 0.00 C ATOM 750 O LEU B 36 -5.866 -2.907 -8.109 1.00 0.00 O ATOM 751 CB LEU B 36 -4.774 -0.230 -9.675 1.00 0.00 C ATOM 752 CG LEU B 36 -4.685 -1.422 -10.645 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.082 -1.804 -11.153 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.798 -1.027 -11.830 1.00 0.00 C ATOM 0 H LEU B 36 -5.102 1.312 -7.780 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.740 -0.671 -8.917 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.119 0.656 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.784 0.000 -9.281 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.259 -2.280 -10.125 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.002 -2.648 -11.838 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.713 -2.080 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.524 -0.955 -11.674 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.726 -1.863 -12.526 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.233 -0.167 -12.340 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.802 -0.769 -11.469 1.00 0.00 H new ATOM 766 N HIS B 37 -4.327 -1.744 -6.954 1.00 0.00 N ATOM 767 CA HIS B 37 -3.846 -2.917 -6.245 1.00 0.00 C ATOM 768 C HIS B 37 -4.989 -3.563 -5.475 1.00 0.00 C ATOM 769 O HIS B 37 -5.116 -4.787 -5.447 1.00 0.00 O ATOM 770 CB HIS B 37 -2.736 -2.530 -5.271 1.00 0.00 C ATOM 771 CG HIS B 37 -2.238 -3.772 -4.586 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.940 -4.230 -4.731 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.863 -4.680 -3.767 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.830 -5.362 -4.018 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.970 -5.680 -3.408 1.00 0.00 N ATOM 0 H HIS B 37 -3.852 -0.874 -6.714 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.451 -3.625 -6.974 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.921 -2.040 -5.803 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.110 -1.818 -4.536 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.894 -4.624 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.076 -5.946 -3.947 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.148 -6.485 -2.807 1.00 0.00 H new ATOM 783 N LEU B 38 -5.819 -2.737 -4.848 1.00 0.00 N ATOM 784 CA LEU B 38 -6.945 -3.245 -4.073 1.00 0.00 C ATOM 785 C LEU B 38 -7.909 -4.029 -4.960 1.00 0.00 C ATOM 786 O LEU B 38 -8.429 -5.059 -4.549 1.00 0.00 O ATOM 787 CB LEU B 38 -7.690 -2.081 -3.382 1.00 0.00 C ATOM 788 CG LEU B 38 -7.079 -1.801 -1.991 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.416 -0.377 -1.548 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.648 -2.793 -0.959 1.00 0.00 C ATOM 0 H LEU B 38 -5.735 -1.721 -4.860 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.554 -3.919 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.630 -1.185 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.747 -2.327 -3.279 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.997 -1.918 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.981 -0.189 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.009 0.334 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.498 -0.259 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.213 -2.590 0.019 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.731 -2.681 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.404 -3.812 -1.260 1.00 0.00 H new ATOM 802 N ILE B 39 -8.154 -3.549 -6.164 1.00 0.00 N ATOM 803 CA ILE B 39 -9.075 -4.250 -7.043 1.00 0.00 C ATOM 804 C ILE B 39 -8.601 -5.681 -7.284 1.00 0.00 C ATOM 805 O ILE B 39 -9.363 -6.633 -7.120 1.00 0.00 O ATOM 806 CB ILE B 39 -9.180 -3.504 -8.377 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.648 -2.070 -8.111 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.184 -4.210 -9.288 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.588 -1.251 -9.404 1.00 0.00 C ATOM 0 H ILE B 39 -7.742 -2.700 -6.550 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.056 -4.286 -6.568 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.206 -3.490 -8.866 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.666 -2.077 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.019 -1.609 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.255 -3.675 -10.235 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.852 -5.232 -9.472 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.162 -4.227 -8.807 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -9.923 -0.233 -9.206 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.563 -1.231 -9.775 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.236 -1.706 -10.153 1.00 0.00 H new ATOM 821 N LEU B 40 -7.337 -5.830 -7.666 1.00 0.00 N ATOM 822 CA LEU B 40 -6.780 -7.156 -7.916 1.00 0.00 C ATOM 823 C LEU B 40 -6.659 -7.970 -6.623 1.00 0.00 C ATOM 824 O LEU B 40 -6.992 -9.155 -6.596 1.00 0.00 O ATOM 825 CB LEU B 40 -5.403 -7.020 -8.581 1.00 0.00 C ATOM 826 CG LEU B 40 -5.569 -6.714 -10.083 1.00 0.00 C ATOM 827 CD1 LEU B 40 -6.138 -7.939 -10.835 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.513 -5.512 -10.251 1.00 0.00 C ATOM 0 H LEU B 40 -6.685 -5.059 -7.808 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.460 -7.689 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.835 -6.224 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.834 -7.941 -8.450 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.592 -6.480 -10.506 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.246 -7.699 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -5.458 -8.783 -10.722 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.112 -8.200 -10.421 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.635 -5.290 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.484 -5.748 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.090 -4.644 -9.745 1.00 0.00 H new ATOM 840 N TRP B 41 -6.175 -7.334 -5.560 1.00 0.00 N ATOM 841 CA TRP B 41 -6.006 -8.020 -4.282 1.00 0.00 C ATOM 842 C TRP B 41 -7.358 -8.427 -3.698 1.00 0.00 C ATOM 843 O TRP B 41 -7.484 -9.497 -3.101 1.00 0.00 O ATOM 844 CB TRP B 41 -5.226 -7.137 -3.299 1.00 0.00 C ATOM 845 CG TRP B 41 -5.174 -7.790 -1.950 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.276 -8.727 -1.564 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.008 -7.529 -0.791 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.535 -9.080 -0.252 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.590 -8.360 0.268 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.085 -6.661 -0.565 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.218 -8.327 1.509 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.716 -6.621 0.685 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.282 -7.453 1.718 1.00 0.00 C ATOM 0 H TRP B 41 -5.895 -6.353 -5.557 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.431 -8.930 -4.455 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.215 -6.971 -3.671 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.701 -6.159 -3.220 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.487 -9.132 -2.180 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.011 -9.785 0.266 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.431 -6.018 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.883 -8.975 2.305 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.541 -5.944 0.850 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.772 -7.419 2.680 1.00 0.00 H new ATOM 864 N ILE B 42 -8.361 -7.577 -3.876 1.00 0.00 N ATOM 865 CA ILE B 42 -9.696 -7.873 -3.361 1.00 0.00 C ATOM 866 C ILE B 42 -10.227 -9.151 -4.006 1.00 0.00 C ATOM 867 O ILE B 42 -10.779 -10.003 -3.322 1.00 0.00 O ATOM 868 CB ILE B 42 -10.651 -6.696 -3.655 1.00 0.00 C ATOM 869 CG1 ILE B 42 -10.415 -5.568 -2.637 1.00 0.00 C ATOM 870 CG2 ILE B 42 -12.118 -7.157 -3.570 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.001 -4.259 -3.172 1.00 0.00 C ATOM 0 H ILE B 42 -8.280 -6.687 -4.367 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.637 -8.016 -2.282 1.00 0.00 H new ATOM 0 HB ILE B 42 -10.451 -6.332 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -10.879 -5.822 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -9.347 -5.450 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -12.777 -6.314 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -12.294 -7.946 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -12.323 -7.537 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -10.832 -3.462 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.517 -4.002 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.072 -4.380 -3.335 1.00 0.00 H new ATOM 883 N LEU B 43 -10.069 -9.268 -5.321 1.00 0.00 N ATOM 884 CA LEU B 43 -10.562 -10.441 -6.036 1.00 0.00 C ATOM 885 C LEU B 43 -9.895 -11.712 -5.516 1.00 0.00 C ATOM 886 O LEU B 43 -10.552 -12.736 -5.335 1.00 0.00 O ATOM 887 CB LEU B 43 -10.275 -10.288 -7.533 1.00 0.00 C ATOM 888 CG LEU B 43 -11.130 -9.154 -8.124 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.597 -8.796 -9.515 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.607 -9.584 -8.235 1.00 0.00 C ATOM 0 H LEU B 43 -9.608 -8.573 -5.908 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.637 -10.520 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.217 -10.075 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.491 -11.223 -8.050 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.070 -8.288 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.199 -7.993 -9.940 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.560 -8.469 -9.434 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.652 -9.671 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.193 -8.767 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -12.684 -10.457 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -12.989 -9.833 -7.245 1.00 0.00 H new ATOM 902 N ASP B 44 -8.592 -11.638 -5.274 1.00 0.00 N ATOM 903 CA ASP B 44 -7.852 -12.790 -4.769 1.00 0.00 C ATOM 904 C ASP B 44 -8.365 -13.190 -3.387 1.00 0.00 C ATOM 905 O ASP B 44 -8.325 -14.363 -3.015 1.00 0.00 O ATOM 906 CB ASP B 44 -6.360 -12.463 -4.689 1.00 0.00 C ATOM 907 CG ASP B 44 -5.593 -13.663 -4.140 1.00 0.00 C ATOM 908 OD1 ASP B 44 -6.189 -14.721 -4.033 1.00 0.00 O ATOM 909 OD2 ASP B 44 -4.422 -13.503 -3.833 1.00 0.00 O ATOM 0 H ASP B 44 -8.029 -10.800 -5.418 1.00 0.00 H new ATOM 0 HA ASP B 44 -8.001 -13.623 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP B 44 -5.983 -12.201 -5.678 1.00 0.00 H new ATOM 0 HB3 ASP B 44 -6.203 -11.596 -4.048 1.00 0.00 H new ATOM 914 N ARG B 45 -8.833 -12.204 -2.626 1.00 0.00 N ATOM 915 CA ARG B 45 -9.336 -12.455 -1.277 1.00 0.00 C ATOM 916 C ARG B 45 -10.485 -13.464 -1.307 1.00 0.00 C ATOM 917 O ARG B 45 -10.594 -14.318 -0.429 1.00 0.00 O ATOM 918 CB ARG B 45 -9.814 -11.135 -0.643 1.00 0.00 C ATOM 919 CG ARG B 45 -9.744 -11.233 0.887 1.00 0.00 C ATOM 920 CD ARG B 45 -10.293 -9.950 1.512 1.00 0.00 C ATOM 921 NE ARG B 45 -10.006 -9.922 2.944 1.00 0.00 N ATOM 922 CZ ARG B 45 -10.624 -10.737 3.792 1.00 0.00 C ATOM 923 NH1 ARG B 45 -11.513 -11.585 3.356 1.00 0.00 N ATOM 924 NH2 ARG B 45 -10.341 -10.691 5.065 1.00 0.00 N ATOM 0 H ARG B 45 -8.875 -11.228 -2.918 1.00 0.00 H new ATOM 0 HA ARG B 45 -8.526 -12.871 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -9.194 -10.309 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -10.836 -10.921 -0.956 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -10.319 -12.092 1.233 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -8.713 -11.391 1.204 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -9.847 -9.081 1.028 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -11.369 -9.889 1.348 1.00 0.00 H new ATOM 0 HE ARG B 45 -9.315 -9.262 3.301 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -11.736 -11.624 2.361 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -11.986 -12.209 4.009 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -9.645 -10.029 5.409 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -10.816 -11.317 5.716 1.00 0.00 H new ATOM 938 N LEU B 46 -11.343 -13.355 -2.319 1.00 0.00 N ATOM 939 CA LEU B 46 -12.482 -14.262 -2.443 1.00 0.00 C ATOM 940 C LEU B 46 -12.000 -15.705 -2.587 1.00 0.00 C ATOM 941 O LEU B 46 -12.568 -16.620 -1.993 1.00 0.00 O ATOM 942 CB LEU B 46 -13.324 -13.876 -3.672 1.00 0.00 C ATOM 943 CG LEU B 46 -14.251 -12.692 -3.340 1.00 0.00 C ATOM 944 CD1 LEU B 46 -15.362 -13.115 -2.362 1.00 0.00 C ATOM 945 CD2 LEU B 46 -13.423 -11.562 -2.726 1.00 0.00 C ATOM 0 H LEU B 46 -11.273 -12.655 -3.058 1.00 0.00 H new ATOM 0 HA LEU B 46 -13.092 -14.181 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -12.668 -13.611 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -13.918 -14.731 -3.996 1.00 0.00 H new ATOM 0 HG LEU B 46 -14.724 -12.350 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -16.001 -12.259 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -15.959 -13.909 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -14.914 -13.477 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -14.075 -10.721 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -12.942 -11.917 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -12.661 -11.242 -3.437 1.00 0.00 H new ATOM 957 N PHE B 47 -10.952 -15.899 -3.381 1.00 0.00 N ATOM 958 CA PHE B 47 -10.403 -17.234 -3.598 1.00 0.00 C ATOM 959 C PHE B 47 -9.471 -17.619 -2.454 1.00 0.00 C ATOM 960 O PHE B 47 -9.031 -18.766 -2.357 1.00 0.00 O ATOM 961 CB PHE B 47 -9.636 -17.264 -4.922 1.00 0.00 C ATOM 962 CG PHE B 47 -10.617 -17.115 -6.064 1.00 0.00 C ATOM 963 CD1 PHE B 47 -11.262 -15.890 -6.271 1.00 0.00 C ATOM 964 CD2 PHE B 47 -10.891 -18.202 -6.907 1.00 0.00 C ATOM 965 CE1 PHE B 47 -12.180 -15.748 -7.317 1.00 0.00 C ATOM 966 CE2 PHE B 47 -11.810 -18.059 -7.954 1.00 0.00 C ATOM 967 CZ PHE B 47 -12.455 -16.832 -8.159 1.00 0.00 C ATOM 0 H PHE B 47 -10.468 -15.154 -3.882 1.00 0.00 H new ATOM 0 HA PHE B 47 -11.224 -17.950 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -8.901 -16.459 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -9.087 -18.201 -5.018 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -11.051 -15.053 -5.622 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -10.394 -19.148 -6.749 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -12.677 -14.802 -7.475 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -12.022 -18.895 -8.604 1.00 0.00 H new ATOM 0 HZ PHE B 47 -13.164 -16.723 -8.966 1.00 0.00 H new ATOM 977 N PHE B 48 -9.179 -16.655 -1.585 1.00 0.00 N ATOM 978 CA PHE B 48 -8.301 -16.898 -0.442 1.00 0.00 C ATOM 979 C PHE B 48 -8.617 -15.931 0.695 1.00 0.00 C ATOM 980 O PHE B 48 -8.154 -14.791 0.700 1.00 0.00 O ATOM 981 CB PHE B 48 -6.840 -16.735 -0.864 1.00 0.00 C ATOM 982 CG PHE B 48 -6.445 -17.883 -1.764 1.00 0.00 C ATOM 983 CD1 PHE B 48 -5.913 -19.052 -1.208 1.00 0.00 C ATOM 984 CD2 PHE B 48 -6.618 -17.779 -3.148 1.00 0.00 C ATOM 985 CE1 PHE B 48 -5.551 -20.118 -2.039 1.00 0.00 C ATOM 986 CE2 PHE B 48 -6.255 -18.845 -3.979 1.00 0.00 C ATOM 987 CZ PHE B 48 -5.721 -20.016 -3.424 1.00 0.00 C ATOM 0 H PHE B 48 -9.535 -15.701 -1.649 1.00 0.00 H new ATOM 0 HA PHE B 48 -8.467 -17.916 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE B 48 -6.704 -15.787 -1.385 1.00 0.00 H new ATOM 0 HB3 PHE B 48 -6.197 -16.710 0.016 1.00 0.00 H new ATOM 0 HD1 PHE B 48 -5.782 -19.131 -0.139 1.00 0.00 H new ATOM 0 HD2 PHE B 48 -7.031 -16.877 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE B 48 -5.140 -21.020 -1.611 1.00 0.00 H new ATOM 0 HE2 PHE B 48 -6.386 -18.765 -5.048 1.00 0.00 H new ATOM 0 HZ PHE B 48 -5.441 -20.839 -4.065 1.00 0.00 H new ATOM 997 N LYS B 49 -9.404 -16.396 1.661 1.00 0.00 N ATOM 998 CA LYS B 49 -9.772 -15.567 2.806 1.00 0.00 C ATOM 999 C LYS B 49 -8.679 -15.610 3.869 1.00 0.00 C ATOM 1000 O LYS B 49 -8.964 -15.247 4.999 1.00 0.00 O ATOM 1001 CB LYS B 49 -11.092 -16.057 3.407 1.00 0.00 C ATOM 1002 CG LYS B 49 -10.999 -17.560 3.688 1.00 0.00 C ATOM 1003 CD LYS B 49 -12.214 -18.012 4.507 1.00 0.00 C ATOM 1004 CE LYS B 49 -13.487 -17.903 3.666 1.00 0.00 C ATOM 1005 NZ LYS B 49 -14.575 -18.695 4.309 1.00 0.00 N ATOM 1006 OXT LYS B 49 -7.573 -16.006 3.538 1.00 0.00 O ATOM 0 H LYS B 49 -9.798 -17.337 1.675 1.00 0.00 H new ATOM 0 HA LYS B 49 -9.891 -14.539 2.463 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.307 -15.517 4.329 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -11.914 -15.855 2.720 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.956 -18.113 2.749 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.080 -17.781 4.231 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.076 -19.041 4.839 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -12.307 -17.398 5.403 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.787 -16.859 3.575 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -13.302 -18.271 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -15.441 -18.622 3.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -14.287 -19.692 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -14.757 -18.324 5.263 1.00 0.00 H new TER 1020 LYS B 49 ATOM 1021 N SER C 19 16.197 20.412 4.231 1.00 0.00 N ATOM 1022 CA SER C 19 15.533 19.576 3.192 1.00 0.00 C ATOM 1023 C SER C 19 14.494 20.416 2.458 1.00 0.00 C ATOM 1024 O SER C 19 14.364 21.615 2.702 1.00 0.00 O ATOM 1025 CB SER C 19 14.858 18.379 3.861 1.00 0.00 C ATOM 1026 OG SER C 19 13.843 18.843 4.742 1.00 0.00 O ATOM 0 HA SER C 19 16.273 19.216 2.478 1.00 0.00 H new ATOM 0 HB2 SER C 19 14.427 17.721 3.106 1.00 0.00 H new ATOM 0 HB3 SER C 19 15.594 17.793 4.412 1.00 0.00 H new ATOM 0 HG SER C 19 14.057 19.753 5.037 1.00 0.00 H new ATOM 1034 N ASN C 20 13.753 19.776 1.556 1.00 0.00 N ATOM 1035 CA ASN C 20 12.723 20.472 0.789 1.00 0.00 C ATOM 1036 C ASN C 20 11.406 20.498 1.558 1.00 0.00 C ATOM 1037 O ASN C 20 10.721 19.482 1.673 1.00 0.00 O ATOM 1038 CB ASN C 20 12.515 19.773 -0.557 1.00 0.00 C ATOM 1039 CG ASN C 20 13.712 20.029 -1.466 1.00 0.00 C ATOM 1040 OD1 ASN C 20 14.471 20.971 -1.243 1.00 0.00 O ATOM 1041 ND2 ASN C 20 13.928 19.239 -2.482 1.00 0.00 N ATOM 0 H ASN C 20 13.845 18.784 1.339 1.00 0.00 H new ATOM 0 HA ASN C 20 13.052 21.497 0.621 1.00 0.00 H new ATOM 0 HB2 ASN C 20 12.386 18.701 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN C 20 11.604 20.139 -1.030 1.00 0.00 H new ATOM 0 HD21 ASN C 20 14.728 19.402 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN C 20 13.297 18.459 -2.664 1.00 0.00 H new ATOM 1048 N ASP C 21 11.058 21.670 2.081 1.00 0.00 N ATOM 1049 CA ASP C 21 9.822 21.823 2.838 1.00 0.00 C ATOM 1050 C ASP C 21 8.612 21.567 1.944 1.00 0.00 C ATOM 1051 O ASP C 21 7.607 21.009 2.383 1.00 0.00 O ATOM 1052 CB ASP C 21 9.738 23.238 3.418 1.00 0.00 C ATOM 1053 CG ASP C 21 8.460 23.394 4.236 1.00 0.00 C ATOM 1054 OD1 ASP C 21 7.663 22.470 4.235 1.00 0.00 O ATOM 1055 OD2 ASP C 21 8.299 24.433 4.853 1.00 0.00 O ATOM 0 H ASP C 21 11.611 22.522 1.995 1.00 0.00 H new ATOM 0 HA ASP C 21 9.822 21.096 3.650 1.00 0.00 H new ATOM 0 HB2 ASP C 21 10.607 23.434 4.046 1.00 0.00 H new ATOM 0 HB3 ASP C 21 9.755 23.971 2.612 1.00 0.00 H new ATOM 1060 N SER C 22 8.718 21.981 0.685 1.00 0.00 N ATOM 1061 CA SER C 22 7.625 21.795 -0.264 1.00 0.00 C ATOM 1062 C SER C 22 7.285 20.314 -0.414 1.00 0.00 C ATOM 1063 O SER C 22 6.115 19.936 -0.427 1.00 0.00 O ATOM 1064 CB SER C 22 8.017 22.371 -1.624 1.00 0.00 C ATOM 1065 OG SER C 22 7.110 21.899 -2.614 1.00 0.00 O ATOM 0 H SER C 22 9.542 22.444 0.300 1.00 0.00 H new ATOM 0 HA SER C 22 6.747 22.317 0.115 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.000 23.460 -1.589 1.00 0.00 H new ATOM 0 HB3 SER C 22 9.035 22.076 -1.877 1.00 0.00 H new ATOM 0 HG SER C 22 7.436 22.151 -3.503 1.00 0.00 H new ATOM 1071 N SER C 23 8.318 19.481 -0.524 1.00 0.00 N ATOM 1072 CA SER C 23 8.126 18.040 -0.669 1.00 0.00 C ATOM 1073 C SER C 23 9.220 17.287 0.084 1.00 0.00 C ATOM 1074 O SER C 23 10.405 17.436 -0.213 1.00 0.00 O ATOM 1075 CB SER C 23 8.162 17.654 -2.148 1.00 0.00 C ATOM 1076 OG SER C 23 7.097 18.305 -2.829 1.00 0.00 O ATOM 0 H SER C 23 9.294 19.778 -0.516 1.00 0.00 H new ATOM 0 HA SER C 23 7.155 17.772 -0.252 1.00 0.00 H new ATOM 0 HB2 SER C 23 9.118 17.939 -2.587 1.00 0.00 H new ATOM 0 HB3 SER C 23 8.071 16.573 -2.256 1.00 0.00 H new ATOM 0 HG SER C 23 7.118 18.061 -3.778 1.00 0.00 H new ATOM 1082 N ASP C 24 8.811 16.486 1.061 1.00 0.00 N ATOM 1083 CA ASP C 24 9.762 15.716 1.859 1.00 0.00 C ATOM 1084 C ASP C 24 10.184 14.445 1.106 1.00 0.00 C ATOM 1085 O ASP C 24 9.411 13.908 0.313 1.00 0.00 O ATOM 1086 CB ASP C 24 9.122 15.336 3.205 1.00 0.00 C ATOM 1087 CG ASP C 24 9.211 16.503 4.186 1.00 0.00 C ATOM 1088 OD1 ASP C 24 9.126 17.636 3.737 1.00 0.00 O ATOM 1089 OD2 ASP C 24 9.365 16.248 5.367 1.00 0.00 O ATOM 0 H ASP C 24 7.834 16.352 1.320 1.00 0.00 H new ATOM 0 HA ASP C 24 10.647 16.327 2.039 1.00 0.00 H new ATOM 0 HB2 ASP C 24 8.079 15.059 3.053 1.00 0.00 H new ATOM 0 HB3 ASP C 24 9.626 14.464 3.621 1.00 0.00 H new ATOM 1094 N PRO C 25 11.382 13.957 1.341 1.00 0.00 N ATOM 1095 CA PRO C 25 11.890 12.722 0.665 1.00 0.00 C ATOM 1096 C PRO C 25 11.110 11.473 1.081 1.00 0.00 C ATOM 1097 O PRO C 25 11.115 10.463 0.378 1.00 0.00 O ATOM 1098 CB PRO C 25 13.364 12.641 1.112 1.00 0.00 C ATOM 1099 CG PRO C 25 13.428 13.413 2.391 1.00 0.00 C ATOM 1100 CD PRO C 25 12.380 14.519 2.269 1.00 0.00 C ATOM 0 HA PRO C 25 11.776 12.769 -0.418 1.00 0.00 H new ATOM 0 HB2 PRO C 25 13.674 11.607 1.260 1.00 0.00 H new ATOM 0 HB3 PRO C 25 14.028 13.068 0.360 1.00 0.00 H new ATOM 0 HG2 PRO C 25 13.219 12.770 3.246 1.00 0.00 H new ATOM 0 HG3 PRO C 25 14.422 13.833 2.544 1.00 0.00 H new ATOM 0 HD2 PRO C 25 11.937 14.759 3.236 1.00 0.00 H new ATOM 0 HD3 PRO C 25 12.814 15.440 1.880 1.00 0.00 H new ATOM 1108 N LEU C 26 10.440 11.549 2.228 1.00 0.00 N ATOM 1109 CA LEU C 26 9.664 10.417 2.725 1.00 0.00 C ATOM 1110 C LEU C 26 8.531 10.082 1.757 1.00 0.00 C ATOM 1111 O LEU C 26 8.256 8.911 1.492 1.00 0.00 O ATOM 1112 CB LEU C 26 9.084 10.753 4.109 1.00 0.00 C ATOM 1113 CG LEU C 26 10.153 10.541 5.187 1.00 0.00 C ATOM 1114 CD1 LEU C 26 11.367 11.422 4.880 1.00 0.00 C ATOM 1115 CD2 LEU C 26 9.580 10.921 6.554 1.00 0.00 C ATOM 0 H LEU C 26 10.419 12.375 2.826 1.00 0.00 H new ATOM 0 HA LEU C 26 10.321 9.551 2.808 1.00 0.00 H new ATOM 0 HB2 LEU C 26 8.737 11.786 4.127 1.00 0.00 H new ATOM 0 HB3 LEU C 26 8.219 10.122 4.313 1.00 0.00 H new ATOM 0 HG LEU C 26 10.457 9.494 5.198 1.00 0.00 H new ATOM 0 HD11 LEU C 26 12.128 11.272 5.646 1.00 0.00 H new ATOM 0 HD12 LEU C 26 11.775 11.153 3.906 1.00 0.00 H new ATOM 0 HD13 LEU C 26 11.064 12.469 4.870 1.00 0.00 H new ATOM 0 HD21 LEU C 26 10.339 10.771 7.321 1.00 0.00 H new ATOM 0 HD22 LEU C 26 9.277 11.968 6.543 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.715 10.295 6.772 1.00 0.00 H new ATOM 1127 N VAL C 27 7.878 11.114 1.236 1.00 0.00 N ATOM 1128 CA VAL C 27 6.776 10.914 0.302 1.00 0.00 C ATOM 1129 C VAL C 27 7.268 10.221 -0.965 1.00 0.00 C ATOM 1130 O VAL C 27 6.635 9.288 -1.460 1.00 0.00 O ATOM 1131 CB VAL C 27 6.146 12.262 -0.056 1.00 0.00 C ATOM 1132 CG1 VAL C 27 5.078 12.062 -1.133 1.00 0.00 C ATOM 1133 CG2 VAL C 27 5.501 12.868 1.194 1.00 0.00 C ATOM 0 H VAL C 27 8.090 12.090 1.442 1.00 0.00 H new ATOM 0 HA VAL C 27 6.027 10.281 0.778 1.00 0.00 H new ATOM 0 HB VAL C 27 6.917 12.933 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL C 27 4.631 13.024 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL C 27 5.535 11.629 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL C 27 4.305 11.390 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL C 27 5.051 13.828 0.942 1.00 0.00 H new ATOM 0 HG22 VAL C 27 4.731 12.194 1.569 1.00 0.00 H new ATOM 0 HG23 VAL C 27 6.261 13.013 1.962 1.00 0.00 H new ATOM 1143 N VAL C 28 8.399 10.686 -1.485 1.00 0.00 N ATOM 1144 CA VAL C 28 8.968 10.105 -2.694 1.00 0.00 C ATOM 1145 C VAL C 28 9.328 8.642 -2.467 1.00 0.00 C ATOM 1146 O VAL C 28 9.046 7.785 -3.302 1.00 0.00 O ATOM 1147 CB VAL C 28 10.218 10.888 -3.110 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.887 10.196 -4.300 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.818 12.310 -3.509 1.00 0.00 C ATOM 0 H VAL C 28 8.936 11.458 -1.091 1.00 0.00 H new ATOM 0 HA VAL C 28 8.225 10.162 -3.489 1.00 0.00 H new ATOM 0 HB VAL C 28 10.916 10.925 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.775 10.755 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.173 9.183 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.190 10.157 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.706 12.868 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.119 12.270 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.344 12.806 -2.662 1.00 0.00 H new ATOM 1159 N ALA C 29 9.959 8.362 -1.329 1.00 0.00 N ATOM 1160 CA ALA C 29 10.355 6.997 -1.005 1.00 0.00 C ATOM 1161 C ALA C 29 9.130 6.096 -0.905 1.00 0.00 C ATOM 1162 O ALA C 29 9.165 4.937 -1.313 1.00 0.00 O ATOM 1163 CB ALA C 29 11.118 6.972 0.322 1.00 0.00 C ATOM 0 H ALA C 29 10.204 9.056 -0.623 1.00 0.00 H new ATOM 0 HA ALA C 29 11.002 6.628 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.409 5.948 0.555 1.00 0.00 H new ATOM 0 HB2 ALA C 29 12.010 7.593 0.241 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.479 7.357 1.117 1.00 0.00 H new ATOM 1169 N ALA C 30 8.047 6.634 -0.356 1.00 0.00 N ATOM 1170 CA ALA C 30 6.822 5.861 -0.206 1.00 0.00 C ATOM 1171 C ALA C 30 6.310 5.392 -1.563 1.00 0.00 C ATOM 1172 O ALA C 30 5.862 4.256 -1.707 1.00 0.00 O ATOM 1173 CB ALA C 30 5.753 6.712 0.479 1.00 0.00 C ATOM 0 H ALA C 30 7.993 7.592 -0.011 1.00 0.00 H new ATOM 0 HA ALA C 30 7.040 4.986 0.406 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.839 6.129 0.589 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.108 7.019 1.463 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.549 7.596 -0.125 1.00 0.00 H new ATOM 1179 N ASN C 31 6.378 6.272 -2.557 1.00 0.00 N ATOM 1180 CA ASN C 31 5.914 5.923 -3.897 1.00 0.00 C ATOM 1181 C ASN C 31 6.763 4.799 -4.486 1.00 0.00 C ATOM 1182 O ASN C 31 6.238 3.862 -5.087 1.00 0.00 O ATOM 1183 CB ASN C 31 5.990 7.148 -4.810 1.00 0.00 C ATOM 1184 CG ASN C 31 4.928 8.165 -4.409 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.989 7.829 -3.687 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.018 9.393 -4.839 1.00 0.00 N ATOM 0 H ASN C 31 6.744 7.219 -2.464 1.00 0.00 H new ATOM 0 HA ASN C 31 4.881 5.583 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.980 7.599 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.844 6.848 -5.848 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.309 10.078 -4.577 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.797 9.668 -5.437 1.00 0.00 H new ATOM 1193 N ILE C 32 8.077 4.899 -4.306 1.00 0.00 N ATOM 1194 CA ILE C 32 8.989 3.884 -4.824 1.00 0.00 C ATOM 1195 C ILE C 32 8.765 2.551 -4.115 1.00 0.00 C ATOM 1196 O ILE C 32 8.737 1.495 -4.749 1.00 0.00 O ATOM 1197 CB ILE C 32 10.440 4.340 -4.633 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.709 5.553 -5.528 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.393 3.205 -5.022 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.050 6.182 -5.149 1.00 0.00 C ATOM 0 H ILE C 32 8.531 5.666 -3.810 1.00 0.00 H new ATOM 0 HA ILE C 32 8.792 3.749 -5.888 1.00 0.00 H new ATOM 0 HB ILE C 32 10.602 4.607 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.721 5.250 -6.575 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.908 6.284 -5.417 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.424 3.532 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.201 2.337 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.233 2.937 -6.066 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.240 7.045 -5.787 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.021 6.500 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.846 5.450 -5.283 1.00 0.00 H new ATOM 1212 N ILE C 33 8.610 2.609 -2.797 1.00 0.00 N ATOM 1213 CA ILE C 33 8.395 1.404 -2.003 1.00 0.00 C ATOM 1214 C ILE C 33 7.083 0.730 -2.396 1.00 0.00 C ATOM 1215 O ILE C 33 7.025 -0.493 -2.537 1.00 0.00 O ATOM 1216 CB ILE C 33 8.373 1.767 -0.514 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.773 2.211 -0.078 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.955 0.547 0.312 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.687 2.898 1.286 1.00 0.00 C ATOM 0 H ILE C 33 8.629 3.474 -2.257 1.00 0.00 H new ATOM 0 HA ILE C 33 9.211 0.707 -2.194 1.00 0.00 H new ATOM 0 HB ILE C 33 7.660 2.576 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.439 1.350 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.196 2.894 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.941 0.811 1.369 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.960 0.224 0.006 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.666 -0.263 0.150 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.682 3.214 1.597 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.035 3.769 1.214 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.282 2.201 2.020 1.00 0.00 H new ATOM 1231 N GLY C 34 6.035 1.526 -2.572 1.00 0.00 N ATOM 1232 CA GLY C 34 4.736 0.980 -2.946 1.00 0.00 C ATOM 1233 C GLY C 34 4.813 0.261 -4.289 1.00 0.00 C ATOM 1234 O GLY C 34 4.285 -0.841 -4.445 1.00 0.00 O ATOM 0 H GLY C 34 6.058 2.540 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.394 0.287 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.002 1.784 -3.001 1.00 0.00 H new ATOM 1238 N ILE C 35 5.479 0.886 -5.253 1.00 0.00 N ATOM 1239 CA ILE C 35 5.625 0.291 -6.577 1.00 0.00 C ATOM 1240 C ILE C 35 6.439 -0.999 -6.492 1.00 0.00 C ATOM 1241 O ILE C 35 6.100 -2.004 -7.119 1.00 0.00 O ATOM 1242 CB ILE C 35 6.306 1.284 -7.529 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.366 2.467 -7.783 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.616 0.591 -8.859 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.122 3.583 -8.508 1.00 0.00 C ATOM 0 H ILE C 35 5.924 1.798 -5.145 1.00 0.00 H new ATOM 0 HA ILE C 35 4.634 0.053 -6.965 1.00 0.00 H new ATOM 0 HB ILE C 35 7.233 1.639 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.514 2.144 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.970 2.838 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.099 1.298 -9.533 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.281 -0.255 -8.682 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.689 0.236 -9.309 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.449 4.422 -8.686 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.960 3.914 -7.894 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.496 3.209 -9.461 1.00 0.00 H new ATOM 1257 N LEU C 36 7.516 -0.964 -5.714 1.00 0.00 N ATOM 1258 CA LEU C 36 8.371 -2.133 -5.554 1.00 0.00 C ATOM 1259 C LEU C 36 7.585 -3.286 -4.948 1.00 0.00 C ATOM 1260 O LEU C 36 7.748 -4.440 -5.347 1.00 0.00 O ATOM 1261 CB LEU C 36 9.571 -1.792 -4.658 1.00 0.00 C ATOM 1262 CG LEU C 36 10.431 -3.043 -4.407 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.876 -3.663 -5.740 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.666 -2.641 -3.596 1.00 0.00 C ATOM 0 H LEU C 36 7.816 -0.143 -5.187 1.00 0.00 H new ATOM 0 HA LEU C 36 8.734 -2.433 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.175 -1.017 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.220 -1.389 -3.708 1.00 0.00 H new ATOM 0 HG LEU C 36 9.843 -3.779 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.483 -4.547 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.998 -3.947 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.463 -2.936 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.283 -3.521 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.243 -1.903 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.353 -2.213 -2.644 1.00 0.00 H new ATOM 1276 N HIS C 37 6.734 -2.970 -3.982 1.00 0.00 N ATOM 1277 CA HIS C 37 5.932 -3.994 -3.333 1.00 0.00 C ATOM 1278 C HIS C 37 5.084 -4.721 -4.368 1.00 0.00 C ATOM 1279 O HIS C 37 4.944 -5.943 -4.320 1.00 0.00 O ATOM 1280 CB HIS C 37 5.016 -3.368 -2.283 1.00 0.00 C ATOM 1281 CG HIS C 37 4.230 -4.457 -1.611 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.352 -4.734 -0.261 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.322 -5.366 -2.095 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.542 -5.769 0.015 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.891 -6.192 -1.068 1.00 0.00 N ATOM 0 H HIS C 37 6.583 -2.023 -3.634 1.00 0.00 H new ATOM 0 HA HIS C 37 6.603 -4.701 -2.846 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.605 -2.820 -1.548 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.342 -2.650 -2.751 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.993 -5.428 -3.122 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.432 -6.206 0.996 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.220 -6.958 -1.128 1.00 0.00 H new ATOM 1293 N LEU C 38 4.516 -3.964 -5.299 1.00 0.00 N ATOM 1294 CA LEU C 38 3.676 -4.555 -6.336 1.00 0.00 C ATOM 1295 C LEU C 38 4.468 -5.543 -7.186 1.00 0.00 C ATOM 1296 O LEU C 38 3.955 -6.594 -7.553 1.00 0.00 O ATOM 1297 CB LEU C 38 3.075 -3.446 -7.232 1.00 0.00 C ATOM 1298 CG LEU C 38 1.729 -2.957 -6.653 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.407 -1.559 -7.186 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.597 -3.918 -7.058 1.00 0.00 C ATOM 0 H LEU C 38 4.619 -2.951 -5.359 1.00 0.00 H new ATOM 0 HA LEU C 38 2.867 -5.098 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.772 -2.611 -7.305 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.927 -3.827 -8.243 1.00 0.00 H new ATOM 0 HG LEU C 38 1.811 -2.927 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.456 -1.222 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.196 -0.867 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.339 -1.591 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.347 -3.563 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.525 -3.958 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.810 -4.915 -6.672 1.00 0.00 H new ATOM 1312 N ILE C 39 5.706 -5.214 -7.507 1.00 0.00 N ATOM 1313 CA ILE C 39 6.499 -6.114 -8.326 1.00 0.00 C ATOM 1314 C ILE C 39 6.619 -7.481 -7.653 1.00 0.00 C ATOM 1315 O ILE C 39 6.353 -8.512 -8.274 1.00 0.00 O ATOM 1316 CB ILE C 39 7.891 -5.518 -8.546 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.747 -4.146 -9.211 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.715 -6.442 -9.445 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.110 -3.450 -9.278 1.00 0.00 C ATOM 0 H ILE C 39 6.175 -4.354 -7.223 1.00 0.00 H new ATOM 0 HA ILE C 39 6.004 -6.242 -9.289 1.00 0.00 H new ATOM 0 HB ILE C 39 8.399 -5.412 -7.587 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.338 -4.261 -10.215 1.00 0.00 H new ATOM 0 HG13 ILE C 39 7.043 -3.532 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.705 -6.013 -9.598 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.812 -7.419 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.215 -6.554 -10.407 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.998 -2.475 -9.752 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.502 -3.320 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.801 -4.059 -9.860 1.00 0.00 H new ATOM 1331 N LEU C 40 7.011 -7.486 -6.385 1.00 0.00 N ATOM 1332 CA LEU C 40 7.152 -8.740 -5.648 1.00 0.00 C ATOM 1333 C LEU C 40 5.793 -9.405 -5.402 1.00 0.00 C ATOM 1334 O LEU C 40 5.653 -10.617 -5.564 1.00 0.00 O ATOM 1335 CB LEU C 40 7.854 -8.473 -4.309 1.00 0.00 C ATOM 1336 CG LEU C 40 9.374 -8.333 -4.528 1.00 0.00 C ATOM 1337 CD1 LEU C 40 10.001 -9.691 -4.923 1.00 0.00 C ATOM 1338 CD2 LEU C 40 9.632 -7.298 -5.633 1.00 0.00 C ATOM 0 H LEU C 40 7.235 -6.648 -5.849 1.00 0.00 H new ATOM 0 HA LEU C 40 7.752 -9.422 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.458 -7.564 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.652 -9.288 -3.614 1.00 0.00 H new ATOM 0 HG LEU C 40 9.835 -8.004 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.074 -9.567 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.827 -10.417 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.545 -10.047 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.705 -7.195 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.158 -7.627 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.216 -6.336 -5.335 1.00 0.00 H new ATOM 1350 N TRP C 41 4.802 -8.611 -5.005 1.00 0.00 N ATOM 1351 CA TRP C 41 3.469 -9.145 -4.732 1.00 0.00 C ATOM 1352 C TRP C 41 2.825 -9.685 -6.008 1.00 0.00 C ATOM 1353 O TRP C 41 2.131 -10.699 -5.978 1.00 0.00 O ATOM 1354 CB TRP C 41 2.587 -8.075 -4.079 1.00 0.00 C ATOM 1355 CG TRP C 41 1.186 -8.585 -3.925 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.734 -9.347 -2.900 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.038 -8.339 -4.779 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.609 -9.610 -3.096 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.083 -9.000 -4.239 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.130 -7.612 -5.964 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.328 -8.942 -4.856 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.385 -7.546 -6.585 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.482 -8.210 -6.032 1.00 0.00 C ATOM 0 H TRP C 41 4.894 -7.605 -4.866 1.00 0.00 H new ATOM 0 HA TRP C 41 3.569 -9.976 -4.034 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.993 -7.804 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.588 -7.171 -4.688 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.326 -9.693 -2.066 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.178 -10.183 -2.473 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.713 -7.099 -6.402 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.171 -9.462 -4.426 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.504 -6.979 -7.496 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.447 -8.156 -6.514 1.00 0.00 H new ATOM 1374 N ILE C 42 3.059 -9.003 -7.123 1.00 0.00 N ATOM 1375 CA ILE C 42 2.494 -9.436 -8.396 1.00 0.00 C ATOM 1376 C ILE C 42 3.009 -10.829 -8.749 1.00 0.00 C ATOM 1377 O ILE C 42 2.241 -11.683 -9.167 1.00 0.00 O ATOM 1378 CB ILE C 42 2.873 -8.436 -9.513 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.966 -7.197 -9.431 1.00 0.00 C ATOM 1380 CG2 ILE C 42 2.716 -9.088 -10.899 1.00 0.00 C ATOM 1381 CD1 ILE C 42 2.605 -6.038 -10.201 1.00 0.00 C ATOM 0 H ILE C 42 3.629 -8.158 -7.173 1.00 0.00 H new ATOM 0 HA ILE C 42 1.408 -9.471 -8.306 1.00 0.00 H new ATOM 0 HB ILE C 42 3.914 -8.142 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE C 42 0.984 -7.425 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.814 -6.914 -8.389 1.00 0.00 H new ATOM 0 HG21 ILE C 42 2.987 -8.369 -11.672 1.00 0.00 H new ATOM 0 HG22 ILE C 42 3.369 -9.958 -10.968 1.00 0.00 H new ATOM 0 HG23 ILE C 42 1.681 -9.399 -11.040 1.00 0.00 H new ATOM 0 HD11 ILE C 42 1.960 -5.162 -10.141 1.00 0.00 H new ATOM 0 HD12 ILE C 42 3.577 -5.804 -9.766 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.734 -6.322 -11.245 1.00 0.00 H new ATOM 1393 N LEU C 43 4.310 -11.043 -8.584 1.00 0.00 N ATOM 1394 CA LEU C 43 4.908 -12.336 -8.911 1.00 0.00 C ATOM 1395 C LEU C 43 4.287 -13.447 -8.066 1.00 0.00 C ATOM 1396 O LEU C 43 3.995 -14.530 -8.572 1.00 0.00 O ATOM 1397 CB LEU C 43 6.418 -12.284 -8.659 1.00 0.00 C ATOM 1398 CG LEU C 43 7.090 -11.341 -9.673 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.518 -11.042 -9.207 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.129 -11.982 -11.075 1.00 0.00 C ATOM 0 H LEU C 43 4.966 -10.347 -8.230 1.00 0.00 H new ATOM 0 HA LEU C 43 4.718 -12.550 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.614 -11.938 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.843 -13.284 -8.743 1.00 0.00 H new ATOM 0 HG LEU C 43 6.513 -10.418 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.001 -10.374 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.489 -10.566 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.082 -11.973 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.608 -11.297 -11.775 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.694 -12.913 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.112 -12.189 -11.409 1.00 0.00 H new ATOM 1412 N ASP C 44 4.083 -13.171 -6.785 1.00 0.00 N ATOM 1413 CA ASP C 44 3.490 -14.155 -5.886 1.00 0.00 C ATOM 1414 C ASP C 44 2.067 -14.492 -6.327 1.00 0.00 C ATOM 1415 O ASP C 44 1.591 -15.609 -6.119 1.00 0.00 O ATOM 1416 CB ASP C 44 3.470 -13.614 -4.453 1.00 0.00 C ATOM 1417 CG ASP C 44 2.828 -14.637 -3.521 1.00 0.00 C ATOM 1418 OD1 ASP C 44 2.625 -15.759 -3.954 1.00 0.00 O ATOM 1419 OD2 ASP C 44 2.551 -14.284 -2.387 1.00 0.00 O ATOM 0 H ASP C 44 4.317 -12.281 -6.346 1.00 0.00 H new ATOM 0 HA ASP C 44 4.094 -15.061 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP C 44 4.486 -13.396 -4.123 1.00 0.00 H new ATOM 0 HB3 ASP C 44 2.915 -12.677 -4.416 1.00 0.00 H new ATOM 1424 N ARG C 45 1.389 -13.515 -6.923 1.00 0.00 N ATOM 1425 CA ARG C 45 0.013 -13.707 -7.376 1.00 0.00 C ATOM 1426 C ARG C 45 -0.073 -14.867 -8.370 1.00 0.00 C ATOM 1427 O ARG C 45 -1.027 -15.643 -8.349 1.00 0.00 O ATOM 1428 CB ARG C 45 -0.509 -12.416 -8.031 1.00 0.00 C ATOM 1429 CG ARG C 45 -2.040 -12.362 -7.939 1.00 0.00 C ATOM 1430 CD ARG C 45 -2.558 -11.114 -8.660 1.00 0.00 C ATOM 1431 NE ARG C 45 -3.976 -10.917 -8.369 1.00 0.00 N ATOM 1432 CZ ARG C 45 -4.904 -11.730 -8.864 1.00 0.00 C ATOM 1433 NH1 ARG C 45 -4.562 -12.729 -9.629 1.00 0.00 N ATOM 1434 NH2 ARG C 45 -6.163 -11.529 -8.581 1.00 0.00 N ATOM 0 H ARG C 45 1.768 -12.585 -7.103 1.00 0.00 H new ATOM 0 HA ARG C 45 -0.605 -13.947 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG C 45 -0.076 -11.547 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG C 45 -0.198 -12.377 -9.075 1.00 0.00 H new ATOM 0 HG2 ARG C 45 -2.472 -13.257 -8.386 1.00 0.00 H new ATOM 0 HG3 ARG C 45 -2.351 -12.345 -6.894 1.00 0.00 H new ATOM 0 HD2 ARG C 45 -1.989 -10.240 -8.344 1.00 0.00 H new ATOM 0 HD3 ARG C 45 -2.411 -11.218 -9.735 1.00 0.00 H new ATOM 0 HE ARG C 45 -4.260 -10.139 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG C 45 -3.579 -12.889 -9.850 1.00 0.00 H new ATOM 0 HH12 ARG C 45 -5.277 -13.350 -10.007 1.00 0.00 H new ATOM 0 HH21 ARG C 45 -6.433 -10.749 -7.981 1.00 0.00 H new ATOM 0 HH22 ARG C 45 -6.877 -12.152 -8.960 1.00 0.00 H new ATOM 1448 N LEU C 46 0.926 -14.974 -9.243 1.00 0.00 N ATOM 1449 CA LEU C 46 0.943 -16.039 -10.242 1.00 0.00 C ATOM 1450 C LEU C 46 0.967 -17.407 -9.562 1.00 0.00 C ATOM 1451 O LEU C 46 0.279 -18.334 -9.991 1.00 0.00 O ATOM 1452 CB LEU C 46 2.183 -15.891 -11.141 1.00 0.00 C ATOM 1453 CG LEU C 46 1.942 -14.822 -12.224 1.00 0.00 C ATOM 1454 CD1 LEU C 46 0.908 -15.306 -13.257 1.00 0.00 C ATOM 1455 CD2 LEU C 46 1.450 -13.536 -11.561 1.00 0.00 C ATOM 0 H LEU C 46 1.727 -14.343 -9.279 1.00 0.00 H new ATOM 0 HA LEU C 46 0.041 -15.961 -10.849 1.00 0.00 H new ATOM 0 HB2 LEU C 46 3.047 -15.615 -10.536 1.00 0.00 H new ATOM 0 HB3 LEU C 46 2.415 -16.847 -11.611 1.00 0.00 H new ATOM 0 HG LEU C 46 2.880 -14.635 -12.746 1.00 0.00 H new ATOM 0 HD11 LEU C 46 0.757 -14.533 -14.010 1.00 0.00 H new ATOM 0 HD12 LEU C 46 1.272 -16.214 -13.738 1.00 0.00 H new ATOM 0 HD13 LEU C 46 -0.037 -15.514 -12.756 1.00 0.00 H new ATOM 0 HD21 LEU C 46 1.278 -12.776 -12.323 1.00 0.00 H new ATOM 0 HD22 LEU C 46 0.519 -13.734 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU C 46 2.201 -13.179 -10.857 1.00 0.00 H new ATOM 1467 N PHE C 47 1.761 -17.525 -8.505 1.00 0.00 N ATOM 1468 CA PHE C 47 1.868 -18.783 -7.773 1.00 0.00 C ATOM 1469 C PHE C 47 0.712 -18.928 -6.788 1.00 0.00 C ATOM 1470 O PHE C 47 0.524 -19.986 -6.189 1.00 0.00 O ATOM 1471 CB PHE C 47 3.199 -18.828 -7.021 1.00 0.00 C ATOM 1472 CG PHE C 47 4.329 -18.925 -8.020 1.00 0.00 C ATOM 1473 CD1 PHE C 47 4.633 -17.827 -8.835 1.00 0.00 C ATOM 1474 CD2 PHE C 47 5.064 -20.112 -8.147 1.00 0.00 C ATOM 1475 CE1 PHE C 47 5.668 -17.912 -9.770 1.00 0.00 C ATOM 1476 CE2 PHE C 47 6.101 -20.197 -9.083 1.00 0.00 C ATOM 1477 CZ PHE C 47 6.403 -19.097 -9.897 1.00 0.00 C ATOM 0 H PHE C 47 2.338 -16.769 -8.136 1.00 0.00 H new ATOM 0 HA PHE C 47 1.824 -19.608 -8.484 1.00 0.00 H new ATOM 0 HB2 PHE C 47 3.315 -17.934 -6.408 1.00 0.00 H new ATOM 0 HB3 PHE C 47 3.220 -19.683 -6.345 1.00 0.00 H new ATOM 0 HD1 PHE C 47 4.066 -16.913 -8.740 1.00 0.00 H new ATOM 0 HD2 PHE C 47 4.830 -20.961 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE C 47 5.901 -17.063 -10.395 1.00 0.00 H new ATOM 0 HE2 PHE C 47 6.669 -21.111 -9.178 1.00 0.00 H new ATOM 0 HZ PHE C 47 7.201 -19.163 -10.621 1.00 0.00 H new ATOM 1487 N PHE C 48 -0.059 -17.854 -6.629 1.00 0.00 N ATOM 1488 CA PHE C 48 -1.199 -17.865 -5.717 1.00 0.00 C ATOM 1489 C PHE C 48 -2.251 -16.851 -6.158 1.00 0.00 C ATOM 1490 O PHE C 48 -2.144 -15.663 -5.860 1.00 0.00 O ATOM 1491 CB PHE C 48 -0.734 -17.539 -4.297 1.00 0.00 C ATOM 1492 CG PHE C 48 0.065 -18.697 -3.752 1.00 0.00 C ATOM 1493 CD1 PHE C 48 -0.581 -19.725 -3.054 1.00 0.00 C ATOM 1494 CD2 PHE C 48 1.450 -18.747 -3.946 1.00 0.00 C ATOM 1495 CE1 PHE C 48 0.157 -20.802 -2.552 1.00 0.00 C ATOM 1496 CE2 PHE C 48 2.189 -19.824 -3.441 1.00 0.00 C ATOM 1497 CZ PHE C 48 1.543 -20.851 -2.743 1.00 0.00 C ATOM 0 H PHE C 48 0.084 -16.970 -7.117 1.00 0.00 H new ATOM 0 HA PHE C 48 -1.644 -18.860 -5.734 1.00 0.00 H new ATOM 0 HB2 PHE C 48 -0.127 -16.634 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE C 48 -1.594 -17.343 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE C 48 -1.650 -19.686 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE C 48 1.949 -17.955 -4.485 1.00 0.00 H new ATOM 0 HE1 PHE C 48 -0.343 -21.596 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE C 48 3.258 -19.862 -3.590 1.00 0.00 H new ATOM 0 HZ PHE C 48 2.113 -21.681 -2.352 1.00 0.00 H new ATOM 1507 N LYS C 49 -3.273 -17.331 -6.866 1.00 0.00 N ATOM 1508 CA LYS C 49 -4.343 -16.459 -7.338 1.00 0.00 C ATOM 1509 C LYS C 49 -5.383 -16.252 -6.242 1.00 0.00 C ATOM 1510 O LYS C 49 -6.481 -15.834 -6.568 1.00 0.00 O ATOM 1511 CB LYS C 49 -5.012 -17.072 -8.571 1.00 0.00 C ATOM 1512 CG LYS C 49 -5.427 -18.515 -8.265 1.00 0.00 C ATOM 1513 CD LYS C 49 -6.310 -19.056 -9.396 1.00 0.00 C ATOM 1514 CE LYS C 49 -5.489 -19.205 -10.679 1.00 0.00 C ATOM 1515 NZ LYS C 49 -6.226 -20.079 -11.637 1.00 0.00 N ATOM 1516 OXT LYS C 49 -5.066 -16.514 -5.094 1.00 0.00 O ATOM 0 H LYS C 49 -3.381 -18.312 -7.123 1.00 0.00 H new ATOM 0 HA LYS C 49 -3.912 -15.494 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS C 49 -5.885 -16.484 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS C 49 -4.326 -17.052 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS C 49 -4.542 -19.141 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS C 49 -5.968 -18.554 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS C 49 -6.730 -20.020 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS C 49 -7.148 -18.381 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS C 49 -5.310 -18.227 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS C 49 -4.514 -19.636 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 -5.671 -20.182 -12.510 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 -6.375 -21.015 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 -7.147 -19.650 -11.861 1.00 0.00 H new TER 1530 LYS C 49 ATOM 1531 N SER D 19 -2.183 22.882 12.948 1.00 0.00 N ATOM 1532 CA SER D 19 -1.230 21.863 12.422 1.00 0.00 C ATOM 1533 C SER D 19 -0.426 22.468 11.277 1.00 0.00 C ATOM 1534 O SER D 19 -0.559 23.652 10.971 1.00 0.00 O ATOM 1535 CB SER D 19 -2.012 20.646 11.926 1.00 0.00 C ATOM 1536 OG SER D 19 -2.854 21.037 10.850 1.00 0.00 O ATOM 0 HA SER D 19 -0.548 21.552 13.213 1.00 0.00 H new ATOM 0 HB2 SER D 19 -1.325 19.865 11.600 1.00 0.00 H new ATOM 0 HB3 SER D 19 -2.609 20.227 12.736 1.00 0.00 H new ATOM 0 HG SER D 19 -3.241 21.917 11.040 1.00 0.00 H new ATOM 1544 N ASN D 20 0.407 21.645 10.646 1.00 0.00 N ATOM 1545 CA ASN D 20 1.231 22.106 9.530 1.00 0.00 C ATOM 1546 C ASN D 20 0.459 22.010 8.218 1.00 0.00 C ATOM 1547 O ASN D 20 0.245 20.919 7.690 1.00 0.00 O ATOM 1548 CB ASN D 20 2.503 21.261 9.440 1.00 0.00 C ATOM 1549 CG ASN D 20 3.440 21.605 10.592 1.00 0.00 C ATOM 1550 OD1 ASN D 20 3.311 22.666 11.203 1.00 0.00 O ATOM 1551 ND2 ASN D 20 4.380 20.765 10.930 1.00 0.00 N ATOM 0 H ASN D 20 0.530 20.661 10.886 1.00 0.00 H new ATOM 0 HA ASN D 20 1.498 23.148 9.704 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.249 20.202 9.471 1.00 0.00 H new ATOM 0 HB3 ASN D 20 3.002 21.441 8.488 1.00 0.00 H new ATOM 0 HD21 ASN D 20 5.009 20.987 11.701 1.00 0.00 H new ATOM 0 HD22 ASN D 20 4.485 19.886 10.423 1.00 0.00 H new ATOM 1558 N ASP D 21 0.045 23.160 7.698 1.00 0.00 N ATOM 1559 CA ASP D 21 -0.702 23.199 6.445 1.00 0.00 C ATOM 1560 C ASP D 21 0.158 22.684 5.295 1.00 0.00 C ATOM 1561 O ASP D 21 -0.339 22.027 4.380 1.00 0.00 O ATOM 1562 CB ASP D 21 -1.148 24.633 6.151 1.00 0.00 C ATOM 1563 CG ASP D 21 -1.955 24.676 4.857 1.00 0.00 C ATOM 1564 OD1 ASP D 21 -2.046 23.650 4.204 1.00 0.00 O ATOM 1565 OD2 ASP D 21 -2.473 25.733 4.540 1.00 0.00 O ATOM 0 H ASP D 21 0.212 24.073 8.121 1.00 0.00 H new ATOM 0 HA ASP D 21 -1.579 22.559 6.543 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.750 25.011 6.977 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -0.277 25.283 6.067 1.00 0.00 H new ATOM 1570 N SER D 22 1.450 22.991 5.347 1.00 0.00 N ATOM 1571 CA SER D 22 2.371 22.558 4.302 1.00 0.00 C ATOM 1572 C SER D 22 2.381 21.037 4.186 1.00 0.00 C ATOM 1573 O SER D 22 2.351 20.491 3.083 1.00 0.00 O ATOM 1574 CB SER D 22 3.781 23.055 4.615 1.00 0.00 C ATOM 1575 OG SER D 22 4.717 22.365 3.796 1.00 0.00 O ATOM 0 H SER D 22 1.881 23.534 6.095 1.00 0.00 H new ATOM 0 HA SER D 22 2.036 22.979 3.354 1.00 0.00 H new ATOM 0 HB2 SER D 22 3.848 24.128 4.438 1.00 0.00 H new ATOM 0 HB3 SER D 22 4.011 22.891 5.668 1.00 0.00 H new ATOM 0 HG SER D 22 5.623 22.514 4.138 1.00 0.00 H new ATOM 1581 N SER D 23 2.418 20.358 5.329 1.00 0.00 N ATOM 1582 CA SER D 23 2.427 18.896 5.353 1.00 0.00 C ATOM 1583 C SER D 23 1.613 18.389 6.540 1.00 0.00 C ATOM 1584 O SER D 23 1.930 18.681 7.692 1.00 0.00 O ATOM 1585 CB SER D 23 3.863 18.385 5.458 1.00 0.00 C ATOM 1586 OG SER D 23 4.595 18.808 4.313 1.00 0.00 O ATOM 0 H SER D 23 2.442 20.795 6.250 1.00 0.00 H new ATOM 0 HA SER D 23 1.982 18.525 4.430 1.00 0.00 H new ATOM 0 HB2 SER D 23 4.332 18.766 6.365 1.00 0.00 H new ATOM 0 HB3 SER D 23 3.870 17.297 5.528 1.00 0.00 H new ATOM 0 HG SER D 23 5.518 18.484 4.376 1.00 0.00 H new ATOM 1592 N ASP D 24 0.564 17.629 6.247 1.00 0.00 N ATOM 1593 CA ASP D 24 -0.297 17.085 7.296 1.00 0.00 C ATOM 1594 C ASP D 24 0.337 15.828 7.906 1.00 0.00 C ATOM 1595 O ASP D 24 1.073 15.109 7.228 1.00 0.00 O ATOM 1596 CB ASP D 24 -1.677 16.742 6.709 1.00 0.00 C ATOM 1597 CG ASP D 24 -2.543 17.997 6.617 1.00 0.00 C ATOM 1598 OD1 ASP D 24 -1.992 19.056 6.371 1.00 0.00 O ATOM 1599 OD2 ASP D 24 -3.744 17.877 6.800 1.00 0.00 O ATOM 0 H ASP D 24 0.288 17.375 5.298 1.00 0.00 H new ATOM 0 HA ASP D 24 -0.414 17.834 8.080 1.00 0.00 H new ATOM 0 HB2 ASP D 24 -1.559 16.301 5.719 1.00 0.00 H new ATOM 0 HB3 ASP D 24 -2.170 15.997 7.334 1.00 0.00 H new ATOM 1604 N PRO D 25 0.065 15.544 9.161 1.00 0.00 N ATOM 1605 CA PRO D 25 0.626 14.341 9.853 1.00 0.00 C ATOM 1606 C PRO D 25 0.091 13.035 9.260 1.00 0.00 C ATOM 1607 O PRO D 25 0.697 11.976 9.422 1.00 0.00 O ATOM 1608 CB PRO D 25 0.184 14.520 11.318 1.00 0.00 C ATOM 1609 CG PRO D 25 -1.018 15.411 11.258 1.00 0.00 C ATOM 1610 CD PRO D 25 -0.801 16.332 10.058 1.00 0.00 C ATOM 0 HA PRO D 25 1.708 14.270 9.745 1.00 0.00 H new ATOM 0 HB2 PRO D 25 -0.059 13.561 11.776 1.00 0.00 H new ATOM 0 HB3 PRO D 25 0.977 14.968 11.917 1.00 0.00 H new ATOM 0 HG2 PRO D 25 -1.931 14.827 11.141 1.00 0.00 H new ATOM 0 HG3 PRO D 25 -1.123 15.987 12.178 1.00 0.00 H new ATOM 0 HD2 PRO D 25 -1.744 16.591 9.577 1.00 0.00 H new ATOM 0 HD3 PRO D 25 -0.326 17.268 10.353 1.00 0.00 H new ATOM 1618 N LEU D 26 -1.048 13.118 8.579 1.00 0.00 N ATOM 1619 CA LEU D 26 -1.653 11.935 7.974 1.00 0.00 C ATOM 1620 C LEU D 26 -0.727 11.346 6.910 1.00 0.00 C ATOM 1621 O LEU D 26 -0.573 10.128 6.814 1.00 0.00 O ATOM 1622 CB LEU D 26 -3.003 12.309 7.341 1.00 0.00 C ATOM 1623 CG LEU D 26 -4.089 12.359 8.421 1.00 0.00 C ATOM 1624 CD1 LEU D 26 -3.694 13.376 9.494 1.00 0.00 C ATOM 1625 CD2 LEU D 26 -5.419 12.776 7.788 1.00 0.00 C ATOM 0 H LEU D 26 -1.567 13.984 8.433 1.00 0.00 H new ATOM 0 HA LEU D 26 -1.812 11.187 8.750 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -2.926 13.277 6.845 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -3.271 11.579 6.577 1.00 0.00 H new ATOM 0 HG LEU D 26 -4.196 11.374 8.875 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -4.466 13.412 10.263 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -2.747 13.080 9.945 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -3.588 14.361 9.040 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -6.192 12.812 8.556 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -5.313 13.761 7.334 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -5.701 12.052 7.023 1.00 0.00 H new ATOM 1637 N VAL D 27 -0.116 12.215 6.114 1.00 0.00 N ATOM 1638 CA VAL D 27 0.788 11.769 5.060 1.00 0.00 C ATOM 1639 C VAL D 27 1.988 11.041 5.660 1.00 0.00 C ATOM 1640 O VAL D 27 2.392 9.983 5.177 1.00 0.00 O ATOM 1641 CB VAL D 27 1.267 12.967 4.236 1.00 0.00 C ATOM 1642 CG1 VAL D 27 2.308 12.509 3.213 1.00 0.00 C ATOM 1643 CG2 VAL D 27 0.074 13.588 3.505 1.00 0.00 C ATOM 0 H VAL D 27 -0.229 13.227 6.177 1.00 0.00 H new ATOM 0 HA VAL D 27 0.248 11.081 4.410 1.00 0.00 H new ATOM 0 HB VAL D 27 1.717 13.705 4.900 1.00 0.00 H new ATOM 0 HG11 VAL D 27 2.646 13.365 2.629 1.00 0.00 H new ATOM 0 HG12 VAL D 27 3.158 12.066 3.732 1.00 0.00 H new ATOM 0 HG13 VAL D 27 1.863 11.769 2.548 1.00 0.00 H new ATOM 0 HG21 VAL D 27 0.412 14.442 2.917 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -0.374 12.846 2.844 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -0.667 13.919 4.233 1.00 0.00 H new ATOM 1653 N VAL D 28 2.556 11.620 6.714 1.00 0.00 N ATOM 1654 CA VAL D 28 3.710 11.020 7.373 1.00 0.00 C ATOM 1655 C VAL D 28 3.348 9.653 7.946 1.00 0.00 C ATOM 1656 O VAL D 28 4.099 8.690 7.800 1.00 0.00 O ATOM 1657 CB VAL D 28 4.204 11.936 8.498 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.328 11.242 9.273 1.00 0.00 C ATOM 1659 CG2 VAL D 28 4.731 13.241 7.896 1.00 0.00 C ATOM 0 H VAL D 28 2.239 12.497 7.127 1.00 0.00 H new ATOM 0 HA VAL D 28 4.502 10.893 6.635 1.00 0.00 H new ATOM 0 HB VAL D 28 3.379 12.153 9.176 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.677 11.896 10.072 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.954 10.313 9.702 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.154 11.023 8.597 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.083 13.894 8.695 1.00 0.00 H new ATOM 0 HG22 VAL D 28 5.555 13.022 7.217 1.00 0.00 H new ATOM 0 HG23 VAL D 28 3.931 13.738 7.347 1.00 0.00 H new ATOM 1669 N ALA D 29 2.193 9.577 8.600 1.00 0.00 N ATOM 1670 CA ALA D 29 1.745 8.323 9.190 1.00 0.00 C ATOM 1671 C ALA D 29 1.553 7.262 8.111 1.00 0.00 C ATOM 1672 O ALA D 29 1.853 6.090 8.321 1.00 0.00 O ATOM 1673 CB ALA D 29 0.426 8.532 9.940 1.00 0.00 C ATOM 0 H ALA D 29 1.556 10.362 8.733 1.00 0.00 H new ATOM 0 HA ALA D 29 2.509 7.984 9.890 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.102 7.587 10.376 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.570 9.267 10.732 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.334 8.891 9.246 1.00 0.00 H new ATOM 1679 N ALA D 30 1.050 7.685 6.957 1.00 0.00 N ATOM 1680 CA ALA D 30 0.821 6.757 5.858 1.00 0.00 C ATOM 1681 C ALA D 30 2.125 6.093 5.433 1.00 0.00 C ATOM 1682 O ALA D 30 2.159 4.891 5.161 1.00 0.00 O ATOM 1683 CB ALA D 30 0.214 7.500 4.667 1.00 0.00 C ATOM 0 H ALA D 30 0.796 8.653 6.760 1.00 0.00 H new ATOM 0 HA ALA D 30 0.130 5.986 6.198 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.045 6.800 3.849 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.735 7.948 4.963 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.898 8.283 4.339 1.00 0.00 H new ATOM 1689 N ASN D 31 3.198 6.876 5.376 1.00 0.00 N ATOM 1690 CA ASN D 31 4.494 6.339 4.980 1.00 0.00 C ATOM 1691 C ASN D 31 4.981 5.304 5.990 1.00 0.00 C ATOM 1692 O ASN D 31 5.489 4.248 5.614 1.00 0.00 O ATOM 1693 CB ASN D 31 5.517 7.473 4.881 1.00 0.00 C ATOM 1694 CG ASN D 31 5.202 8.357 3.679 1.00 0.00 C ATOM 1695 OD1 ASN D 31 4.440 7.960 2.799 1.00 0.00 O ATOM 1696 ND2 ASN D 31 5.752 9.537 3.588 1.00 0.00 N ATOM 0 H ASN D 31 3.197 7.872 5.596 1.00 0.00 H new ATOM 0 HA ASN D 31 4.384 5.857 4.009 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.502 8.068 5.794 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.521 7.060 4.786 1.00 0.00 H new ATOM 0 HD21 ASN D 31 5.550 10.133 2.785 1.00 0.00 H new ATOM 0 HD22 ASN D 31 6.383 9.863 4.320 1.00 0.00 H new ATOM 1703 N ILE D 32 4.824 5.614 7.273 1.00 0.00 N ATOM 1704 CA ILE D 32 5.249 4.700 8.332 1.00 0.00 C ATOM 1705 C ILE D 32 4.418 3.420 8.300 1.00 0.00 C ATOM 1706 O ILE D 32 4.950 2.319 8.434 1.00 0.00 O ATOM 1707 CB ILE D 32 5.111 5.381 9.697 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.118 6.532 9.792 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.397 4.367 10.809 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.805 7.384 11.023 1.00 0.00 C ATOM 0 H ILE D 32 4.409 6.484 7.605 1.00 0.00 H new ATOM 0 HA ILE D 32 6.294 4.439 8.167 1.00 0.00 H new ATOM 0 HB ILE D 32 4.098 5.767 9.809 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.132 6.138 9.858 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.072 7.145 8.892 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.298 4.854 11.779 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.686 3.543 10.742 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.410 3.981 10.698 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.521 8.203 11.091 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.797 7.790 10.938 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.873 6.767 11.919 1.00 0.00 H new ATOM 1722 N ILE D 33 3.111 3.579 8.130 1.00 0.00 N ATOM 1723 CA ILE D 33 2.205 2.436 8.090 1.00 0.00 C ATOM 1724 C ILE D 33 2.526 1.540 6.895 1.00 0.00 C ATOM 1725 O ILE D 33 2.552 0.315 7.018 1.00 0.00 O ATOM 1726 CB ILE D 33 0.756 2.927 8.004 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.373 3.613 9.317 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.180 1.742 7.764 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.923 4.401 9.119 1.00 0.00 C ATOM 0 H ILE D 33 2.655 4.485 8.018 1.00 0.00 H new ATOM 0 HA ILE D 33 2.334 1.854 9.002 1.00 0.00 H new ATOM 0 HB ILE D 33 0.665 3.633 7.178 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.243 2.870 10.104 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.172 4.281 9.638 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.209 2.097 7.704 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.089 1.249 6.830 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.088 1.033 8.587 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.198 4.890 10.053 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.776 5.154 8.344 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.720 3.721 8.818 1.00 0.00 H new ATOM 1741 N GLY D 34 2.768 2.151 5.741 1.00 0.00 N ATOM 1742 CA GLY D 34 3.081 1.387 4.537 1.00 0.00 C ATOM 1743 C GLY D 34 4.353 0.564 4.733 1.00 0.00 C ATOM 1744 O GLY D 34 4.402 -0.613 4.375 1.00 0.00 O ATOM 0 H GLY D 34 2.754 3.163 5.613 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.249 0.726 4.293 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.207 2.065 3.693 1.00 0.00 H new ATOM 1748 N ILE D 35 5.376 1.190 5.307 1.00 0.00 N ATOM 1749 CA ILE D 35 6.640 0.502 5.549 1.00 0.00 C ATOM 1750 C ILE D 35 6.439 -0.640 6.544 1.00 0.00 C ATOM 1751 O ILE D 35 6.966 -1.739 6.360 1.00 0.00 O ATOM 1752 CB ILE D 35 7.682 1.490 6.084 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.041 2.493 4.980 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.944 0.730 6.503 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.871 3.636 5.571 1.00 0.00 C ATOM 0 H ILE D 35 5.356 2.163 5.611 1.00 0.00 H new ATOM 0 HA ILE D 35 6.998 0.086 4.607 1.00 0.00 H new ATOM 0 HB ILE D 35 7.273 2.018 6.945 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.602 1.994 4.190 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.133 2.888 4.525 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.684 1.435 6.883 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.694 0.011 7.283 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.354 0.203 5.642 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.124 4.346 4.784 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.294 4.142 6.345 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.786 3.234 6.005 1.00 0.00 H new ATOM 1767 N LEU D 36 5.673 -0.374 7.598 1.00 0.00 N ATOM 1768 CA LEU D 36 5.412 -1.385 8.616 1.00 0.00 C ATOM 1769 C LEU D 36 4.695 -2.579 8.004 1.00 0.00 C ATOM 1770 O LEU D 36 4.987 -3.728 8.337 1.00 0.00 O ATOM 1771 CB LEU D 36 4.558 -0.789 9.745 1.00 0.00 C ATOM 1772 CG LEU D 36 4.196 -1.870 10.777 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.469 -2.540 11.318 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.432 -1.215 11.932 1.00 0.00 C ATOM 0 H LEU D 36 5.225 0.526 7.769 1.00 0.00 H new ATOM 0 HA LEU D 36 6.365 -1.718 9.027 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.103 0.019 10.233 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.648 -0.355 9.330 1.00 0.00 H new ATOM 0 HG LEU D 36 3.577 -2.631 10.301 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.197 -3.303 12.047 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.014 -3.003 10.495 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.100 -1.790 11.795 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.170 -1.972 12.671 1.00 0.00 H new ATOM 0 HD22 LEU D 36 4.059 -0.455 12.398 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.523 -0.751 11.550 1.00 0.00 H new ATOM 1786 N HIS D 37 3.757 -2.304 7.107 1.00 0.00 N ATOM 1787 CA HIS D 37 3.011 -3.370 6.462 1.00 0.00 C ATOM 1788 C HIS D 37 3.967 -4.307 5.736 1.00 0.00 C ATOM 1789 O HIS D 37 3.804 -5.526 5.776 1.00 0.00 O ATOM 1790 CB HIS D 37 2.017 -2.790 5.458 1.00 0.00 C ATOM 1791 CG HIS D 37 1.239 -3.917 4.839 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.129 -4.050 4.999 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.629 -4.987 4.076 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.506 -5.162 4.349 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.526 -5.771 3.767 1.00 0.00 N ATOM 0 H HIS D 37 3.498 -1.362 6.814 1.00 0.00 H new ATOM 0 HA HIS D 37 2.467 -3.923 7.227 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.342 -2.094 5.955 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.544 -2.227 4.687 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.642 -5.190 3.762 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.524 -5.520 4.303 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.509 -6.628 3.214 1.00 0.00 H new ATOM 1803 N LEU D 38 4.963 -3.732 5.072 1.00 0.00 N ATOM 1804 CA LEU D 38 5.936 -4.534 4.335 1.00 0.00 C ATOM 1805 C LEU D 38 6.693 -5.470 5.271 1.00 0.00 C ATOM 1806 O LEU D 38 6.958 -6.615 4.922 1.00 0.00 O ATOM 1807 CB LEU D 38 6.929 -3.614 3.587 1.00 0.00 C ATOM 1808 CG LEU D 38 6.394 -3.277 2.178 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.052 -1.998 1.659 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.708 -4.429 1.205 1.00 0.00 C ATOM 0 H LEU D 38 5.119 -2.725 5.028 1.00 0.00 H new ATOM 0 HA LEU D 38 5.395 -5.141 3.608 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.082 -2.696 4.154 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.899 -4.104 3.507 1.00 0.00 H new ATOM 0 HG LEU D 38 5.315 -3.134 2.243 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.668 -1.769 0.665 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.826 -1.173 2.334 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.132 -2.139 1.607 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.327 -4.182 0.214 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.787 -4.577 1.153 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.233 -5.344 1.559 1.00 0.00 H new ATOM 1822 N ILE D 39 7.052 -4.994 6.449 1.00 0.00 N ATOM 1823 CA ILE D 39 7.789 -5.840 7.373 1.00 0.00 C ATOM 1824 C ILE D 39 6.994 -7.106 7.688 1.00 0.00 C ATOM 1825 O ILE D 39 7.513 -8.217 7.583 1.00 0.00 O ATOM 1826 CB ILE D 39 8.070 -5.067 8.663 1.00 0.00 C ATOM 1827 CG1 ILE D 39 8.859 -3.799 8.323 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.886 -5.939 9.621 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.001 -2.919 9.570 1.00 0.00 C ATOM 0 H ILE D 39 6.853 -4.051 6.784 1.00 0.00 H new ATOM 0 HA ILE D 39 8.733 -6.129 6.910 1.00 0.00 H new ATOM 0 HB ILE D 39 7.128 -4.798 9.142 1.00 0.00 H new ATOM 0 HG12 ILE D 39 9.845 -4.066 7.942 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.351 -3.246 7.533 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.084 -5.385 10.538 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.325 -6.843 9.857 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.831 -6.211 9.150 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.563 -2.020 9.319 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.012 -2.639 9.932 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.529 -3.472 10.347 1.00 0.00 H new ATOM 1841 N LEU D 40 5.732 -6.934 8.067 1.00 0.00 N ATOM 1842 CA LEU D 40 4.883 -8.078 8.386 1.00 0.00 C ATOM 1843 C LEU D 40 4.567 -8.912 7.138 1.00 0.00 C ATOM 1844 O LEU D 40 4.615 -10.142 7.180 1.00 0.00 O ATOM 1845 CB LEU D 40 3.578 -7.587 9.031 1.00 0.00 C ATOM 1846 CG LEU D 40 3.819 -7.247 10.515 1.00 0.00 C ATOM 1847 CD1 LEU D 40 4.089 -8.526 11.338 1.00 0.00 C ATOM 1848 CD2 LEU D 40 5.017 -6.292 10.625 1.00 0.00 C ATOM 0 H LEU D 40 5.278 -6.025 8.160 1.00 0.00 H new ATOM 0 HA LEU D 40 5.424 -8.716 9.085 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.210 -6.707 8.503 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.809 -8.355 8.945 1.00 0.00 H new ATOM 0 HG LEU D 40 2.925 -6.769 10.916 1.00 0.00 H new ATOM 0 HD11 LEU D 40 4.256 -8.259 12.381 1.00 0.00 H new ATOM 0 HD12 LEU D 40 3.229 -9.193 11.267 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.973 -9.031 10.947 1.00 0.00 H new ATOM 0 HD21 LEU D 40 5.193 -6.048 11.673 1.00 0.00 H new ATOM 0 HD22 LEU D 40 5.904 -6.772 10.211 1.00 0.00 H new ATOM 0 HD23 LEU D 40 4.806 -5.378 10.070 1.00 0.00 H new ATOM 1860 N TRP D 41 4.241 -8.239 6.037 1.00 0.00 N ATOM 1861 CA TRP D 41 3.912 -8.939 4.797 1.00 0.00 C ATOM 1862 C TRP D 41 5.127 -9.682 4.248 1.00 0.00 C ATOM 1863 O TRP D 41 4.998 -10.780 3.710 1.00 0.00 O ATOM 1864 CB TRP D 41 3.353 -7.954 3.763 1.00 0.00 C ATOM 1865 CG TRP D 41 3.144 -8.648 2.451 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.050 -9.371 2.111 1.00 0.00 C ATOM 1867 CD2 TRP D 41 4.011 -8.656 1.286 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.212 -9.848 0.823 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.402 -9.424 0.271 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.258 -8.075 1.020 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 4.016 -9.608 -0.965 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.875 -8.253 -0.225 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.253 -9.018 -1.214 1.00 0.00 C ATOM 0 H TRP D 41 4.198 -7.222 5.977 1.00 0.00 H new ATOM 0 HA TRP D 41 3.144 -9.681 5.014 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.410 -7.539 4.118 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.041 -7.119 3.636 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.192 -9.546 2.743 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.535 -10.440 0.341 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.747 -7.485 1.781 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.536 -10.205 -1.726 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.834 -7.797 -0.421 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.732 -9.152 -2.173 1.00 0.00 H new ATOM 1884 N ILE D 42 6.303 -9.081 4.386 1.00 0.00 N ATOM 1885 CA ILE D 42 7.527 -9.707 3.901 1.00 0.00 C ATOM 1886 C ILE D 42 7.750 -11.036 4.620 1.00 0.00 C ATOM 1887 O ILE D 42 8.083 -12.031 3.989 1.00 0.00 O ATOM 1888 CB ILE D 42 8.733 -8.771 4.138 1.00 0.00 C ATOM 1889 CG1 ILE D 42 8.761 -7.677 3.056 1.00 0.00 C ATOM 1890 CG2 ILE D 42 10.051 -9.566 4.088 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.641 -6.514 3.524 1.00 0.00 C ATOM 0 H ILE D 42 6.435 -8.170 4.825 1.00 0.00 H new ATOM 0 HA ILE D 42 7.430 -9.892 2.831 1.00 0.00 H new ATOM 0 HB ILE D 42 8.630 -8.315 5.123 1.00 0.00 H new ATOM 0 HG12 ILE D 42 9.147 -8.085 2.122 1.00 0.00 H new ATOM 0 HG13 ILE D 42 7.750 -7.323 2.856 1.00 0.00 H new ATOM 0 HG21 ILE D 42 10.890 -8.891 4.257 1.00 0.00 H new ATOM 0 HG22 ILE D 42 10.042 -10.334 4.861 1.00 0.00 H new ATOM 0 HG23 ILE D 42 10.155 -10.037 3.110 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.660 -5.740 2.757 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.236 -6.100 4.447 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.655 -6.873 3.702 1.00 0.00 H new ATOM 1903 N LEU D 43 7.575 -11.040 5.937 1.00 0.00 N ATOM 1904 CA LEU D 43 7.784 -12.256 6.721 1.00 0.00 C ATOM 1905 C LEU D 43 6.835 -13.360 6.266 1.00 0.00 C ATOM 1906 O LEU D 43 7.235 -14.519 6.147 1.00 0.00 O ATOM 1907 CB LEU D 43 7.548 -11.955 8.204 1.00 0.00 C ATOM 1908 CG LEU D 43 8.646 -11.022 8.737 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.219 -10.472 10.103 1.00 0.00 C ATOM 1910 CD2 LEU D 43 9.983 -11.778 8.884 1.00 0.00 C ATOM 0 H LEU D 43 7.292 -10.225 6.481 1.00 0.00 H new ATOM 0 HA LEU D 43 8.809 -12.596 6.572 1.00 0.00 H new ATOM 0 HB2 LEU D 43 6.570 -11.492 8.337 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.541 -12.884 8.775 1.00 0.00 H new ATOM 0 HG LEU D 43 8.786 -10.205 8.030 1.00 0.00 H new ATOM 0 HD11 LEU D 43 8.994 -9.809 10.487 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.287 -9.917 9.997 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.072 -11.299 10.798 1.00 0.00 H new ATOM 0 HD21 LEU D 43 10.746 -11.098 9.263 1.00 0.00 H new ATOM 0 HD22 LEU D 43 9.858 -12.607 9.581 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.291 -12.164 7.912 1.00 0.00 H new ATOM 1922 N ASP D 44 5.584 -12.998 6.009 1.00 0.00 N ATOM 1923 CA ASP D 44 4.595 -13.970 5.563 1.00 0.00 C ATOM 1924 C ASP D 44 4.990 -14.556 4.209 1.00 0.00 C ATOM 1925 O ASP D 44 4.677 -15.707 3.902 1.00 0.00 O ATOM 1926 CB ASP D 44 3.218 -13.309 5.453 1.00 0.00 C ATOM 1927 CG ASP D 44 2.191 -14.324 4.960 1.00 0.00 C ATOM 1928 OD1 ASP D 44 2.522 -15.497 4.917 1.00 0.00 O ATOM 1929 OD2 ASP D 44 1.091 -13.914 4.630 1.00 0.00 O ATOM 0 H ASP D 44 5.232 -12.045 6.101 1.00 0.00 H new ATOM 0 HA ASP D 44 4.552 -14.775 6.297 1.00 0.00 H new ATOM 0 HB2 ASP D 44 2.916 -12.915 6.423 1.00 0.00 H new ATOM 0 HB3 ASP D 44 3.265 -12.464 4.767 1.00 0.00 H new ATOM 1934 N ARG D 45 5.672 -13.751 3.399 1.00 0.00 N ATOM 1935 CA ARG D 45 6.096 -14.186 2.069 1.00 0.00 C ATOM 1936 C ARG D 45 6.978 -15.432 2.164 1.00 0.00 C ATOM 1937 O ARG D 45 6.880 -16.336 1.336 1.00 0.00 O ATOM 1938 CB ARG D 45 6.865 -13.052 1.368 1.00 0.00 C ATOM 1939 CG ARG D 45 6.769 -13.216 -0.155 1.00 0.00 C ATOM 1940 CD ARG D 45 7.599 -12.132 -0.847 1.00 0.00 C ATOM 1941 NE ARG D 45 7.319 -12.119 -2.280 1.00 0.00 N ATOM 1942 CZ ARG D 45 7.727 -13.102 -3.077 1.00 0.00 C ATOM 1943 NH1 ARG D 45 8.396 -14.106 -2.587 1.00 0.00 N ATOM 1944 NH2 ARG D 45 7.456 -13.060 -4.352 1.00 0.00 N ATOM 0 H ARG D 45 5.943 -12.797 3.638 1.00 0.00 H new ATOM 0 HA ARG D 45 5.209 -14.434 1.486 1.00 0.00 H new ATOM 0 HB2 ARG D 45 6.456 -12.086 1.665 1.00 0.00 H new ATOM 0 HB3 ARG D 45 7.910 -13.064 1.678 1.00 0.00 H new ATOM 0 HG2 ARG D 45 7.128 -14.203 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG D 45 5.728 -13.148 -0.472 1.00 0.00 H new ATOM 0 HD2 ARG D 45 7.370 -11.158 -0.416 1.00 0.00 H new ATOM 0 HD3 ARG D 45 8.660 -12.314 -0.678 1.00 0.00 H new ATOM 0 HE ARG D 45 6.798 -11.338 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG D 45 8.608 -14.140 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG D 45 8.708 -14.859 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG D 45 6.932 -12.274 -4.736 1.00 0.00 H new ATOM 0 HH22 ARG D 45 7.768 -13.813 -4.965 1.00 0.00 H new ATOM 1958 N LEU D 46 7.842 -15.471 3.175 1.00 0.00 N ATOM 1959 CA LEU D 46 8.739 -16.610 3.357 1.00 0.00 C ATOM 1960 C LEU D 46 7.935 -17.891 3.578 1.00 0.00 C ATOM 1961 O LEU D 46 8.271 -18.946 3.040 1.00 0.00 O ATOM 1962 CB LEU D 46 9.654 -16.366 4.569 1.00 0.00 C ATOM 1963 CG LEU D 46 10.831 -15.451 4.181 1.00 0.00 C ATOM 1964 CD1 LEU D 46 11.808 -16.174 3.238 1.00 0.00 C ATOM 1965 CD2 LEU D 46 10.285 -14.193 3.499 1.00 0.00 C ATOM 0 H LEU D 46 7.940 -14.735 3.875 1.00 0.00 H new ATOM 0 HA LEU D 46 9.345 -16.721 2.458 1.00 0.00 H new ATOM 0 HB2 LEU D 46 9.083 -15.910 5.378 1.00 0.00 H new ATOM 0 HB3 LEU D 46 10.033 -17.317 4.943 1.00 0.00 H new ATOM 0 HG LEU D 46 11.375 -15.179 5.085 1.00 0.00 H new ATOM 0 HD11 LEU D 46 12.629 -15.504 2.981 1.00 0.00 H new ATOM 0 HD12 LEU D 46 12.205 -17.060 3.734 1.00 0.00 H new ATOM 0 HD13 LEU D 46 11.284 -16.471 2.330 1.00 0.00 H new ATOM 0 HD21 LEU D 46 11.113 -13.541 3.222 1.00 0.00 H new ATOM 0 HD22 LEU D 46 9.731 -14.476 2.604 1.00 0.00 H new ATOM 0 HD23 LEU D 46 9.622 -13.666 4.185 1.00 0.00 H new ATOM 1977 N PHE D 47 6.874 -17.791 4.372 1.00 0.00 N ATOM 1978 CA PHE D 47 6.030 -18.946 4.659 1.00 0.00 C ATOM 1979 C PHE D 47 5.028 -19.168 3.530 1.00 0.00 C ATOM 1980 O PHE D 47 4.332 -20.183 3.493 1.00 0.00 O ATOM 1981 CB PHE D 47 5.285 -18.724 5.977 1.00 0.00 C ATOM 1982 CG PHE D 47 6.278 -18.745 7.116 1.00 0.00 C ATOM 1983 CD1 PHE D 47 7.193 -17.695 7.260 1.00 0.00 C ATOM 1984 CD2 PHE D 47 6.296 -19.817 8.020 1.00 0.00 C ATOM 1985 CE1 PHE D 47 8.122 -17.712 8.303 1.00 0.00 C ATOM 1986 CE2 PHE D 47 7.228 -19.834 9.065 1.00 0.00 C ATOM 1987 CZ PHE D 47 8.143 -18.783 9.207 1.00 0.00 C ATOM 0 H PHE D 47 6.579 -16.927 4.826 1.00 0.00 H new ATOM 0 HA PHE D 47 6.662 -19.830 4.743 1.00 0.00 H new ATOM 0 HB2 PHE D 47 4.758 -17.770 5.955 1.00 0.00 H new ATOM 0 HB3 PHE D 47 4.533 -19.500 6.119 1.00 0.00 H new ATOM 0 HD1 PHE D 47 7.180 -16.870 6.563 1.00 0.00 H new ATOM 0 HD2 PHE D 47 5.592 -20.629 7.910 1.00 0.00 H new ATOM 0 HE1 PHE D 47 8.825 -16.899 8.413 1.00 0.00 H new ATOM 0 HE2 PHE D 47 7.241 -20.659 9.762 1.00 0.00 H new ATOM 0 HZ PHE D 47 8.863 -18.798 10.012 1.00 0.00 H new ATOM 1997 N PHE D 48 4.964 -18.210 2.607 1.00 0.00 N ATOM 1998 CA PHE D 48 4.049 -18.304 1.473 1.00 0.00 C ATOM 1999 C PHE D 48 4.577 -17.503 0.287 1.00 0.00 C ATOM 2000 O PHE D 48 4.393 -16.288 0.215 1.00 0.00 O ATOM 2001 CB PHE D 48 2.668 -17.782 1.874 1.00 0.00 C ATOM 2002 CG PHE D 48 2.022 -18.755 2.832 1.00 0.00 C ATOM 2003 CD1 PHE D 48 2.218 -18.616 4.210 1.00 0.00 C ATOM 2004 CD2 PHE D 48 1.228 -19.796 2.338 1.00 0.00 C ATOM 2005 CE1 PHE D 48 1.621 -19.521 5.096 1.00 0.00 C ATOM 2006 CE2 PHE D 48 0.631 -20.700 3.222 1.00 0.00 C ATOM 2007 CZ PHE D 48 0.827 -20.564 4.601 1.00 0.00 C ATOM 0 H PHE D 48 5.533 -17.363 2.622 1.00 0.00 H new ATOM 0 HA PHE D 48 3.970 -19.351 1.179 1.00 0.00 H new ATOM 0 HB2 PHE D 48 2.759 -16.801 2.341 1.00 0.00 H new ATOM 0 HB3 PHE D 48 2.044 -17.657 0.989 1.00 0.00 H new ATOM 0 HD1 PHE D 48 2.829 -17.811 4.590 1.00 0.00 H new ATOM 0 HD2 PHE D 48 1.076 -19.901 1.274 1.00 0.00 H new ATOM 0 HE1 PHE D 48 1.772 -19.415 6.160 1.00 0.00 H new ATOM 0 HE2 PHE D 48 0.018 -21.503 2.840 1.00 0.00 H new ATOM 0 HZ PHE D 48 0.366 -21.263 5.284 1.00 0.00 H new ATOM 2017 N LYS D 49 5.228 -18.193 -0.645 1.00 0.00 N ATOM 2018 CA LYS D 49 5.773 -17.536 -1.831 1.00 0.00 C ATOM 2019 C LYS D 49 4.695 -17.381 -2.899 1.00 0.00 C ATOM 2020 O LYS D 49 5.052 -17.163 -4.046 1.00 0.00 O ATOM 2021 CB LYS D 49 6.939 -18.354 -2.393 1.00 0.00 C ATOM 2022 CG LYS D 49 6.496 -19.807 -2.593 1.00 0.00 C ATOM 2023 CD LYS D 49 7.567 -20.575 -3.378 1.00 0.00 C ATOM 2024 CE LYS D 49 8.837 -20.720 -2.533 1.00 0.00 C ATOM 2025 NZ LYS D 49 9.705 -21.778 -3.122 1.00 0.00 N ATOM 2026 OXT LYS D 49 3.529 -17.485 -2.556 1.00 0.00 O ATOM 0 H LYS D 49 5.391 -19.199 -0.604 1.00 0.00 H new ATOM 0 HA LYS D 49 6.130 -16.547 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS D 49 7.271 -17.930 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS D 49 7.788 -18.312 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS D 49 6.330 -20.282 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS D 49 5.548 -19.837 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS D 49 7.190 -21.560 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS D 49 7.796 -20.050 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS D 49 9.374 -19.772 -2.497 1.00 0.00 H new ATOM 0 HE3 LYS D 49 8.577 -20.978 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS D 49 10.568 -21.878 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS D 49 9.191 -22.682 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS D 49 9.963 -21.514 -4.094 1.00 0.00 H new TER 2040 LYS D 49 HETATM 2041 S 3LW C 100 1.862 8.226 -2.072 1.00 0.00 S HETATM 2042 BR 3LW C 100 3.478 10.335 -3.390 1.00 0.00 BR HETATM 2043 C1 3LW C 100 2.302 9.623 -2.076 1.00 0.00 C HETATM 2044 C2 3LW C 100 1.788 10.325 -1.061 1.00 0.00 C HETATM 2045 N2 3LW C 100 0.661 5.901 -1.057 1.00 0.00 N HETATM 2046 C3 3LW C 100 1.011 9.513 -0.339 1.00 0.00 C HETATM 2047 C5 3LW C 100 0.251 7.108 -0.329 1.00 0.00 C HETATM 2048 C10 3LW C 100 0.293 4.571 -0.503 1.00 0.00 C HETATM 2049 C12 3LW C 100 1.009 8.279 -0.871 1.00 0.00 C HETATM 2050 C61 3LW C 100 0.945 4.321 0.889 1.00 0.00 C HETATM 2051 C62 3LW C 100 0.777 3.430 -1.440 1.00 0.00 C HETATM 2052 C63 3LW C 100 -1.248 4.399 -0.333 1.00 0.00 C HETATM 2053 C71 3LW C 100 0.575 2.925 1.444 1.00 0.00 C HETATM 2054 C72 3LW C 100 0.411 2.037 -0.879 1.00 0.00 C HETATM 2055 C73 3LW C 100 -1.603 3.003 0.225 1.00 0.00 C HETATM 2056 C81 3LW C 100 1.069 1.832 0.491 1.00 0.00 C HETATM 2057 C82 3LW C 100 -1.109 1.914 -0.732 1.00 0.00 C HETATM 2058 C83 3LW C 100 -0.947 2.810 1.599 1.00 0.00 C