USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1061 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 20 ASN : amide:sc= -1.49 K(o=-0.46,f=-6.3!) USER MOD Set 1.2: D 23 SER OG : rot 48:sc= 1.04 USER MOD Set 2.1: C 20 ASN : amide:sc= -1.5! C(o=-0.63!,f=-6.8!) USER MOD Set 2.2: C 23 SER OG : rot 65:sc= 0.865 USER MOD Set 3.1: B 20 ASN : amide:sc= -1.58 K(o=-0.64,f=-5.8!) USER MOD Set 3.2: B 23 SER OG : rot 72:sc= 0.945 USER MOD Set 4.1: A 20 ASN : amide:sc= -1.67! C(o=-0.65!,f=-6.2!) USER MOD Set 4.2: A 23 SER OG : rot 78:sc= 1.02 USER MOD Single : A 19 SER OG : rot -53:sc= 0.309 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -140:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -8! C(o=-8!,f=-9!) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= -0.99 (180deg=-1.09) USER MOD Single : B 19 SER OG : rot -56:sc= 0.331 USER MOD Single : B 22 SER OG : rot 180:sc=0.000908 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -7.86! C(o=-7.9!,f=-8.9!) USER MOD Single : B 49 LYS NZ :NH3+ 177:sc= -1.45 (180deg=-1.54) USER MOD Single : C 19 SER OG : rot -53:sc= 0.305 USER MOD Single : C 22 SER OG : rot 180:sc= 0.00124 USER MOD Single : C 31 SER OG : rot -150:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-8.5!) USER MOD Single : C 49 LYS NZ :NH3+ 167:sc= -1.24 (180deg=-1.53) USER MOD Single : D 19 SER OG : rot -52:sc= 0.327 USER MOD Single : D 22 SER OG : rot 180:sc= 0.00154 USER MOD Single : D 31 SER OG : rot -150:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -7.57! C(o=-7.6!,f=-8.4!) USER MOD Single : D 49 LYS NZ :NH3+ 176:sc= -1.11 (180deg=-1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 -24.126 13.171 5.709 1.00 0.00 N ATOM 2 CA SER A 19 -23.381 13.801 6.836 1.00 0.00 C ATOM 3 C SER A 19 -22.631 12.725 7.612 1.00 0.00 C ATOM 4 O SER A 19 -22.656 12.702 8.842 1.00 0.00 O ATOM 5 CB SER A 19 -24.367 14.518 7.758 1.00 0.00 C ATOM 6 OG SER A 19 -23.644 15.298 8.703 1.00 0.00 O ATOM 0 HA SER A 19 -22.665 14.524 6.445 1.00 0.00 H new ATOM 0 HB2 SER A 19 -25.031 15.156 7.174 1.00 0.00 H new ATOM 0 HB3 SER A 19 -24.995 13.791 8.273 1.00 0.00 H new ATOM 0 HG SER A 19 -22.988 14.732 9.161 1.00 0.00 H new ATOM 14 N ASN A 20 -21.959 11.835 6.886 1.00 0.00 N ATOM 15 CA ASN A 20 -21.201 10.760 7.520 1.00 0.00 C ATOM 16 C ASN A 20 -20.134 10.225 6.570 1.00 0.00 C ATOM 17 O ASN A 20 -20.268 10.325 5.350 1.00 0.00 O ATOM 18 CB ASN A 20 -22.144 9.625 7.922 1.00 0.00 C ATOM 19 CG ASN A 20 -22.753 8.989 6.678 1.00 0.00 C ATOM 20 OD1 ASN A 20 -22.477 9.422 5.559 1.00 0.00 O ATOM 21 ND2 ASN A 20 -23.570 7.979 6.806 1.00 0.00 N ATOM 0 H ASN A 20 -21.924 11.836 5.867 1.00 0.00 H new ATOM 0 HA ASN A 20 -20.713 11.159 8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -21.600 8.874 8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -22.934 10.009 8.568 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -23.981 7.547 5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -23.798 7.622 7.734 1.00 0.00 H new ATOM 28 N ASP A 21 -19.079 9.651 7.137 1.00 0.00 N ATOM 29 CA ASP A 21 -17.995 9.097 6.334 1.00 0.00 C ATOM 30 C ASP A 21 -18.425 7.788 5.682 1.00 0.00 C ATOM 31 O ASP A 21 -17.781 7.304 4.752 1.00 0.00 O ATOM 32 CB ASP A 21 -16.765 8.854 7.213 1.00 0.00 C ATOM 33 CG ASP A 21 -16.156 10.188 7.631 1.00 0.00 C ATOM 34 OD1 ASP A 21 -16.491 11.189 7.020 1.00 0.00 O ATOM 35 OD2 ASP A 21 -15.360 10.187 8.557 1.00 0.00 O ATOM 0 H ASP A 21 -18.951 9.557 8.145 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.745 9.813 5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.046 8.280 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.029 8.263 6.669 1.00 0.00 H new ATOM 40 N SER A 22 -19.519 7.219 6.177 1.00 0.00 N ATOM 41 CA SER A 22 -20.026 5.963 5.635 1.00 0.00 C ATOM 42 C SER A 22 -20.491 6.157 4.196 1.00 0.00 C ATOM 43 O SER A 22 -20.648 5.192 3.450 1.00 0.00 O ATOM 44 CB SER A 22 -21.190 5.458 6.489 1.00 0.00 C ATOM 45 OG SER A 22 -20.832 5.540 7.863 1.00 0.00 O ATOM 0 H SER A 22 -20.068 7.603 6.946 1.00 0.00 H new ATOM 0 HA SER A 22 -19.222 5.227 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 22 -22.083 6.054 6.297 1.00 0.00 H new ATOM 0 HB3 SER A 22 -21.431 4.428 6.224 1.00 0.00 H new ATOM 0 HG SER A 22 -21.576 5.219 8.415 1.00 0.00 H new ATOM 51 N SER A 23 -20.713 7.411 3.814 1.00 0.00 N ATOM 52 CA SER A 23 -21.162 7.719 2.463 1.00 0.00 C ATOM 53 C SER A 23 -20.150 7.229 1.433 1.00 0.00 C ATOM 54 O SER A 23 -20.527 6.689 0.394 1.00 0.00 O ATOM 55 CB SER A 23 -21.367 9.226 2.303 1.00 0.00 C ATOM 56 OG SER A 23 -22.446 9.645 3.131 1.00 0.00 O ATOM 0 H SER A 23 -20.590 8.224 4.417 1.00 0.00 H new ATOM 0 HA SER A 23 -22.110 7.207 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.456 9.759 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.578 9.467 1.261 1.00 0.00 H new ATOM 0 HG SER A 23 -22.140 9.709 4.060 1.00 0.00 H new ATOM 62 N ASP A 24 -18.863 7.431 1.722 1.00 0.00 N ATOM 63 CA ASP A 24 -17.794 7.010 0.812 1.00 0.00 C ATOM 64 C ASP A 24 -17.118 5.725 1.327 1.00 0.00 C ATOM 65 O ASP A 24 -16.264 5.797 2.210 1.00 0.00 O ATOM 66 CB ASP A 24 -16.753 8.130 0.715 1.00 0.00 C ATOM 67 CG ASP A 24 -17.454 9.472 0.515 1.00 0.00 C ATOM 68 OD1 ASP A 24 -18.487 9.489 -0.135 1.00 0.00 O ATOM 69 OD2 ASP A 24 -16.949 10.466 1.013 1.00 0.00 O ATOM 0 H ASP A 24 -18.535 7.882 2.576 1.00 0.00 H new ATOM 0 HA ASP A 24 -18.222 6.807 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.149 8.157 1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.074 7.937 -0.115 1.00 0.00 H new ATOM 74 N PRO A 25 -17.473 4.558 0.819 1.00 0.00 N ATOM 75 CA PRO A 25 -16.865 3.275 1.279 1.00 0.00 C ATOM 76 C PRO A 25 -15.460 3.058 0.715 1.00 0.00 C ATOM 77 O PRO A 25 -14.731 2.175 1.168 1.00 0.00 O ATOM 78 CB PRO A 25 -17.849 2.205 0.788 1.00 0.00 C ATOM 79 CG PRO A 25 -18.496 2.795 -0.426 1.00 0.00 C ATOM 80 CD PRO A 25 -18.476 4.321 -0.245 1.00 0.00 C ATOM 0 HA PRO A 25 -16.724 3.253 2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.333 1.276 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.589 1.969 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.958 2.506 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.518 2.432 -0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -18.199 4.826 -1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -19.457 4.699 0.044 1.00 0.00 H new ATOM 88 N LEU A 26 -15.098 3.850 -0.292 1.00 0.00 N ATOM 89 CA LEU A 26 -13.790 3.716 -0.927 1.00 0.00 C ATOM 90 C LEU A 26 -12.668 3.933 0.089 1.00 0.00 C ATOM 91 O LEU A 26 -11.681 3.198 0.098 1.00 0.00 O ATOM 92 CB LEU A 26 -13.664 4.748 -2.060 1.00 0.00 C ATOM 93 CG LEU A 26 -14.367 4.235 -3.321 1.00 0.00 C ATOM 94 CD1 LEU A 26 -15.853 4.026 -3.031 1.00 0.00 C ATOM 95 CD2 LEU A 26 -14.210 5.263 -4.444 1.00 0.00 C ATOM 0 H LEU A 26 -15.687 4.585 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.701 2.708 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.104 5.696 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.612 4.939 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.920 3.288 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.351 3.661 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -15.968 3.296 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -16.301 4.972 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.710 4.900 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.657 6.208 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.151 5.414 -4.654 1.00 0.00 H new ATOM 107 N VAL A 27 -12.820 4.940 0.941 1.00 0.00 N ATOM 108 CA VAL A 27 -11.802 5.229 1.948 1.00 0.00 C ATOM 109 C VAL A 27 -11.724 4.101 2.975 1.00 0.00 C ATOM 110 O VAL A 27 -10.638 3.717 3.412 1.00 0.00 O ATOM 111 CB VAL A 27 -12.118 6.556 2.650 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.422 7.628 1.598 1.00 0.00 C ATOM 113 CG2 VAL A 27 -13.329 6.382 3.568 1.00 0.00 C ATOM 0 H VAL A 27 -13.627 5.564 0.957 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.837 5.310 1.449 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.258 6.862 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.647 8.572 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.556 7.757 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.280 7.319 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.549 7.328 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.192 6.073 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.111 5.621 4.318 1.00 0.00 H new ATOM 123 N VAL A 28 -12.885 3.579 3.353 1.00 0.00 N ATOM 124 CA VAL A 28 -12.944 2.500 4.331 1.00 0.00 C ATOM 125 C VAL A 28 -12.196 1.274 3.813 1.00 0.00 C ATOM 126 O VAL A 28 -11.435 0.646 4.546 1.00 0.00 O ATOM 127 CB VAL A 28 -14.403 2.133 4.613 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.458 0.917 5.542 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.102 3.319 5.284 1.00 0.00 C ATOM 0 H VAL A 28 -13.792 3.883 3.000 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.472 2.838 5.254 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.905 1.893 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.498 0.658 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.958 0.073 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.957 1.153 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.142 3.062 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.598 3.556 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.065 4.185 4.623 1.00 0.00 H new ATOM 139 N ALA A 29 -12.420 0.942 2.547 1.00 0.00 N ATOM 140 CA ALA A 29 -11.760 -0.209 1.947 1.00 0.00 C ATOM 141 C ALA A 29 -10.247 -0.018 1.949 1.00 0.00 C ATOM 142 O ALA A 29 -9.495 -0.963 2.175 1.00 0.00 O ATOM 143 CB ALA A 29 -12.247 -0.401 0.510 1.00 0.00 C ATOM 0 H ALA A 29 -13.047 1.448 1.922 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.007 -1.093 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.748 -1.264 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.325 -0.565 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.016 0.490 -0.075 1.00 0.00 H new ATOM 149 N ALA A 30 -9.807 1.210 1.701 1.00 0.00 N ATOM 150 CA ALA A 30 -8.379 1.503 1.678 1.00 0.00 C ATOM 151 C ALA A 30 -7.724 1.072 2.985 1.00 0.00 C ATOM 152 O ALA A 30 -6.686 0.410 2.981 1.00 0.00 O ATOM 153 CB ALA A 30 -8.156 3.000 1.462 1.00 0.00 C ATOM 0 H ALA A 30 -10.411 2.011 1.515 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.926 0.947 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.087 3.210 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.599 3.301 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.623 3.558 2.273 1.00 0.00 H new ATOM 159 N SER A 31 -8.338 1.446 4.102 1.00 0.00 N ATOM 160 CA SER A 31 -7.803 1.083 5.410 1.00 0.00 C ATOM 161 C SER A 31 -7.754 -0.436 5.565 1.00 0.00 C ATOM 162 O SER A 31 -6.776 -0.988 6.071 1.00 0.00 O ATOM 163 CB SER A 31 -8.674 1.683 6.514 1.00 0.00 C ATOM 164 OG SER A 31 -8.653 3.100 6.409 1.00 0.00 O ATOM 0 H SER A 31 -9.198 1.995 4.130 1.00 0.00 H new ATOM 0 HA SER A 31 -6.791 1.478 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.696 1.315 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.306 1.374 7.492 1.00 0.00 H new ATOM 0 HG SER A 31 -8.609 3.494 7.305 1.00 0.00 H new ATOM 170 N ILE A 32 -8.815 -1.106 5.122 1.00 0.00 N ATOM 171 CA ILE A 32 -8.888 -2.562 5.212 1.00 0.00 C ATOM 172 C ILE A 32 -7.800 -3.204 4.356 1.00 0.00 C ATOM 173 O ILE A 32 -7.163 -4.171 4.772 1.00 0.00 O ATOM 174 CB ILE A 32 -10.266 -3.052 4.758 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.325 -2.590 5.763 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.272 -4.584 4.692 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.722 -2.829 5.183 1.00 0.00 C ATOM 0 H ILE A 32 -9.633 -0.667 4.699 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.733 -2.852 6.251 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.487 -2.643 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.212 -3.133 6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.190 -1.532 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.254 -4.930 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.516 -4.921 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.050 -4.992 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.475 -2.500 5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.832 -2.266 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.855 -3.892 4.980 1.00 0.00 H new ATOM 189 N ILE A 33 -7.599 -2.667 3.160 1.00 0.00 N ATOM 190 CA ILE A 33 -6.591 -3.204 2.251 1.00 0.00 C ATOM 191 C ILE A 33 -5.199 -3.105 2.869 1.00 0.00 C ATOM 192 O ILE A 33 -4.413 -4.048 2.795 1.00 0.00 O ATOM 193 CB ILE A 33 -6.623 -2.425 0.928 1.00 0.00 C ATOM 194 CG1 ILE A 33 -7.909 -2.758 0.166 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.407 -2.791 0.065 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.099 -1.752 -0.973 1.00 0.00 C ATOM 0 H ILE A 33 -8.115 -1.866 2.797 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.815 -4.254 2.065 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.593 -1.358 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.856 -3.771 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.764 -2.726 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.443 -2.231 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.492 -2.542 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.422 -3.859 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.014 -1.987 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.170 -0.745 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.249 -1.807 -1.653 1.00 0.00 H new ATOM 208 N GLY A 34 -4.895 -1.963 3.470 1.00 0.00 N ATOM 209 CA GLY A 34 -3.588 -1.778 4.082 1.00 0.00 C ATOM 210 C GLY A 34 -3.368 -2.766 5.221 1.00 0.00 C ATOM 211 O GLY A 34 -2.361 -3.472 5.258 1.00 0.00 O ATOM 0 H GLY A 34 -5.524 -1.164 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.810 -1.907 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.501 -0.759 4.459 1.00 0.00 H new ATOM 215 N ILE A 35 -4.315 -2.813 6.155 1.00 0.00 N ATOM 216 CA ILE A 35 -4.205 -3.723 7.292 1.00 0.00 C ATOM 217 C ILE A 35 -4.279 -5.182 6.840 1.00 0.00 C ATOM 218 O ILE A 35 -3.505 -6.020 7.298 1.00 0.00 O ATOM 219 CB ILE A 35 -5.326 -3.436 8.296 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.110 -2.052 8.913 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.307 -4.491 9.407 1.00 0.00 C ATOM 222 CD1 ILE A 35 -6.359 -1.642 9.693 1.00 0.00 C ATOM 0 H ILE A 35 -5.158 -2.239 6.148 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.237 -3.560 7.766 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.287 -3.467 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.244 -2.068 9.575 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.900 -1.322 8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.106 -4.284 10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.456 -5.480 8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.346 -4.461 9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.206 -0.656 10.133 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.215 -1.610 9.019 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.548 -2.367 10.485 1.00 0.00 H new ATOM 234 N LEU A 36 -5.225 -5.480 5.951 1.00 0.00 N ATOM 235 CA LEU A 36 -5.400 -6.847 5.460 1.00 0.00 C ATOM 236 C LEU A 36 -4.159 -7.321 4.715 1.00 0.00 C ATOM 237 O LEU A 36 -3.668 -8.430 4.935 1.00 0.00 O ATOM 238 CB LEU A 36 -6.613 -6.909 4.522 1.00 0.00 C ATOM 239 CG LEU A 36 -6.810 -8.337 3.985 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.030 -9.318 5.150 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.030 -8.354 3.059 1.00 0.00 C ATOM 0 H LEU A 36 -5.877 -4.801 5.559 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.561 -7.500 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.508 -6.588 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.472 -6.218 3.691 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.920 -8.644 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.168 -10.325 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.161 -9.302 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.916 -9.023 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.179 -9.362 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.914 -8.045 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.866 -7.667 2.228 1.00 0.00 H new ATOM 253 N HIS A 37 -3.655 -6.470 3.832 1.00 0.00 N ATOM 254 CA HIS A 37 -2.474 -6.810 3.060 1.00 0.00 C ATOM 255 C HIS A 37 -1.301 -7.083 3.988 1.00 0.00 C ATOM 256 O HIS A 37 -0.517 -8.003 3.758 1.00 0.00 O ATOM 257 CB HIS A 37 -2.120 -5.673 2.107 1.00 0.00 C ATOM 258 CG HIS A 37 -0.903 -6.060 1.318 1.00 0.00 C ATOM 259 ND1 HIS A 37 -0.937 -6.231 -0.052 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.383 -6.335 1.698 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.296 -6.594 -0.447 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.142 -6.670 0.582 1.00 0.00 N ATOM 0 H HIS A 37 -4.043 -5.548 3.635 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.687 -7.708 2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.955 -5.470 1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.931 -4.757 2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.753 -6.297 2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.568 -6.799 -1.472 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.131 -6.920 0.556 1.00 0.00 H new ATOM 270 N LEU A 38 -1.183 -6.275 5.034 1.00 0.00 N ATOM 271 CA LEU A 38 -0.092 -6.433 5.986 1.00 0.00 C ATOM 272 C LEU A 38 -0.152 -7.791 6.669 1.00 0.00 C ATOM 273 O LEU A 38 0.873 -8.420 6.895 1.00 0.00 O ATOM 274 CB LEU A 38 -0.137 -5.313 7.042 1.00 0.00 C ATOM 275 CG LEU A 38 0.629 -4.069 6.552 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.321 -2.881 7.479 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.152 -4.344 6.549 1.00 0.00 C ATOM 0 H LEU A 38 -1.824 -5.510 5.243 1.00 0.00 H new ATOM 0 HA LEU A 38 0.846 -6.368 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.173 -5.048 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.298 -5.669 7.976 1.00 0.00 H new ATOM 0 HG LEU A 38 0.312 -3.834 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.862 -2.000 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.750 -2.677 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.632 -3.122 8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.681 -3.457 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.480 -4.589 7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.369 -5.180 5.885 1.00 0.00 H new ATOM 289 N ILE A 39 -1.343 -8.246 7.007 1.00 0.00 N ATOM 290 CA ILE A 39 -1.459 -9.533 7.674 1.00 0.00 C ATOM 291 C ILE A 39 -0.865 -10.635 6.801 1.00 0.00 C ATOM 292 O ILE A 39 -0.059 -11.436 7.268 1.00 0.00 O ATOM 293 CB ILE A 39 -2.933 -9.832 7.954 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.449 -8.852 9.008 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.086 -11.268 8.465 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.973 -8.952 9.111 1.00 0.00 C ATOM 0 H ILE A 39 -2.224 -7.761 6.838 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.910 -9.497 8.615 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.509 -9.721 7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.995 -9.072 9.974 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.160 -7.835 8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.138 -11.474 8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.715 -11.964 7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.514 -11.390 9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.334 -8.251 9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.420 -8.710 8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.253 -9.966 9.396 1.00 0.00 H new ATOM 308 N LEU A 40 -1.260 -10.666 5.535 1.00 0.00 N ATOM 309 CA LEU A 40 -0.742 -11.678 4.619 1.00 0.00 C ATOM 310 C LEU A 40 0.737 -11.446 4.298 1.00 0.00 C ATOM 311 O LEU A 40 1.524 -12.390 4.257 1.00 0.00 O ATOM 312 CB LEU A 40 -1.557 -11.668 3.329 1.00 0.00 C ATOM 313 CG LEU A 40 -3.047 -11.771 3.664 1.00 0.00 C ATOM 314 CD1 LEU A 40 -3.856 -11.744 2.366 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.328 -13.078 4.426 1.00 0.00 C ATOM 0 H LEU A 40 -1.927 -10.014 5.122 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.830 -12.649 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.362 -10.753 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.259 -12.500 2.692 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.335 -10.929 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.919 -11.817 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.663 -10.811 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.563 -12.585 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.391 -13.142 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.041 -13.929 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.752 -13.091 5.351 1.00 0.00 H new ATOM 327 N TRP A 41 1.104 -10.189 4.060 1.00 0.00 N ATOM 328 CA TRP A 41 2.490 -9.857 3.728 1.00 0.00 C ATOM 329 C TRP A 41 3.422 -10.100 4.919 1.00 0.00 C ATOM 330 O TRP A 41 4.537 -10.597 4.748 1.00 0.00 O ATOM 331 CB TRP A 41 2.579 -8.407 3.230 1.00 0.00 C ATOM 332 CG TRP A 41 4.012 -8.024 3.010 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.739 -8.316 1.901 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.877 -7.217 3.859 1.00 0.00 C ATOM 335 NE1 TRP A 41 6.010 -7.789 2.050 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.140 -7.098 3.235 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.698 -6.599 5.105 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.181 -6.391 3.829 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.746 -5.877 5.699 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.982 -5.776 5.062 1.00 0.00 C ATOM 0 H TRP A 41 0.470 -9.390 4.090 1.00 0.00 H new ATOM 0 HA TRP A 41 2.821 -10.516 2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.019 -8.298 2.301 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.123 -7.736 3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.384 -8.869 1.044 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.759 -7.899 1.366 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.747 -6.679 5.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.139 -6.320 3.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.594 -5.397 6.655 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.785 -5.221 5.525 1.00 0.00 H new ATOM 351 N ILE A 42 2.962 -9.760 6.121 1.00 0.00 N ATOM 352 CA ILE A 42 3.772 -9.963 7.324 1.00 0.00 C ATOM 353 C ILE A 42 4.054 -11.452 7.537 1.00 0.00 C ATOM 354 O ILE A 42 5.190 -11.842 7.803 1.00 0.00 O ATOM 355 CB ILE A 42 3.028 -9.393 8.548 1.00 0.00 C ATOM 356 CG1 ILE A 42 3.108 -7.863 8.533 1.00 0.00 C ATOM 357 CG2 ILE A 42 3.644 -9.922 9.849 1.00 0.00 C ATOM 358 CD1 ILE A 42 2.107 -7.290 9.538 1.00 0.00 C ATOM 0 H ILE A 42 2.044 -9.348 6.289 1.00 0.00 H new ATOM 0 HA ILE A 42 4.723 -9.444 7.199 1.00 0.00 H new ATOM 0 HB ILE A 42 1.986 -9.709 8.498 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.118 -7.539 8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.892 -7.487 7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.105 -9.508 10.701 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.574 -11.010 9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.691 -9.625 9.903 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.164 -6.202 9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.099 -7.604 9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.344 -7.656 10.537 1.00 0.00 H new ATOM 370 N LEU A 43 3.020 -12.275 7.406 1.00 0.00 N ATOM 371 CA LEU A 43 3.178 -13.717 7.579 1.00 0.00 C ATOM 372 C LEU A 43 4.069 -14.293 6.479 1.00 0.00 C ATOM 373 O LEU A 43 4.862 -15.199 6.726 1.00 0.00 O ATOM 374 CB LEU A 43 1.800 -14.420 7.586 1.00 0.00 C ATOM 375 CG LEU A 43 1.237 -14.528 9.015 1.00 0.00 C ATOM 376 CD1 LEU A 43 0.853 -13.147 9.560 1.00 0.00 C ATOM 377 CD2 LEU A 43 0.001 -15.429 8.994 1.00 0.00 C ATOM 0 H LEU A 43 2.071 -11.974 7.183 1.00 0.00 H new ATOM 0 HA LEU A 43 3.658 -13.897 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.103 -13.865 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.895 -15.416 7.153 1.00 0.00 H new ATOM 0 HG LEU A 43 2.004 -14.951 9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.458 -13.252 10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.734 -12.506 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.093 -12.701 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.406 -15.512 10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.752 -14.999 8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.278 -16.419 8.632 1.00 0.00 H new ATOM 389 N ASP A 44 3.926 -13.771 5.266 1.00 0.00 N ATOM 390 CA ASP A 44 4.723 -14.260 4.147 1.00 0.00 C ATOM 391 C ASP A 44 6.206 -14.234 4.502 1.00 0.00 C ATOM 392 O ASP A 44 6.913 -15.225 4.320 1.00 0.00 O ATOM 393 CB ASP A 44 4.479 -13.385 2.917 1.00 0.00 C ATOM 394 CG ASP A 44 5.207 -13.965 1.711 1.00 0.00 C ATOM 395 OD1 ASP A 44 5.962 -14.906 1.896 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.001 -13.459 0.619 1.00 0.00 O ATOM 0 H ASP A 44 3.276 -13.020 5.034 1.00 0.00 H new ATOM 0 HA ASP A 44 4.427 -15.286 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.410 -13.323 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.827 -12.370 3.108 1.00 0.00 H new ATOM 401 N ARG A 45 6.667 -13.104 5.020 1.00 0.00 N ATOM 402 CA ARG A 45 8.067 -12.972 5.411 1.00 0.00 C ATOM 403 C ARG A 45 8.403 -13.910 6.568 1.00 0.00 C ATOM 404 O ARG A 45 9.523 -14.414 6.663 1.00 0.00 O ATOM 405 CB ARG A 45 8.378 -11.531 5.816 1.00 0.00 C ATOM 406 CG ARG A 45 8.385 -10.641 4.573 1.00 0.00 C ATOM 407 CD ARG A 45 8.616 -9.190 4.992 1.00 0.00 C ATOM 408 NE ARG A 45 9.911 -9.059 5.651 1.00 0.00 N ATOM 409 CZ ARG A 45 10.292 -7.908 6.194 1.00 0.00 C ATOM 410 NH1 ARG A 45 9.506 -6.868 6.132 1.00 0.00 N ATOM 411 NH2 ARG A 45 11.450 -7.817 6.788 1.00 0.00 N ATOM 0 H ARG A 45 6.100 -12.271 5.179 1.00 0.00 H new ATOM 0 HA ARG A 45 8.678 -13.243 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.634 -11.174 6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.346 -11.483 6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.168 -10.962 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.438 -10.732 4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.577 -8.540 4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.822 -8.867 5.665 1.00 0.00 H new ATOM 0 HE ARG A 45 10.535 -9.865 5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.601 -6.940 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.797 -5.983 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.064 -8.630 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.741 -6.933 7.205 1.00 0.00 H new ATOM 425 N LEU A 46 7.440 -14.120 7.459 1.00 0.00 N ATOM 426 CA LEU A 46 7.664 -14.976 8.618 1.00 0.00 C ATOM 427 C LEU A 46 8.028 -16.394 8.164 1.00 0.00 C ATOM 428 O LEU A 46 8.961 -17.004 8.683 1.00 0.00 O ATOM 429 CB LEU A 46 6.388 -15.005 9.485 1.00 0.00 C ATOM 430 CG LEU A 46 6.734 -15.258 10.961 1.00 0.00 C ATOM 431 CD1 LEU A 46 5.440 -15.376 11.766 1.00 0.00 C ATOM 432 CD2 LEU A 46 7.548 -16.551 11.106 1.00 0.00 C ATOM 0 H LEU A 46 6.506 -13.714 7.402 1.00 0.00 H new ATOM 0 HA LEU A 46 8.491 -14.579 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.857 -14.058 9.389 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.717 -15.785 9.126 1.00 0.00 H new ATOM 0 HG LEU A 46 7.331 -14.426 11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.679 -15.556 12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.870 -14.451 11.677 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.847 -16.206 11.382 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.785 -16.716 12.157 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.966 -17.392 10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.472 -16.465 10.535 1.00 0.00 H new ATOM 444 N PHE A 47 7.296 -16.910 7.181 1.00 0.00 N ATOM 445 CA PHE A 47 7.569 -18.251 6.674 1.00 0.00 C ATOM 446 C PHE A 47 8.979 -18.330 6.099 1.00 0.00 C ATOM 447 O PHE A 47 9.725 -19.264 6.392 1.00 0.00 O ATOM 448 CB PHE A 47 6.556 -18.623 5.590 1.00 0.00 C ATOM 449 CG PHE A 47 5.208 -18.888 6.224 1.00 0.00 C ATOM 450 CD1 PHE A 47 5.034 -20.013 7.037 1.00 0.00 C ATOM 451 CD2 PHE A 47 4.135 -18.015 5.996 1.00 0.00 C ATOM 452 CE1 PHE A 47 3.789 -20.267 7.624 1.00 0.00 C ATOM 453 CE2 PHE A 47 2.892 -18.270 6.585 1.00 0.00 C ATOM 454 CZ PHE A 47 2.718 -19.395 7.398 1.00 0.00 C ATOM 0 H PHE A 47 6.521 -16.429 6.725 1.00 0.00 H new ATOM 0 HA PHE A 47 7.484 -18.952 7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.474 -17.816 4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.895 -19.507 5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.861 -20.686 7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.268 -17.147 5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.655 -21.136 8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.065 -17.597 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.757 -19.591 7.851 1.00 0.00 H new ATOM 464 N PHE A 48 9.342 -17.343 5.286 1.00 0.00 N ATOM 465 CA PHE A 48 10.672 -17.311 4.683 1.00 0.00 C ATOM 466 C PHE A 48 11.066 -15.881 4.332 1.00 0.00 C ATOM 467 O PHE A 48 10.207 -15.014 4.169 1.00 0.00 O ATOM 468 CB PHE A 48 10.694 -18.179 3.423 1.00 0.00 C ATOM 469 CG PHE A 48 10.502 -19.629 3.808 1.00 0.00 C ATOM 470 CD1 PHE A 48 11.558 -20.345 4.382 1.00 0.00 C ATOM 471 CD2 PHE A 48 9.269 -20.257 3.588 1.00 0.00 C ATOM 472 CE1 PHE A 48 11.384 -21.687 4.738 1.00 0.00 C ATOM 473 CE2 PHE A 48 9.095 -21.599 3.944 1.00 0.00 C ATOM 474 CZ PHE A 48 10.151 -22.314 4.519 1.00 0.00 C ATOM 0 H PHE A 48 8.740 -16.560 5.030 1.00 0.00 H new ATOM 0 HA PHE A 48 11.389 -17.704 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.906 -17.866 2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.641 -18.053 2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.509 -19.861 4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.453 -19.706 3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.200 -22.239 5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.145 -22.083 3.775 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.015 -23.350 4.794 1.00 0.00 H new ATOM 484 N LYS A 49 12.368 -15.641 4.215 1.00 0.00 N ATOM 485 CA LYS A 49 12.860 -14.311 3.883 1.00 0.00 C ATOM 486 C LYS A 49 12.213 -13.260 4.782 1.00 0.00 C ATOM 487 O LYS A 49 11.190 -12.724 4.390 1.00 0.00 O ATOM 488 CB LYS A 49 12.554 -13.993 2.417 1.00 0.00 C ATOM 489 CG LYS A 49 13.169 -12.643 2.041 1.00 0.00 C ATOM 490 CD LYS A 49 12.902 -12.351 0.563 1.00 0.00 C ATOM 491 CE LYS A 49 13.521 -11.004 0.191 1.00 0.00 C ATOM 492 NZ LYS A 49 15.001 -11.075 0.349 1.00 0.00 N ATOM 493 OXT LYS A 49 12.749 -13.010 5.848 1.00 0.00 O ATOM 0 H LYS A 49 13.095 -16.344 4.344 1.00 0.00 H new ATOM 0 HA LYS A 49 13.938 -14.292 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.954 -14.777 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.476 -13.969 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.744 -11.853 2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.242 -12.655 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.325 -13.141 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.829 -12.336 0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.267 -10.747 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.114 -10.217 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.433 -10.208 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.238 -11.167 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.366 -11.900 -0.169 1.00 0.00 H new TER 507 LYS A 49 ATOM 508 N SER B 19 -19.106 19.645 -5.955 1.00 0.00 N ATOM 509 CA SER B 19 -19.957 18.943 -4.953 1.00 0.00 C ATOM 510 C SER B 19 -19.948 17.445 -5.240 1.00 0.00 C ATOM 511 O SER B 19 -20.994 16.796 -5.230 1.00 0.00 O ATOM 512 CB SER B 19 -21.385 19.482 -5.034 1.00 0.00 C ATOM 513 OG SER B 19 -22.143 18.968 -3.946 1.00 0.00 O ATOM 0 HA SER B 19 -19.565 19.117 -3.951 1.00 0.00 H new ATOM 0 HB2 SER B 19 -21.377 20.572 -5.004 1.00 0.00 H new ATOM 0 HB3 SER B 19 -21.842 19.192 -5.980 1.00 0.00 H new ATOM 0 HG SER B 19 -22.108 17.989 -3.956 1.00 0.00 H new ATOM 521 N ASN B 20 -18.760 16.902 -5.492 1.00 0.00 N ATOM 522 CA ASN B 20 -18.627 15.477 -5.778 1.00 0.00 C ATOM 523 C ASN B 20 -17.202 15.005 -5.507 1.00 0.00 C ATOM 524 O ASN B 20 -16.258 15.793 -5.555 1.00 0.00 O ATOM 525 CB ASN B 20 -18.987 15.202 -7.239 1.00 0.00 C ATOM 526 CG ASN B 20 -17.978 15.881 -8.159 1.00 0.00 C ATOM 527 OD1 ASN B 20 -17.058 16.550 -7.687 1.00 0.00 O ATOM 528 ND2 ASN B 20 -18.093 15.746 -9.452 1.00 0.00 N ATOM 0 H ASN B 20 -17.883 17.422 -5.504 1.00 0.00 H new ATOM 0 HA ASN B 20 -19.308 14.931 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -18.996 14.128 -7.424 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -19.991 15.570 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -17.420 16.195 -10.073 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -18.856 15.192 -9.841 1.00 0.00 H new ATOM 535 N ASP B 21 -17.056 13.714 -5.225 1.00 0.00 N ATOM 536 CA ASP B 21 -15.742 13.144 -4.953 1.00 0.00 C ATOM 537 C ASP B 21 -14.935 13.013 -6.240 1.00 0.00 C ATOM 538 O ASP B 21 -13.718 12.828 -6.206 1.00 0.00 O ATOM 539 CB ASP B 21 -15.895 11.769 -4.300 1.00 0.00 C ATOM 540 CG ASP B 21 -16.437 11.925 -2.883 1.00 0.00 C ATOM 541 OD1 ASP B 21 -16.387 13.030 -2.368 1.00 0.00 O ATOM 542 OD2 ASP B 21 -16.894 10.936 -2.332 1.00 0.00 O ATOM 0 H ASP B 21 -17.826 13.047 -5.179 1.00 0.00 H new ATOM 0 HA ASP B 21 -15.211 13.812 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -16.570 11.149 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -14.932 11.259 -4.276 1.00 0.00 H new ATOM 547 N SER B 22 -15.622 13.108 -7.373 1.00 0.00 N ATOM 548 CA SER B 22 -14.959 12.999 -8.666 1.00 0.00 C ATOM 549 C SER B 22 -13.998 14.164 -8.872 1.00 0.00 C ATOM 550 O SER B 22 -13.110 14.108 -9.723 1.00 0.00 O ATOM 551 CB SER B 22 -16.000 12.985 -9.788 1.00 0.00 C ATOM 552 OG SER B 22 -17.042 12.079 -9.448 1.00 0.00 O ATOM 0 H SER B 22 -16.630 13.259 -7.422 1.00 0.00 H new ATOM 0 HA SER B 22 -14.393 12.068 -8.687 1.00 0.00 H new ATOM 0 HB2 SER B 22 -16.406 13.986 -9.936 1.00 0.00 H new ATOM 0 HB3 SER B 22 -15.535 12.687 -10.728 1.00 0.00 H new ATOM 0 HG SER B 22 -17.712 12.068 -10.163 1.00 0.00 H new ATOM 558 N SER B 23 -14.183 15.222 -8.087 1.00 0.00 N ATOM 559 CA SER B 23 -13.326 16.396 -8.194 1.00 0.00 C ATOM 560 C SER B 23 -11.871 16.027 -7.926 1.00 0.00 C ATOM 561 O SER B 23 -10.969 16.506 -8.611 1.00 0.00 O ATOM 562 CB SER B 23 -13.775 17.469 -7.201 1.00 0.00 C ATOM 563 OG SER B 23 -15.061 17.948 -7.576 1.00 0.00 O ATOM 0 H SER B 23 -14.912 15.290 -7.377 1.00 0.00 H new ATOM 0 HA SER B 23 -13.408 16.787 -9.208 1.00 0.00 H new ATOM 0 HB2 SER B 23 -13.808 17.057 -6.193 1.00 0.00 H new ATOM 0 HB3 SER B 23 -13.058 18.290 -7.187 1.00 0.00 H new ATOM 0 HG SER B 23 -15.734 17.262 -7.384 1.00 0.00 H new ATOM 569 N ASP B 24 -11.647 15.185 -6.916 1.00 0.00 N ATOM 570 CA ASP B 24 -10.291 14.758 -6.555 1.00 0.00 C ATOM 571 C ASP B 24 -10.021 13.326 -7.058 1.00 0.00 C ATOM 572 O ASP B 24 -10.435 12.364 -6.413 1.00 0.00 O ATOM 573 CB ASP B 24 -10.147 14.799 -5.030 1.00 0.00 C ATOM 574 CG ASP B 24 -10.721 16.107 -4.490 1.00 0.00 C ATOM 575 OD1 ASP B 24 -10.607 17.110 -5.177 1.00 0.00 O ATOM 576 OD2 ASP B 24 -11.266 16.087 -3.398 1.00 0.00 O ATOM 0 H ASP B 24 -12.383 14.785 -6.334 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.570 15.430 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -10.667 13.951 -4.584 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -9.097 14.710 -4.752 1.00 0.00 H new ATOM 581 N PRO B 25 -9.352 13.153 -8.185 1.00 0.00 N ATOM 582 CA PRO B 25 -9.062 11.794 -8.735 1.00 0.00 C ATOM 583 C PRO B 25 -7.929 11.090 -7.988 1.00 0.00 C ATOM 584 O PRO B 25 -7.716 9.890 -8.158 1.00 0.00 O ATOM 585 CB PRO B 25 -8.705 12.060 -10.203 1.00 0.00 C ATOM 586 CG PRO B 25 -8.140 13.447 -10.223 1.00 0.00 C ATOM 587 CD PRO B 25 -8.792 14.210 -9.057 1.00 0.00 C ATOM 0 HA PRO B 25 -9.910 11.118 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -7.980 11.334 -10.570 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -9.584 11.983 -10.843 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -7.056 13.424 -10.112 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.353 13.937 -11.173 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -8.061 14.818 -8.523 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -9.571 14.885 -9.411 1.00 0.00 H new ATOM 595 N LEU B 26 -7.188 11.850 -7.185 1.00 0.00 N ATOM 596 CA LEU B 26 -6.059 11.291 -6.443 1.00 0.00 C ATOM 597 C LEU B 26 -6.523 10.174 -5.508 1.00 0.00 C ATOM 598 O LEU B 26 -5.879 9.130 -5.410 1.00 0.00 O ATOM 599 CB LEU B 26 -5.389 12.404 -5.620 1.00 0.00 C ATOM 600 CG LEU B 26 -4.446 13.220 -6.507 1.00 0.00 C ATOM 601 CD1 LEU B 26 -5.241 13.877 -7.635 1.00 0.00 C ATOM 602 CD2 LEU B 26 -3.770 14.304 -5.666 1.00 0.00 C ATOM 0 H LEU B 26 -7.346 12.846 -7.032 1.00 0.00 H new ATOM 0 HA LEU B 26 -5.347 10.873 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -6.149 13.055 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -4.833 11.968 -4.790 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.690 12.561 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.567 14.457 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.726 13.107 -8.235 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -5.998 14.536 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -3.098 14.887 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -4.529 14.961 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.201 13.838 -4.861 1.00 0.00 H new ATOM 614 N VAL B 27 -7.638 10.396 -4.823 1.00 0.00 N ATOM 615 CA VAL B 27 -8.166 9.393 -3.902 1.00 0.00 C ATOM 616 C VAL B 27 -8.632 8.152 -4.664 1.00 0.00 C ATOM 617 O VAL B 27 -8.424 7.020 -4.223 1.00 0.00 O ATOM 618 CB VAL B 27 -9.324 9.987 -3.096 1.00 0.00 C ATOM 619 CG1 VAL B 27 -8.921 11.365 -2.555 1.00 0.00 C ATOM 620 CG2 VAL B 27 -10.560 10.130 -3.986 1.00 0.00 C ATOM 0 H VAL B 27 -8.190 11.251 -4.885 1.00 0.00 H new ATOM 0 HA VAL B 27 -7.372 9.094 -3.218 1.00 0.00 H new ATOM 0 HB VAL B 27 -9.557 9.322 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -9.747 11.786 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -8.047 11.262 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -8.682 12.027 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -11.380 10.553 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -10.331 10.789 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -10.851 9.150 -4.364 1.00 0.00 H new ATOM 630 N VAL B 28 -9.263 8.380 -5.812 1.00 0.00 N ATOM 631 CA VAL B 28 -9.760 7.282 -6.633 1.00 0.00 C ATOM 632 C VAL B 28 -8.608 6.388 -7.077 1.00 0.00 C ATOM 633 O VAL B 28 -8.705 5.162 -7.023 1.00 0.00 O ATOM 634 CB VAL B 28 -10.486 7.837 -7.862 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.896 6.686 -8.784 1.00 0.00 C ATOM 636 CG2 VAL B 28 -11.736 8.600 -7.411 1.00 0.00 C ATOM 0 H VAL B 28 -9.441 9.309 -6.193 1.00 0.00 H new ATOM 0 HA VAL B 28 -10.457 6.690 -6.039 1.00 0.00 H new ATOM 0 HB VAL B 28 -9.820 8.510 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.412 7.085 -9.657 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.007 6.143 -9.105 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.561 6.009 -8.247 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.255 8.996 -8.284 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.399 7.925 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.444 9.422 -6.758 1.00 0.00 H new ATOM 646 N ALA B 29 -7.518 7.007 -7.513 1.00 0.00 N ATOM 647 CA ALA B 29 -6.356 6.253 -7.963 1.00 0.00 C ATOM 648 C ALA B 29 -5.793 5.415 -6.820 1.00 0.00 C ATOM 649 O ALA B 29 -5.359 4.283 -7.027 1.00 0.00 O ATOM 650 CB ALA B 29 -5.275 7.209 -8.474 1.00 0.00 C ATOM 0 H ALA B 29 -7.415 8.020 -7.564 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.666 5.591 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.410 6.635 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.668 7.791 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -4.975 7.882 -7.671 1.00 0.00 H new ATOM 656 N ALA B 30 -5.806 5.972 -5.614 1.00 0.00 N ATOM 657 CA ALA B 30 -5.289 5.259 -4.452 1.00 0.00 C ATOM 658 C ALA B 30 -5.981 3.908 -4.304 1.00 0.00 C ATOM 659 O ALA B 30 -5.329 2.883 -4.119 1.00 0.00 O ATOM 660 CB ALA B 30 -5.510 6.087 -3.187 1.00 0.00 C ATOM 0 H ALA B 30 -6.165 6.906 -5.416 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.221 5.096 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.120 5.545 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -4.991 7.041 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -6.577 6.266 -3.051 1.00 0.00 H new ATOM 666 N SER B 31 -7.307 3.914 -4.394 1.00 0.00 N ATOM 667 CA SER B 31 -8.072 2.678 -4.275 1.00 0.00 C ATOM 668 C SER B 31 -7.680 1.696 -5.378 1.00 0.00 C ATOM 669 O SER B 31 -7.518 0.501 -5.132 1.00 0.00 O ATOM 670 CB SER B 31 -9.568 2.980 -4.362 1.00 0.00 C ATOM 671 OG SER B 31 -9.936 3.840 -3.294 1.00 0.00 O ATOM 0 H SER B 31 -7.869 4.751 -4.547 1.00 0.00 H new ATOM 0 HA SER B 31 -7.850 2.226 -3.308 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.801 3.448 -5.318 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.141 2.054 -4.313 1.00 0.00 H new ATOM 0 HG SER B 31 -10.894 4.037 -3.348 1.00 0.00 H new ATOM 677 N ILE B 32 -7.527 2.213 -6.594 1.00 0.00 N ATOM 678 CA ILE B 32 -7.151 1.379 -7.733 1.00 0.00 C ATOM 679 C ILE B 32 -5.761 0.785 -7.524 1.00 0.00 C ATOM 680 O ILE B 32 -5.528 -0.386 -7.817 1.00 0.00 O ATOM 681 CB ILE B 32 -7.177 2.204 -9.024 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.623 2.598 -9.344 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.616 1.368 -10.179 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.635 3.643 -10.461 1.00 0.00 C ATOM 0 H ILE B 32 -7.657 3.200 -6.816 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.871 0.565 -7.817 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.570 3.100 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.191 1.719 -9.648 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.107 2.998 -8.453 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.635 1.956 -11.097 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.589 1.080 -9.954 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.224 0.473 -10.309 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.664 3.922 -10.687 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.082 4.526 -10.139 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.167 3.227 -11.353 1.00 0.00 H new ATOM 696 N ILE B 33 -4.842 1.602 -7.026 1.00 0.00 N ATOM 697 CA ILE B 33 -3.478 1.146 -6.792 1.00 0.00 C ATOM 698 C ILE B 33 -3.454 0.003 -5.781 1.00 0.00 C ATOM 699 O ILE B 33 -2.752 -0.989 -5.975 1.00 0.00 O ATOM 700 CB ILE B 33 -2.627 2.310 -6.267 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.403 3.330 -7.389 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.271 1.796 -5.763 1.00 0.00 C ATOM 703 CD1 ILE B 33 -1.856 4.628 -6.791 1.00 0.00 C ATOM 0 H ILE B 33 -5.014 2.576 -6.778 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.069 0.785 -7.736 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.154 2.785 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.703 2.932 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.339 3.524 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.679 2.633 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.430 1.081 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.740 1.309 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.695 5.356 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.572 5.028 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.911 4.427 -6.287 1.00 0.00 H new ATOM 715 N GLY B 34 -4.213 0.147 -4.704 1.00 0.00 N ATOM 716 CA GLY B 34 -4.247 -0.889 -3.683 1.00 0.00 C ATOM 717 C GLY B 34 -4.793 -2.196 -4.246 1.00 0.00 C ATOM 718 O GLY B 34 -4.170 -3.248 -4.108 1.00 0.00 O ATOM 0 H GLY B 34 -4.804 0.957 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.243 -1.050 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.867 -0.562 -2.849 1.00 0.00 H new ATOM 722 N ILE B 35 -5.961 -2.126 -4.879 1.00 0.00 N ATOM 723 CA ILE B 35 -6.577 -3.319 -5.451 1.00 0.00 C ATOM 724 C ILE B 35 -5.743 -3.868 -6.611 1.00 0.00 C ATOM 725 O ILE B 35 -5.531 -5.074 -6.715 1.00 0.00 O ATOM 726 CB ILE B 35 -7.989 -2.988 -5.946 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.878 -2.655 -4.745 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.573 -4.194 -6.686 1.00 0.00 C ATOM 729 CD1 ILE B 35 -10.194 -2.053 -5.240 1.00 0.00 C ATOM 0 H ILE B 35 -6.495 -1.266 -5.008 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.628 -4.081 -4.673 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.945 -2.135 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -9.073 -3.555 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.369 -1.952 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.577 -3.955 -7.036 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.940 -4.439 -7.539 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.619 -5.048 -6.011 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.829 -1.815 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.988 -1.143 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.704 -2.771 -5.882 1.00 0.00 H new ATOM 741 N LEU B 36 -5.285 -2.974 -7.487 1.00 0.00 N ATOM 742 CA LEU B 36 -4.492 -3.387 -8.645 1.00 0.00 C ATOM 743 C LEU B 36 -3.186 -4.037 -8.205 1.00 0.00 C ATOM 744 O LEU B 36 -2.801 -5.096 -8.709 1.00 0.00 O ATOM 745 CB LEU B 36 -4.181 -2.164 -9.521 1.00 0.00 C ATOM 746 CG LEU B 36 -3.336 -2.571 -10.740 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.087 -3.613 -11.585 1.00 0.00 C ATOM 748 CD2 LEU B 36 -3.054 -1.327 -11.586 1.00 0.00 C ATOM 0 H LEU B 36 -5.447 -1.969 -7.419 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.070 -4.115 -9.215 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.111 -1.703 -9.854 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.647 -1.417 -8.935 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.398 -3.010 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.478 -3.892 -12.444 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.287 -4.497 -10.979 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.030 -3.190 -11.931 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.455 -1.605 -12.453 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.996 -0.893 -11.920 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.509 -0.596 -10.988 1.00 0.00 H new ATOM 760 N HIS B 37 -2.511 -3.398 -7.262 1.00 0.00 N ATOM 761 CA HIS B 37 -1.252 -3.922 -6.762 1.00 0.00 C ATOM 762 C HIS B 37 -1.461 -5.305 -6.166 1.00 0.00 C ATOM 763 O HIS B 37 -0.636 -6.201 -6.349 1.00 0.00 O ATOM 764 CB HIS B 37 -0.676 -2.989 -5.703 1.00 0.00 C ATOM 765 CG HIS B 37 0.626 -3.552 -5.215 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.828 -2.897 -5.400 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.934 -4.718 -4.566 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.796 -3.665 -4.873 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.305 -4.788 -4.349 1.00 0.00 N ATOM 0 H HIS B 37 -2.811 -2.523 -6.831 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.551 -3.993 -7.593 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.523 -1.994 -6.120 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.375 -2.883 -4.874 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.219 -5.470 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.844 -3.404 -4.874 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.823 -5.536 -3.889 1.00 0.00 H new ATOM 777 N LEU B 38 -2.563 -5.472 -5.447 1.00 0.00 N ATOM 778 CA LEU B 38 -2.863 -6.752 -4.818 1.00 0.00 C ATOM 779 C LEU B 38 -3.017 -7.851 -5.858 1.00 0.00 C ATOM 780 O LEU B 38 -2.573 -8.972 -5.646 1.00 0.00 O ATOM 781 CB LEU B 38 -4.148 -6.644 -3.973 1.00 0.00 C ATOM 782 CG LEU B 38 -3.825 -6.156 -2.548 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.131 -5.782 -1.827 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.095 -7.267 -1.755 1.00 0.00 C ATOM 0 H LEU B 38 -3.259 -4.744 -5.285 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.027 -7.011 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.845 -5.955 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.641 -7.615 -3.927 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.176 -5.282 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.904 -5.437 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.636 -4.988 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.780 -6.656 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.872 -6.910 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.732 -8.149 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.166 -7.525 -2.262 1.00 0.00 H new ATOM 796 N ILE B 39 -3.649 -7.546 -6.972 1.00 0.00 N ATOM 797 CA ILE B 39 -3.836 -8.562 -7.997 1.00 0.00 C ATOM 798 C ILE B 39 -2.486 -9.100 -8.458 1.00 0.00 C ATOM 799 O ILE B 39 -2.280 -10.310 -8.514 1.00 0.00 O ATOM 800 CB ILE B 39 -4.587 -7.959 -9.183 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.020 -7.632 -8.755 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.612 -8.955 -10.347 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.707 -6.789 -9.832 1.00 0.00 C ATOM 0 H ILE B 39 -4.035 -6.628 -7.192 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.417 -9.385 -7.581 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.082 -7.049 -9.507 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.579 -8.553 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.012 -7.092 -7.808 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.149 -8.518 -11.189 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.591 -9.187 -10.649 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.114 -9.870 -10.032 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.726 -6.560 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.154 -5.860 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.730 -7.345 -10.769 1.00 0.00 H new ATOM 815 N LEU B 40 -1.567 -8.198 -8.780 1.00 0.00 N ATOM 816 CA LEU B 40 -0.242 -8.615 -9.230 1.00 0.00 C ATOM 817 C LEU B 40 0.569 -9.237 -8.089 1.00 0.00 C ATOM 818 O LEU B 40 1.245 -10.249 -8.280 1.00 0.00 O ATOM 819 CB LEU B 40 0.510 -7.415 -9.799 1.00 0.00 C ATOM 820 CG LEU B 40 -0.362 -6.719 -10.849 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.392 -5.508 -11.402 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.691 -7.696 -11.991 1.00 0.00 C ATOM 0 H LEU B 40 -1.709 -7.189 -8.740 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.372 -9.372 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.762 -6.718 -9.000 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.449 -7.740 -10.247 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.294 -6.392 -10.389 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.223 -5.007 -12.150 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.612 -4.815 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.324 -5.838 -11.860 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.311 -7.193 -12.733 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.234 -8.033 -12.459 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.229 -8.555 -11.591 1.00 0.00 H new ATOM 834 N TRP B 41 0.510 -8.622 -6.911 1.00 0.00 N ATOM 835 CA TRP B 41 1.257 -9.123 -5.757 1.00 0.00 C ATOM 836 C TRP B 41 0.719 -10.478 -5.288 1.00 0.00 C ATOM 837 O TRP B 41 1.493 -11.368 -4.934 1.00 0.00 O ATOM 838 CB TRP B 41 1.235 -8.086 -4.625 1.00 0.00 C ATOM 839 CG TRP B 41 1.891 -8.647 -3.400 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.227 -8.678 -3.174 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.265 -9.179 -2.197 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.457 -9.254 -1.934 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.277 -9.569 -1.294 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.070 -9.376 -1.815 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.972 -10.135 -0.058 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.379 -9.936 -0.564 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.642 -10.316 0.309 1.00 0.00 C ATOM 0 H TRP B 41 -0.041 -7.783 -6.729 1.00 0.00 H new ATOM 0 HA TRP B 41 2.293 -9.280 -6.058 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.752 -7.180 -4.941 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.207 -7.804 -4.400 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.987 -8.314 -3.849 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.384 -9.424 -1.544 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.867 -9.095 -2.488 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.765 -10.432 0.613 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.411 -10.073 -0.276 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.400 -10.750 1.268 1.00 0.00 H new ATOM 858 N ILE B 42 -0.603 -10.635 -5.299 1.00 0.00 N ATOM 859 CA ILE B 42 -1.219 -11.897 -4.880 1.00 0.00 C ATOM 860 C ILE B 42 -0.789 -13.036 -5.807 1.00 0.00 C ATOM 861 O ILE B 42 -0.412 -14.112 -5.343 1.00 0.00 O ATOM 862 CB ILE B 42 -2.754 -11.754 -4.905 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.214 -10.923 -3.703 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.424 -13.133 -4.856 1.00 0.00 C ATOM 865 CD1 ILE B 42 -4.670 -10.503 -3.902 1.00 0.00 C ATOM 0 H ILE B 42 -1.264 -9.914 -5.590 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.891 -12.131 -3.867 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.041 -11.255 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.114 -11.504 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.582 -10.042 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.507 -13.012 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.110 -13.721 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.132 -13.647 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.998 -9.912 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.756 -9.907 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.296 -11.391 -3.991 1.00 0.00 H new ATOM 877 N LEU B 43 -0.838 -12.791 -7.111 1.00 0.00 N ATOM 878 CA LEU B 43 -0.442 -13.805 -8.084 1.00 0.00 C ATOM 879 C LEU B 43 1.052 -14.106 -7.964 1.00 0.00 C ATOM 880 O LEU B 43 1.473 -15.252 -8.120 1.00 0.00 O ATOM 881 CB LEU B 43 -0.790 -13.348 -9.521 1.00 0.00 C ATOM 882 CG LEU B 43 -2.200 -13.818 -9.928 1.00 0.00 C ATOM 883 CD1 LEU B 43 -3.277 -13.076 -9.128 1.00 0.00 C ATOM 884 CD2 LEU B 43 -2.399 -13.549 -11.420 1.00 0.00 C ATOM 0 H LEU B 43 -1.145 -11.907 -7.518 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.997 -14.719 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.734 -12.261 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.055 -13.746 -10.220 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.291 -14.884 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -4.263 -13.426 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -3.138 -13.269 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -3.197 -12.005 -9.316 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.394 -13.878 -11.719 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.296 -12.481 -11.614 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -1.649 -14.096 -11.991 1.00 0.00 H new ATOM 896 N ASP B 44 1.847 -13.075 -7.701 1.00 0.00 N ATOM 897 CA ASP B 44 3.288 -13.258 -7.585 1.00 0.00 C ATOM 898 C ASP B 44 3.597 -14.358 -6.574 1.00 0.00 C ATOM 899 O ASP B 44 4.374 -15.270 -6.856 1.00 0.00 O ATOM 900 CB ASP B 44 3.940 -11.950 -7.134 1.00 0.00 C ATOM 901 CG ASP B 44 5.456 -12.106 -7.100 1.00 0.00 C ATOM 902 OD1 ASP B 44 5.921 -13.219 -7.288 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.130 -11.112 -6.886 1.00 0.00 O ATOM 0 H ASP B 44 1.524 -12.117 -7.566 1.00 0.00 H new ATOM 0 HA ASP B 44 3.687 -13.546 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.665 -11.144 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.573 -11.673 -6.146 1.00 0.00 H new ATOM 908 N ARG B 45 2.974 -14.278 -5.403 1.00 0.00 N ATOM 909 CA ARG B 45 3.182 -15.288 -4.369 1.00 0.00 C ATOM 910 C ARG B 45 2.654 -16.647 -4.815 1.00 0.00 C ATOM 911 O ARG B 45 3.205 -17.686 -4.452 1.00 0.00 O ATOM 912 CB ARG B 45 2.492 -14.874 -3.068 1.00 0.00 C ATOM 913 CG ARG B 45 3.252 -13.712 -2.432 1.00 0.00 C ATOM 914 CD ARG B 45 2.514 -13.250 -1.176 1.00 0.00 C ATOM 915 NE ARG B 45 2.448 -14.337 -0.205 1.00 0.00 N ATOM 916 CZ ARG B 45 1.763 -14.207 0.925 1.00 0.00 C ATOM 917 NH1 ARG B 45 1.143 -13.088 1.186 1.00 0.00 N ATOM 918 NH2 ARG B 45 1.713 -15.194 1.777 1.00 0.00 N ATOM 0 H ARG B 45 2.327 -13.532 -5.147 1.00 0.00 H new ATOM 0 HA ARG B 45 4.255 -15.369 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG B 45 1.461 -14.581 -3.268 1.00 0.00 H new ATOM 0 HB3 ARG B 45 2.455 -15.718 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG B 45 4.266 -14.022 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG B 45 3.338 -12.888 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG B 45 3.025 -12.392 -0.739 1.00 0.00 H new ATOM 0 HD3 ARG B 45 1.507 -12.923 -1.436 1.00 0.00 H new ATOM 0 HE ARG B 45 2.936 -15.212 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG B 45 1.185 -12.315 0.522 1.00 0.00 H new ATOM 0 HH12 ARG B 45 0.616 -12.987 2.054 1.00 0.00 H new ATOM 0 HH21 ARG B 45 2.201 -16.067 1.575 1.00 0.00 H new ATOM 0 HH22 ARG B 45 1.186 -15.093 2.645 1.00 0.00 H new ATOM 932 N LEU B 46 1.567 -16.638 -5.580 1.00 0.00 N ATOM 933 CA LEU B 46 0.960 -17.884 -6.038 1.00 0.00 C ATOM 934 C LEU B 46 1.966 -18.682 -6.877 1.00 0.00 C ATOM 935 O LEU B 46 2.115 -19.890 -6.702 1.00 0.00 O ATOM 936 CB LEU B 46 -0.295 -17.562 -6.875 1.00 0.00 C ATOM 937 CG LEU B 46 -1.317 -18.707 -6.791 1.00 0.00 C ATOM 938 CD1 LEU B 46 -2.500 -18.390 -7.708 1.00 0.00 C ATOM 939 CD2 LEU B 46 -0.675 -20.032 -7.220 1.00 0.00 C ATOM 0 H LEU B 46 1.092 -15.792 -5.894 1.00 0.00 H new ATOM 0 HA LEU B 46 0.673 -18.486 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -0.748 -16.637 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -0.012 -17.397 -7.915 1.00 0.00 H new ATOM 0 HG LEU B 46 -1.659 -18.804 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.229 -19.198 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -2.967 -17.458 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -2.148 -18.288 -8.734 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -1.413 -20.832 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -0.320 -19.949 -8.247 1.00 0.00 H new ATOM 0 HD23 LEU B 46 0.165 -20.259 -6.564 1.00 0.00 H new ATOM 951 N PHE B 47 2.666 -17.996 -7.777 1.00 0.00 N ATOM 952 CA PHE B 47 3.652 -18.665 -8.620 1.00 0.00 C ATOM 953 C PHE B 47 4.752 -19.289 -7.767 1.00 0.00 C ATOM 954 O PHE B 47 5.124 -20.445 -7.968 1.00 0.00 O ATOM 955 CB PHE B 47 4.272 -17.668 -9.601 1.00 0.00 C ATOM 956 CG PHE B 47 3.263 -17.312 -10.668 1.00 0.00 C ATOM 957 CD1 PHE B 47 2.874 -18.276 -11.606 1.00 0.00 C ATOM 958 CD2 PHE B 47 2.720 -16.022 -10.727 1.00 0.00 C ATOM 959 CE1 PHE B 47 1.944 -17.954 -12.599 1.00 0.00 C ATOM 960 CE2 PHE B 47 1.790 -15.699 -11.722 1.00 0.00 C ATOM 961 CZ PHE B 47 1.402 -16.666 -12.657 1.00 0.00 C ATOM 0 H PHE B 47 2.571 -16.994 -7.940 1.00 0.00 H new ATOM 0 HA PHE B 47 3.145 -19.453 -9.177 1.00 0.00 H new ATOM 0 HB2 PHE B 47 4.588 -16.770 -9.071 1.00 0.00 H new ATOM 0 HB3 PHE B 47 5.163 -18.098 -10.058 1.00 0.00 H new ATOM 0 HD1 PHE B 47 3.293 -19.270 -11.562 1.00 0.00 H new ATOM 0 HD2 PHE B 47 3.019 -15.277 -10.005 1.00 0.00 H new ATOM 0 HE1 PHE B 47 1.644 -18.699 -13.321 1.00 0.00 H new ATOM 0 HE2 PHE B 47 1.372 -14.704 -11.768 1.00 0.00 H new ATOM 0 HZ PHE B 47 0.683 -16.417 -13.424 1.00 0.00 H new ATOM 971 N PHE B 48 5.265 -18.521 -6.812 1.00 0.00 N ATOM 972 CA PHE B 48 6.319 -19.014 -5.929 1.00 0.00 C ATOM 973 C PHE B 48 6.308 -18.259 -4.605 1.00 0.00 C ATOM 974 O PHE B 48 5.801 -17.140 -4.522 1.00 0.00 O ATOM 975 CB PHE B 48 7.684 -18.855 -6.604 1.00 0.00 C ATOM 976 CG PHE B 48 7.756 -19.765 -7.808 1.00 0.00 C ATOM 977 CD1 PHE B 48 7.945 -21.142 -7.632 1.00 0.00 C ATOM 978 CD2 PHE B 48 7.637 -19.237 -9.100 1.00 0.00 C ATOM 979 CE1 PHE B 48 8.014 -21.988 -8.744 1.00 0.00 C ATOM 980 CE2 PHE B 48 7.706 -20.084 -10.212 1.00 0.00 C ATOM 981 CZ PHE B 48 7.895 -21.459 -10.035 1.00 0.00 C ATOM 0 H PHE B 48 4.972 -17.561 -6.629 1.00 0.00 H new ATOM 0 HA PHE B 48 6.136 -20.070 -5.730 1.00 0.00 H new ATOM 0 HB2 PHE B 48 7.834 -17.819 -6.908 1.00 0.00 H new ATOM 0 HB3 PHE B 48 8.481 -19.099 -5.901 1.00 0.00 H new ATOM 0 HD1 PHE B 48 8.038 -21.551 -6.637 1.00 0.00 H new ATOM 0 HD2 PHE B 48 7.492 -18.176 -9.238 1.00 0.00 H new ATOM 0 HE1 PHE B 48 8.159 -23.049 -8.607 1.00 0.00 H new ATOM 0 HE2 PHE B 48 7.613 -19.676 -11.208 1.00 0.00 H new ATOM 0 HZ PHE B 48 7.949 -22.112 -10.894 1.00 0.00 H new ATOM 991 N LYS B 49 6.869 -18.877 -3.570 1.00 0.00 N ATOM 992 CA LYS B 49 6.916 -18.249 -2.256 1.00 0.00 C ATOM 993 C LYS B 49 5.537 -17.723 -1.865 1.00 0.00 C ATOM 994 O LYS B 49 5.260 -16.572 -2.157 1.00 0.00 O ATOM 995 CB LYS B 49 7.924 -17.097 -2.264 1.00 0.00 C ATOM 996 CG LYS B 49 8.050 -16.508 -0.858 1.00 0.00 C ATOM 997 CD LYS B 49 9.092 -15.389 -0.862 1.00 0.00 C ATOM 998 CE LYS B 49 9.219 -14.805 0.546 1.00 0.00 C ATOM 999 NZ LYS B 49 9.729 -15.852 1.474 1.00 0.00 N ATOM 1000 OXT LYS B 49 4.780 -18.481 -1.283 1.00 0.00 O ATOM 0 H LYS B 49 7.293 -19.803 -3.615 1.00 0.00 H new ATOM 0 HA LYS B 49 7.227 -18.996 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS B 49 8.895 -17.454 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.603 -16.326 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS B 49 7.086 -16.120 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS B 49 8.340 -17.286 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS B 49 10.055 -15.776 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS B 49 8.801 -14.609 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS B 49 9.896 -13.951 0.537 1.00 0.00 H new ATOM 0 HE3 LYS B 49 8.251 -14.441 0.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.864 -15.442 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 9.043 -16.631 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 10.638 -16.215 1.122 1.00 0.00 H new TER 1014 LYS B 49 ATOM 1015 N SER C 19 -9.992 26.070 1.921 1.00 0.00 N ATOM 1016 CA SER C 19 -10.927 25.673 0.831 1.00 0.00 C ATOM 1017 C SER C 19 -10.143 24.994 -0.287 1.00 0.00 C ATOM 1018 O SER C 19 -10.343 25.289 -1.464 1.00 0.00 O ATOM 1019 CB SER C 19 -11.633 26.918 0.291 1.00 0.00 C ATOM 1020 OG SER C 19 -12.674 26.520 -0.593 1.00 0.00 O ATOM 0 HA SER C 19 -11.671 24.978 1.219 1.00 0.00 H new ATOM 0 HB2 SER C 19 -12.043 27.504 1.114 1.00 0.00 H new ATOM 0 HB3 SER C 19 -10.921 27.557 -0.231 1.00 0.00 H new ATOM 0 HG SER C 19 -12.310 25.921 -1.278 1.00 0.00 H new ATOM 1028 N ASN C 20 -9.255 24.080 0.090 1.00 0.00 N ATOM 1029 CA ASN C 20 -8.449 23.361 -0.892 1.00 0.00 C ATOM 1030 C ASN C 20 -7.923 22.056 -0.303 1.00 0.00 C ATOM 1031 O ASN C 20 -7.777 21.925 0.913 1.00 0.00 O ATOM 1032 CB ASN C 20 -7.269 24.230 -1.335 1.00 0.00 C ATOM 1033 CG ASN C 20 -6.330 24.472 -0.160 1.00 0.00 C ATOM 1034 OD1 ASN C 20 -6.593 24.008 0.951 1.00 0.00 O ATOM 1035 ND2 ASN C 20 -5.245 25.173 -0.337 1.00 0.00 N ATOM 0 H ASN C 20 -9.075 23.821 1.060 1.00 0.00 H new ATOM 0 HA ASN C 20 -9.079 23.132 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -6.731 23.740 -2.146 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -7.633 25.182 -1.722 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -4.611 25.338 0.445 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -5.030 25.556 -1.258 1.00 0.00 H new ATOM 1042 N ASP C 21 -7.637 21.093 -1.175 1.00 0.00 N ATOM 1043 CA ASP C 21 -7.124 19.801 -0.734 1.00 0.00 C ATOM 1044 C ASP C 21 -5.668 19.920 -0.300 1.00 0.00 C ATOM 1045 O ASP C 21 -5.132 19.035 0.366 1.00 0.00 O ATOM 1046 CB ASP C 21 -7.242 18.779 -1.865 1.00 0.00 C ATOM 1047 CG ASP C 21 -8.708 18.435 -2.105 1.00 0.00 C ATOM 1048 OD1 ASP C 21 -9.516 18.738 -1.242 1.00 0.00 O ATOM 1049 OD2 ASP C 21 -9.002 17.872 -3.147 1.00 0.00 O ATOM 0 H ASP C 21 -7.751 21.182 -2.185 1.00 0.00 H new ATOM 0 HA ASP C 21 -7.716 19.468 0.118 1.00 0.00 H new ATOM 0 HB2 ASP C 21 -6.800 19.181 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP C 21 -6.685 17.877 -1.611 1.00 0.00 H new ATOM 1054 N SER C 22 -5.032 21.023 -0.684 1.00 0.00 N ATOM 1055 CA SER C 22 -3.636 21.249 -0.331 1.00 0.00 C ATOM 1056 C SER C 22 -3.489 21.403 1.178 1.00 0.00 C ATOM 1057 O SER C 22 -2.392 21.274 1.721 1.00 0.00 O ATOM 1058 CB SER C 22 -3.117 22.506 -1.031 1.00 0.00 C ATOM 1059 OG SER C 22 -3.502 22.474 -2.400 1.00 0.00 O ATOM 0 H SER C 22 -5.458 21.768 -1.235 1.00 0.00 H new ATOM 0 HA SER C 22 -3.051 20.389 -0.656 1.00 0.00 H new ATOM 0 HB2 SER C 22 -3.519 23.397 -0.549 1.00 0.00 H new ATOM 0 HB3 SER C 22 -2.032 22.561 -0.948 1.00 0.00 H new ATOM 0 HG SER C 22 -3.172 23.279 -2.851 1.00 0.00 H new ATOM 1065 N SER C 23 -4.601 21.680 1.851 1.00 0.00 N ATOM 1066 CA SER C 23 -4.583 21.851 3.299 1.00 0.00 C ATOM 1067 C SER C 23 -4.082 20.586 3.985 1.00 0.00 C ATOM 1068 O SER C 23 -3.311 20.657 4.940 1.00 0.00 O ATOM 1069 CB SER C 23 -5.984 22.192 3.807 1.00 0.00 C ATOM 1070 OG SER C 23 -6.368 23.468 3.313 1.00 0.00 O ATOM 0 H SER C 23 -5.519 21.790 1.421 1.00 0.00 H new ATOM 0 HA SER C 23 -3.905 22.670 3.537 1.00 0.00 H new ATOM 0 HB2 SER C 23 -6.696 21.434 3.480 1.00 0.00 H new ATOM 0 HB3 SER C 23 -5.997 22.193 4.897 1.00 0.00 H new ATOM 0 HG SER C 23 -6.451 23.430 2.337 1.00 0.00 H new ATOM 1076 N ASP C 24 -4.535 19.427 3.501 1.00 0.00 N ATOM 1077 CA ASP C 24 -4.132 18.142 4.078 1.00 0.00 C ATOM 1078 C ASP C 24 -3.085 17.451 3.184 1.00 0.00 C ATOM 1079 O ASP C 24 -3.451 16.828 2.187 1.00 0.00 O ATOM 1080 CB ASP C 24 -5.368 17.245 4.207 1.00 0.00 C ATOM 1081 CG ASP C 24 -6.524 18.037 4.814 1.00 0.00 C ATOM 1082 OD1 ASP C 24 -6.259 18.893 5.642 1.00 0.00 O ATOM 1083 OD2 ASP C 24 -7.657 17.776 4.443 1.00 0.00 O ATOM 0 H ASP C 24 -5.179 19.352 2.714 1.00 0.00 H new ATOM 0 HA ASP C 24 -3.689 18.315 5.059 1.00 0.00 H new ATOM 0 HB2 ASP C 24 -5.653 16.861 3.228 1.00 0.00 H new ATOM 0 HB3 ASP C 24 -5.138 16.383 4.833 1.00 0.00 H new ATOM 1088 N PRO C 25 -1.804 17.545 3.495 1.00 0.00 N ATOM 1089 CA PRO C 25 -0.739 16.907 2.666 1.00 0.00 C ATOM 1090 C PRO C 25 -0.650 15.396 2.887 1.00 0.00 C ATOM 1091 O PRO C 25 0.010 14.688 2.127 1.00 0.00 O ATOM 1092 CB PRO C 25 0.545 17.627 3.102 1.00 0.00 C ATOM 1093 CG PRO C 25 0.295 18.053 4.515 1.00 0.00 C ATOM 1094 CD PRO C 25 -1.223 18.252 4.657 1.00 0.00 C ATOM 0 HA PRO C 25 -0.936 17.006 1.598 1.00 0.00 H new ATOM 0 HB2 PRO C 25 1.409 16.966 3.037 1.00 0.00 H new ATOM 0 HB3 PRO C 25 0.752 18.485 2.463 1.00 0.00 H new ATOM 0 HG2 PRO C 25 0.653 17.298 5.215 1.00 0.00 H new ATOM 0 HG3 PRO C 25 0.829 18.976 4.741 1.00 0.00 H new ATOM 0 HD2 PRO C 25 -1.591 17.839 5.596 1.00 0.00 H new ATOM 0 HD3 PRO C 25 -1.486 19.310 4.649 1.00 0.00 H new ATOM 1102 N LEU C 26 -1.295 14.915 3.947 1.00 0.00 N ATOM 1103 CA LEU C 26 -1.258 13.491 4.274 1.00 0.00 C ATOM 1104 C LEU C 26 -1.834 12.654 3.129 1.00 0.00 C ATOM 1105 O LEU C 26 -1.277 11.616 2.772 1.00 0.00 O ATOM 1106 CB LEU C 26 -2.075 13.240 5.553 1.00 0.00 C ATOM 1107 CG LEU C 26 -1.236 13.582 6.789 1.00 0.00 C ATOM 1108 CD1 LEU C 26 -0.848 15.061 6.753 1.00 0.00 C ATOM 1109 CD2 LEU C 26 -2.056 13.303 8.051 1.00 0.00 C ATOM 0 H LEU C 26 -1.845 15.484 4.590 1.00 0.00 H new ATOM 0 HA LEU C 26 -0.220 13.197 4.430 1.00 0.00 H new ATOM 0 HB2 LEU C 26 -2.981 13.846 5.540 1.00 0.00 H new ATOM 0 HB3 LEU C 26 -2.389 12.197 5.594 1.00 0.00 H new ATOM 0 HG LEU C 26 -0.333 12.971 6.795 1.00 0.00 H new ATOM 0 HD11 LEU C 26 -0.251 15.302 7.633 1.00 0.00 H new ATOM 0 HD12 LEU C 26 -0.266 15.263 5.854 1.00 0.00 H new ATOM 0 HD13 LEU C 26 -1.750 15.674 6.747 1.00 0.00 H new ATOM 0 HD21 LEU C 26 -1.462 13.545 8.932 1.00 0.00 H new ATOM 0 HD22 LEU C 26 -2.958 13.915 8.042 1.00 0.00 H new ATOM 0 HD23 LEU C 26 -2.333 12.249 8.079 1.00 0.00 H new ATOM 1121 N VAL C 27 -2.943 13.108 2.557 1.00 0.00 N ATOM 1122 CA VAL C 27 -3.570 12.382 1.454 1.00 0.00 C ATOM 1123 C VAL C 27 -2.671 12.401 0.218 1.00 0.00 C ATOM 1124 O VAL C 27 -2.549 11.402 -0.493 1.00 0.00 O ATOM 1125 CB VAL C 27 -4.931 13.006 1.122 1.00 0.00 C ATOM 1126 CG1 VAL C 27 -5.730 13.199 2.416 1.00 0.00 C ATOM 1127 CG2 VAL C 27 -4.729 14.361 0.440 1.00 0.00 C ATOM 0 H VAL C 27 -3.423 13.965 2.833 1.00 0.00 H new ATOM 0 HA VAL C 27 -3.717 11.346 1.760 1.00 0.00 H new ATOM 0 HB VAL C 27 -5.476 12.344 0.449 1.00 0.00 H new ATOM 0 HG11 VAL C 27 -6.698 13.642 2.183 1.00 0.00 H new ATOM 0 HG12 VAL C 27 -5.880 12.233 2.899 1.00 0.00 H new ATOM 0 HG13 VAL C 27 -5.181 13.859 3.088 1.00 0.00 H new ATOM 0 HG21 VAL C 27 -5.699 14.799 0.207 1.00 0.00 H new ATOM 0 HG22 VAL C 27 -4.182 15.026 1.108 1.00 0.00 H new ATOM 0 HG23 VAL C 27 -4.162 14.224 -0.481 1.00 0.00 H new ATOM 1137 N VAL C 28 -2.047 13.549 -0.029 1.00 0.00 N ATOM 1138 CA VAL C 28 -1.166 13.697 -1.178 1.00 0.00 C ATOM 1139 C VAL C 28 -0.001 12.717 -1.086 1.00 0.00 C ATOM 1140 O VAL C 28 0.355 12.067 -2.068 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.629 15.130 -1.244 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.391 15.248 -2.379 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.788 16.095 -1.497 1.00 0.00 C ATOM 0 H VAL C 28 -2.136 14.385 0.549 1.00 0.00 H new ATOM 0 HA VAL C 28 -1.736 13.483 -2.082 1.00 0.00 H new ATOM 0 HB VAL C 28 -0.146 15.379 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL C 28 0.770 16.269 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.218 14.561 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL C 28 -0.088 14.998 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -1.408 17.116 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -2.271 15.844 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -2.512 16.015 -0.686 1.00 0.00 H new ATOM 1153 N ALA C 29 0.587 12.614 0.101 1.00 0.00 N ATOM 1154 CA ALA C 29 1.709 11.708 0.303 1.00 0.00 C ATOM 1155 C ALA C 29 1.280 10.265 0.049 1.00 0.00 C ATOM 1156 O ALA C 29 2.038 9.475 -0.510 1.00 0.00 O ATOM 1157 CB ALA C 29 2.237 11.839 1.734 1.00 0.00 C ATOM 0 H ALA C 29 0.309 13.141 0.929 1.00 0.00 H new ATOM 0 HA ALA C 29 2.498 11.973 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.076 11.158 1.876 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.568 12.863 1.907 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.444 11.590 2.439 1.00 0.00 H new ATOM 1163 N ALA C 30 0.062 9.930 0.459 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.447 8.577 0.267 1.00 0.00 C ATOM 1165 C ALA C 30 -0.367 8.180 -1.203 1.00 0.00 C ATOM 1166 O ALA C 30 0.113 7.098 -1.537 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.899 8.493 0.742 1.00 0.00 C ATOM 0 H ALA C 30 -0.585 10.568 0.921 1.00 0.00 H new ATOM 0 HA ALA C 30 0.166 7.891 0.852 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.272 7.479 0.595 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -1.951 8.749 1.800 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.510 9.191 0.169 1.00 0.00 H new ATOM 1173 N SER C 31 -0.835 9.064 -2.078 1.00 0.00 N ATOM 1174 CA SER C 31 -0.801 8.792 -3.512 1.00 0.00 C ATOM 1175 C SER C 31 0.639 8.601 -3.988 1.00 0.00 C ATOM 1176 O SER C 31 0.928 7.703 -4.777 1.00 0.00 O ATOM 1177 CB SER C 31 -1.446 9.945 -4.277 1.00 0.00 C ATOM 1178 OG SER C 31 -2.803 10.075 -3.876 1.00 0.00 O ATOM 0 H SER C 31 -1.238 9.966 -1.824 1.00 0.00 H new ATOM 0 HA SER C 31 -1.358 7.875 -3.703 1.00 0.00 H new ATOM 0 HB2 SER C 31 -0.907 10.872 -4.082 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.388 9.762 -5.350 1.00 0.00 H new ATOM 0 HG SER C 31 -3.332 10.429 -4.621 1.00 0.00 H new ATOM 1184 N ILE C 32 1.535 9.454 -3.498 1.00 0.00 N ATOM 1185 CA ILE C 32 2.943 9.375 -3.877 1.00 0.00 C ATOM 1186 C ILE C 32 3.549 8.056 -3.404 1.00 0.00 C ATOM 1187 O ILE C 32 4.312 7.420 -4.128 1.00 0.00 O ATOM 1188 CB ILE C 32 3.719 10.551 -3.277 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.256 11.853 -3.936 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.218 10.364 -3.536 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.815 13.049 -3.162 1.00 0.00 C ATOM 0 H ILE C 32 1.313 10.203 -2.842 1.00 0.00 H new ATOM 0 HA ILE C 32 3.011 9.422 -4.964 1.00 0.00 H new ATOM 0 HB ILE C 32 3.536 10.594 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.593 11.888 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.167 11.896 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.768 11.202 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.554 9.436 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.399 10.321 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.484 13.974 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.456 13.017 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE C 32 4.904 13.009 -3.167 1.00 0.00 H new ATOM 1203 N ILE C 33 3.213 7.659 -2.183 1.00 0.00 N ATOM 1204 CA ILE C 33 3.739 6.420 -1.623 1.00 0.00 C ATOM 1205 C ILE C 33 3.308 5.222 -2.463 1.00 0.00 C ATOM 1206 O ILE C 33 4.112 4.333 -2.745 1.00 0.00 O ATOM 1207 CB ILE C 33 3.231 6.248 -0.184 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.898 7.286 0.722 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.550 4.836 0.328 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.155 7.343 2.058 1.00 0.00 C ATOM 0 H ILE C 33 2.584 8.172 -1.566 1.00 0.00 H new ATOM 0 HA ILE C 33 4.828 6.473 -1.625 1.00 0.00 H new ATOM 0 HB ILE C 33 2.151 6.392 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.944 7.025 0.885 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.885 8.265 0.243 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.184 4.728 1.349 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.064 4.099 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.628 4.677 0.310 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.627 8.081 2.706 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.116 7.624 1.885 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.191 6.364 2.537 1.00 0.00 H new ATOM 1222 N GLY C 34 2.043 5.195 -2.857 1.00 0.00 N ATOM 1223 CA GLY C 34 1.542 4.086 -3.655 1.00 0.00 C ATOM 1224 C GLY C 34 2.261 4.008 -4.997 1.00 0.00 C ATOM 1225 O GLY C 34 2.776 2.957 -5.373 1.00 0.00 O ATOM 0 H GLY C 34 1.354 5.916 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.678 3.151 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.471 4.206 -3.819 1.00 0.00 H new ATOM 1229 N ILE C 35 2.289 5.125 -5.718 1.00 0.00 N ATOM 1230 CA ILE C 35 2.949 5.162 -7.020 1.00 0.00 C ATOM 1231 C ILE C 35 4.459 4.962 -6.881 1.00 0.00 C ATOM 1232 O ILE C 35 5.066 4.216 -7.646 1.00 0.00 O ATOM 1233 CB ILE C 35 2.668 6.503 -7.706 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.179 6.596 -8.042 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.482 6.602 -9.000 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.840 8.027 -8.460 1.00 0.00 C ATOM 0 H ILE C 35 1.868 6.007 -5.428 1.00 0.00 H new ATOM 0 HA ILE C 35 2.551 4.348 -7.626 1.00 0.00 H new ATOM 0 HB ILE C 35 2.949 7.316 -7.037 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.933 5.903 -8.846 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.581 6.307 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.280 7.557 -9.485 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.545 6.531 -8.768 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.202 5.789 -9.669 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.221 8.094 -8.700 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.071 8.709 -7.642 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.428 8.299 -9.337 1.00 0.00 H new ATOM 1248 N LEU C 36 5.061 5.646 -5.909 1.00 0.00 N ATOM 1249 CA LEU C 36 6.505 5.548 -5.694 1.00 0.00 C ATOM 1250 C LEU C 36 6.901 4.127 -5.319 1.00 0.00 C ATOM 1251 O LEU C 36 7.861 3.570 -5.858 1.00 0.00 O ATOM 1252 CB LEU C 36 6.925 6.509 -4.573 1.00 0.00 C ATOM 1253 CG LEU C 36 8.439 6.413 -4.319 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.217 6.768 -5.598 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.816 7.387 -3.198 1.00 0.00 C ATOM 0 H LEU C 36 4.577 6.269 -5.263 1.00 0.00 H new ATOM 0 HA LEU C 36 7.011 5.817 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.660 7.531 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.381 6.270 -3.659 1.00 0.00 H new ATOM 0 HG LEU C 36 8.694 5.394 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.287 6.696 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU C 36 8.945 6.075 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.971 7.785 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.888 7.327 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.556 8.403 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.273 7.125 -2.290 1.00 0.00 H new ATOM 1267 N HIS C 37 6.155 3.544 -4.391 1.00 0.00 N ATOM 1268 CA HIS C 37 6.440 2.189 -3.953 1.00 0.00 C ATOM 1269 C HIS C 37 6.350 1.227 -5.128 1.00 0.00 C ATOM 1270 O HIS C 37 7.159 0.309 -5.252 1.00 0.00 O ATOM 1271 CB HIS C 37 5.453 1.769 -2.867 1.00 0.00 C ATOM 1272 CG HIS C 37 5.780 0.373 -2.428 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.200 0.081 -1.144 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.772 -0.821 -3.098 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.429 -1.243 -1.084 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.182 -1.840 -2.247 1.00 0.00 N ATOM 0 H HIS C 37 5.357 3.984 -3.932 1.00 0.00 H new ATOM 0 HA HIS C 37 7.451 2.160 -3.547 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.510 2.453 -2.021 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.432 1.816 -3.247 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.490 -0.951 -4.132 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.772 -1.759 -0.199 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.274 -2.832 -2.467 1.00 0.00 H new ATOM 1284 N LEU C 38 5.357 1.438 -5.982 1.00 0.00 N ATOM 1285 CA LEU C 38 5.166 0.573 -7.138 1.00 0.00 C ATOM 1286 C LEU C 38 6.370 0.625 -8.066 1.00 0.00 C ATOM 1287 O LEU C 38 6.776 -0.392 -8.612 1.00 0.00 O ATOM 1288 CB LEU C 38 3.896 0.983 -7.909 1.00 0.00 C ATOM 1289 CG LEU C 38 2.655 0.280 -7.329 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.387 0.922 -7.911 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.683 -1.227 -7.680 1.00 0.00 C ATOM 0 H LEU C 38 4.677 2.194 -5.897 1.00 0.00 H new ATOM 0 HA LEU C 38 5.053 -0.449 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.766 2.064 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.006 0.727 -8.963 1.00 0.00 H new ATOM 0 HG LEU C 38 2.657 0.389 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.507 0.426 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.362 1.980 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.391 0.817 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.801 -1.714 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.688 -1.348 -8.763 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.580 -1.682 -7.260 1.00 0.00 H new ATOM 1303 N ILE C 39 6.939 1.798 -8.256 1.00 0.00 N ATOM 1304 CA ILE C 39 8.085 1.908 -9.143 1.00 0.00 C ATOM 1305 C ILE C 39 9.217 1.011 -8.654 1.00 0.00 C ATOM 1306 O ILE C 39 9.782 0.238 -9.425 1.00 0.00 O ATOM 1307 CB ILE C 39 8.558 3.361 -9.187 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.498 4.212 -9.889 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.882 3.456 -9.952 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.820 5.697 -9.712 1.00 0.00 C ATOM 0 H ILE C 39 6.638 2.670 -7.821 1.00 0.00 H new ATOM 0 HA ILE C 39 7.793 1.590 -10.144 1.00 0.00 H new ATOM 0 HB ILE C 39 8.709 3.724 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.463 3.963 -10.950 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.513 3.993 -9.477 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.213 4.494 -9.979 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.636 2.848 -9.452 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.741 3.093 -10.970 1.00 0.00 H new ATOM 0 HD11 ILE C 39 7.061 6.296 -10.215 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.832 5.943 -8.650 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.797 5.912 -10.145 1.00 0.00 H new ATOM 1322 N LEU C 40 9.538 1.109 -7.371 1.00 0.00 N ATOM 1323 CA LEU C 40 10.605 0.287 -6.804 1.00 0.00 C ATOM 1324 C LEU C 40 10.202 -1.188 -6.735 1.00 0.00 C ATOM 1325 O LEU C 40 11.003 -2.072 -7.045 1.00 0.00 O ATOM 1326 CB LEU C 40 10.957 0.794 -5.409 1.00 0.00 C ATOM 1327 CG LEU C 40 11.236 2.299 -5.466 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.572 2.798 -4.059 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.413 2.580 -6.415 1.00 0.00 C ATOM 0 H LEU C 40 9.084 1.739 -6.709 1.00 0.00 H new ATOM 0 HA LEU C 40 11.475 0.366 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.137 0.591 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.831 0.266 -5.029 1.00 0.00 H new ATOM 0 HG LEU C 40 10.354 2.819 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.772 3.869 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.730 2.606 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.454 2.275 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU C 40 12.604 3.652 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.303 2.064 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.167 2.223 -7.415 1.00 0.00 H new ATOM 1341 N TRP C 41 8.968 -1.451 -6.314 1.00 0.00 N ATOM 1342 CA TRP C 41 8.485 -2.827 -6.196 1.00 0.00 C ATOM 1343 C TRP C 41 8.358 -3.495 -7.565 1.00 0.00 C ATOM 1344 O TRP C 41 8.693 -4.670 -7.722 1.00 0.00 O ATOM 1345 CB TRP C 41 7.153 -2.853 -5.430 1.00 0.00 C ATOM 1346 CG TRP C 41 6.594 -4.245 -5.411 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.963 -5.224 -4.547 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.518 -4.801 -6.219 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.219 -6.360 -4.820 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.312 -6.145 -5.834 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.719 -4.283 -7.250 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.351 -6.940 -6.451 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.742 -5.081 -7.866 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.561 -6.405 -7.467 1.00 0.00 C ATOM 0 H TRP C 41 8.288 -0.738 -6.051 1.00 0.00 H new ATOM 0 HA TRP C 41 9.218 -3.403 -5.631 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.305 -2.500 -4.410 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.442 -2.174 -5.900 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.712 -5.133 -3.775 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.329 -7.248 -4.330 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.857 -3.261 -7.572 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.218 -7.967 -6.144 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.128 -4.668 -8.652 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.809 -7.015 -7.945 1.00 0.00 H new ATOM 1365 N ILE C 42 7.882 -2.744 -8.558 1.00 0.00 N ATOM 1366 CA ILE C 42 7.732 -3.285 -9.910 1.00 0.00 C ATOM 1367 C ILE C 42 9.095 -3.686 -10.481 1.00 0.00 C ATOM 1368 O ILE C 42 9.245 -4.774 -11.036 1.00 0.00 O ATOM 1369 CB ILE C 42 7.076 -2.229 -10.819 1.00 0.00 C ATOM 1370 CG1 ILE C 42 5.580 -2.130 -10.497 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.256 -2.599 -12.296 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.003 -0.872 -11.148 1.00 0.00 C ATOM 0 H ILE C 42 7.596 -1.770 -8.455 1.00 0.00 H new ATOM 0 HA ILE C 42 7.099 -4.171 -9.866 1.00 0.00 H new ATOM 0 HB ILE C 42 7.558 -1.268 -10.637 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.059 -3.014 -10.863 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.430 -2.096 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.785 -1.840 -12.921 1.00 0.00 H new ATOM 0 HG22 ILE C 42 8.319 -2.654 -12.530 1.00 0.00 H new ATOM 0 HG23 ILE C 42 6.792 -3.566 -12.488 1.00 0.00 H new ATOM 0 HD11 ILE C 42 3.939 -0.800 -10.920 1.00 0.00 H new ATOM 0 HD12 ILE C 42 5.518 0.007 -10.760 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.140 -0.926 -12.228 1.00 0.00 H new ATOM 1384 N LEU C 43 10.081 -2.811 -10.332 1.00 0.00 N ATOM 1385 CA LEU C 43 11.424 -3.095 -10.830 1.00 0.00 C ATOM 1386 C LEU C 43 12.041 -4.267 -10.069 1.00 0.00 C ATOM 1387 O LEU C 43 12.749 -5.089 -10.650 1.00 0.00 O ATOM 1388 CB LEU C 43 12.324 -1.842 -10.718 1.00 0.00 C ATOM 1389 CG LEU C 43 12.261 -0.994 -12.004 1.00 0.00 C ATOM 1390 CD1 LEU C 43 10.884 -0.339 -12.160 1.00 0.00 C ATOM 1391 CD2 LEU C 43 13.336 0.091 -11.935 1.00 0.00 C ATOM 0 H LEU C 43 9.980 -1.905 -9.874 1.00 0.00 H new ATOM 0 HA LEU C 43 11.348 -3.369 -11.882 1.00 0.00 H new ATOM 0 HB2 LEU C 43 12.009 -1.240 -9.866 1.00 0.00 H new ATOM 0 HB3 LEU C 43 13.354 -2.146 -10.530 1.00 0.00 H new ATOM 0 HG LEU C 43 12.432 -1.643 -12.863 1.00 0.00 H new ATOM 0 HD11 LEU C 43 10.865 0.254 -13.074 1.00 0.00 H new ATOM 0 HD12 LEU C 43 10.117 -1.112 -12.212 1.00 0.00 H new ATOM 0 HD13 LEU C 43 10.690 0.308 -11.304 1.00 0.00 H new ATOM 0 HD21 LEU C 43 13.300 0.697 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.158 0.725 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU C 43 14.318 -0.375 -11.849 1.00 0.00 H new ATOM 1403 N ASP C 44 11.776 -4.336 -8.769 1.00 0.00 N ATOM 1404 CA ASP C 44 12.327 -5.411 -7.952 1.00 0.00 C ATOM 1405 C ASP C 44 12.001 -6.765 -8.575 1.00 0.00 C ATOM 1406 O ASP C 44 12.882 -7.608 -8.745 1.00 0.00 O ATOM 1407 CB ASP C 44 11.740 -5.344 -6.544 1.00 0.00 C ATOM 1408 CG ASP C 44 12.405 -6.387 -5.650 1.00 0.00 C ATOM 1409 OD1 ASP C 44 13.162 -7.187 -6.172 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.146 -6.369 -4.458 1.00 0.00 O ATOM 0 H ASP C 44 11.191 -3.670 -8.264 1.00 0.00 H new ATOM 0 HA ASP C 44 13.409 -5.293 -7.900 1.00 0.00 H new ATOM 0 HB2 ASP C 44 11.888 -4.348 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.665 -5.518 -6.581 1.00 0.00 H new ATOM 1415 N ARG C 45 10.736 -6.964 -8.922 1.00 0.00 N ATOM 1416 CA ARG C 45 10.315 -8.218 -9.540 1.00 0.00 C ATOM 1417 C ARG C 45 10.961 -8.399 -10.911 1.00 0.00 C ATOM 1418 O ARG C 45 11.254 -9.520 -11.324 1.00 0.00 O ATOM 1419 CB ARG C 45 8.793 -8.261 -9.685 1.00 0.00 C ATOM 1420 CG ARG C 45 8.154 -8.436 -8.308 1.00 0.00 C ATOM 1421 CD ARG C 45 6.632 -8.399 -8.448 1.00 0.00 C ATOM 1422 NE ARG C 45 6.180 -9.494 -9.300 1.00 0.00 N ATOM 1423 CZ ARG C 45 4.904 -9.608 -9.651 1.00 0.00 C ATOM 1424 NH1 ARG C 45 4.030 -8.740 -9.221 1.00 0.00 N ATOM 1425 NH2 ARG C 45 4.525 -10.590 -10.424 1.00 0.00 N ATOM 0 H ARG C 45 9.989 -6.282 -8.789 1.00 0.00 H new ATOM 0 HA ARG C 45 10.639 -9.031 -8.890 1.00 0.00 H new ATOM 0 HB2 ARG C 45 8.435 -7.342 -10.149 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.503 -9.083 -10.339 1.00 0.00 H new ATOM 0 HG2 ARG C 45 8.467 -9.382 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG C 45 8.488 -7.645 -7.636 1.00 0.00 H new ATOM 0 HD2 ARG C 45 6.167 -8.477 -7.465 1.00 0.00 H new ATOM 0 HD3 ARG C 45 6.321 -7.445 -8.873 1.00 0.00 H new ATOM 0 HE ARG C 45 6.855 -10.183 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG C 45 4.327 -7.974 -8.616 1.00 0.00 H new ATOM 0 HH12 ARG C 45 3.050 -8.827 -9.490 1.00 0.00 H new ATOM 0 HH21 ARG C 45 5.209 -11.269 -10.758 1.00 0.00 H new ATOM 0 HH22 ARG C 45 3.545 -10.678 -10.694 1.00 0.00 H new ATOM 1439 N LEU C 46 11.156 -7.294 -11.624 1.00 0.00 N ATOM 1440 CA LEU C 46 11.741 -7.356 -12.960 1.00 0.00 C ATOM 1441 C LEU C 46 13.141 -7.976 -12.892 1.00 0.00 C ATOM 1442 O LEU C 46 13.491 -8.837 -13.700 1.00 0.00 O ATOM 1443 CB LEU C 46 11.815 -5.933 -13.549 1.00 0.00 C ATOM 1444 CG LEU C 46 11.739 -5.971 -15.083 1.00 0.00 C ATOM 1445 CD1 LEU C 46 11.912 -4.553 -15.630 1.00 0.00 C ATOM 1446 CD2 LEU C 46 12.837 -6.879 -15.653 1.00 0.00 C ATOM 0 H LEU C 46 10.921 -6.354 -11.304 1.00 0.00 H new ATOM 0 HA LEU C 46 11.118 -7.979 -13.602 1.00 0.00 H new ATOM 0 HB2 LEU C 46 10.998 -5.329 -13.155 1.00 0.00 H new ATOM 0 HB3 LEU C 46 12.744 -5.454 -13.238 1.00 0.00 H new ATOM 0 HG LEU C 46 10.769 -6.369 -15.381 1.00 0.00 H new ATOM 0 HD11 LEU C 46 11.859 -4.574 -16.719 1.00 0.00 H new ATOM 0 HD12 LEU C 46 11.120 -3.914 -15.240 1.00 0.00 H new ATOM 0 HD13 LEU C 46 12.881 -4.160 -15.321 1.00 0.00 H new ATOM 0 HD21 LEU C 46 12.768 -6.894 -16.741 1.00 0.00 H new ATOM 0 HD22 LEU C 46 13.814 -6.498 -15.356 1.00 0.00 H new ATOM 0 HD23 LEU C 46 12.709 -7.890 -15.267 1.00 0.00 H new ATOM 1458 N PHE C 47 13.937 -7.545 -11.919 1.00 0.00 N ATOM 1459 CA PHE C 47 15.288 -8.079 -11.770 1.00 0.00 C ATOM 1460 C PHE C 47 15.245 -9.581 -11.508 1.00 0.00 C ATOM 1461 O PHE C 47 15.980 -10.349 -12.128 1.00 0.00 O ATOM 1462 CB PHE C 47 16.007 -7.381 -10.613 1.00 0.00 C ATOM 1463 CG PHE C 47 16.363 -5.967 -11.015 1.00 0.00 C ATOM 1464 CD1 PHE C 47 17.334 -5.749 -11.997 1.00 0.00 C ATOM 1465 CD2 PHE C 47 15.727 -4.878 -10.405 1.00 0.00 C ATOM 1466 CE1 PHE C 47 17.673 -4.445 -12.372 1.00 0.00 C ATOM 1467 CE2 PHE C 47 16.067 -3.572 -10.781 1.00 0.00 C ATOM 1468 CZ PHE C 47 17.039 -3.357 -11.764 1.00 0.00 C ATOM 0 H PHE C 47 13.677 -6.838 -11.231 1.00 0.00 H new ATOM 0 HA PHE C 47 15.831 -7.896 -12.697 1.00 0.00 H new ATOM 0 HB2 PHE C 47 15.369 -7.369 -9.730 1.00 0.00 H new ATOM 0 HB3 PHE C 47 16.909 -7.932 -10.347 1.00 0.00 H new ATOM 0 HD1 PHE C 47 17.823 -6.589 -12.467 1.00 0.00 H new ATOM 0 HD2 PHE C 47 14.976 -5.045 -9.647 1.00 0.00 H new ATOM 0 HE1 PHE C 47 18.424 -4.278 -13.130 1.00 0.00 H new ATOM 0 HE2 PHE C 47 15.579 -2.731 -10.312 1.00 0.00 H new ATOM 0 HZ PHE C 47 17.300 -2.350 -12.054 1.00 0.00 H new ATOM 1478 N PHE C 48 14.377 -9.996 -10.590 1.00 0.00 N ATOM 1479 CA PHE C 48 14.244 -11.412 -10.260 1.00 0.00 C ATOM 1480 C PHE C 48 12.857 -11.706 -9.701 1.00 0.00 C ATOM 1481 O PHE C 48 12.180 -10.810 -9.198 1.00 0.00 O ATOM 1482 CB PHE C 48 15.310 -11.814 -9.240 1.00 0.00 C ATOM 1483 CG PHE C 48 16.678 -11.713 -9.876 1.00 0.00 C ATOM 1484 CD1 PHE C 48 17.099 -12.692 -10.783 1.00 0.00 C ATOM 1485 CD2 PHE C 48 17.524 -10.643 -9.560 1.00 0.00 C ATOM 1486 CE1 PHE C 48 18.366 -12.603 -11.374 1.00 0.00 C ATOM 1487 CE2 PHE C 48 18.791 -10.554 -10.151 1.00 0.00 C ATOM 1488 CZ PHE C 48 19.211 -11.534 -11.058 1.00 0.00 C ATOM 0 H PHE C 48 13.759 -9.377 -10.065 1.00 0.00 H new ATOM 0 HA PHE C 48 14.382 -11.993 -11.172 1.00 0.00 H new ATOM 0 HB2 PHE C 48 15.255 -11.166 -8.365 1.00 0.00 H new ATOM 0 HB3 PHE C 48 15.132 -12.832 -8.894 1.00 0.00 H new ATOM 0 HD1 PHE C 48 16.446 -13.517 -11.028 1.00 0.00 H new ATOM 0 HD2 PHE C 48 17.200 -9.886 -8.861 1.00 0.00 H new ATOM 0 HE1 PHE C 48 18.690 -13.359 -12.073 1.00 0.00 H new ATOM 0 HE2 PHE C 48 19.444 -9.729 -9.907 1.00 0.00 H new ATOM 0 HZ PHE C 48 20.188 -11.465 -11.514 1.00 0.00 H new ATOM 1498 N LYS C 49 12.441 -12.964 -9.791 1.00 0.00 N ATOM 1499 CA LYS C 49 11.130 -13.359 -9.288 1.00 0.00 C ATOM 1500 C LYS C 49 10.052 -12.411 -9.803 1.00 0.00 C ATOM 1501 O LYS C 49 9.770 -11.440 -9.121 1.00 0.00 O ATOM 1502 CB LYS C 49 11.138 -13.352 -7.756 1.00 0.00 C ATOM 1503 CG LYS C 49 9.796 -13.867 -7.232 1.00 0.00 C ATOM 1504 CD LYS C 49 9.825 -13.902 -5.702 1.00 0.00 C ATOM 1505 CE LYS C 49 8.487 -14.423 -5.178 1.00 0.00 C ATOM 1506 NZ LYS C 49 8.291 -15.831 -5.627 1.00 0.00 N ATOM 1507 OXT LYS C 49 9.526 -12.670 -10.873 1.00 0.00 O ATOM 0 H LYS C 49 12.986 -13.721 -10.203 1.00 0.00 H new ATOM 0 HA LYS C 49 10.909 -14.365 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS C 49 11.949 -13.978 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS C 49 11.320 -12.342 -7.388 1.00 0.00 H new ATOM 0 HG2 LYS C 49 8.987 -13.222 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS C 49 9.598 -14.864 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS C 49 10.637 -14.543 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS C 49 10.018 -12.904 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS C 49 8.466 -14.371 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS C 49 7.673 -13.797 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 7.503 -16.257 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 8.074 -15.844 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 9.159 -16.376 -5.451 1.00 0.00 H new TER 1521 LYS C 49 ATOM 1522 N SER D 19 -14.813 19.791 13.102 1.00 0.00 N ATOM 1523 CA SER D 19 -14.167 20.737 12.149 1.00 0.00 C ATOM 1524 C SER D 19 -12.664 20.479 12.117 1.00 0.00 C ATOM 1525 O SER D 19 -11.863 21.412 12.170 1.00 0.00 O ATOM 1526 CB SER D 19 -14.438 22.173 12.600 1.00 0.00 C ATOM 1527 OG SER D 19 -14.010 23.072 11.584 1.00 0.00 O ATOM 0 HA SER D 19 -14.577 20.589 11.150 1.00 0.00 H new ATOM 0 HB2 SER D 19 -15.501 22.310 12.799 1.00 0.00 H new ATOM 0 HB3 SER D 19 -13.910 22.380 13.531 1.00 0.00 H new ATOM 0 HG SER D 19 -13.082 22.872 11.340 1.00 0.00 H new ATOM 1535 N ASN D 20 -12.288 19.206 12.027 1.00 0.00 N ATOM 1536 CA ASN D 20 -10.877 18.837 11.986 1.00 0.00 C ATOM 1537 C ASN D 20 -10.703 17.452 11.370 1.00 0.00 C ATOM 1538 O ASN D 20 -11.613 16.625 11.410 1.00 0.00 O ATOM 1539 CB ASN D 20 -10.293 18.842 13.400 1.00 0.00 C ATOM 1540 CG ASN D 20 -10.957 17.756 14.241 1.00 0.00 C ATOM 1541 OD1 ASN D 20 -11.842 17.051 13.757 1.00 0.00 O ATOM 1542 ND2 ASN D 20 -10.578 17.579 15.477 1.00 0.00 N ATOM 0 H ASN D 20 -12.935 18.419 11.981 1.00 0.00 H new ATOM 0 HA ASN D 20 -10.349 19.567 11.372 1.00 0.00 H new ATOM 0 HB2 ASN D 20 -9.217 18.675 13.359 1.00 0.00 H new ATOM 0 HB3 ASN D 20 -10.447 19.817 13.863 1.00 0.00 H new ATOM 0 HD21 ASN D 20 -11.016 16.854 16.046 1.00 0.00 H new ATOM 0 HD22 ASN D 20 -9.844 18.165 15.874 1.00 0.00 H new ATOM 1549 N ASP D 21 -9.526 17.206 10.804 1.00 0.00 N ATOM 1550 CA ASP D 21 -9.237 15.918 10.185 1.00 0.00 C ATOM 1551 C ASP D 21 -9.016 14.848 11.249 1.00 0.00 C ATOM 1552 O ASP D 21 -9.041 13.653 10.957 1.00 0.00 O ATOM 1553 CB ASP D 21 -7.994 16.030 9.302 1.00 0.00 C ATOM 1554 CG ASP D 21 -8.306 16.872 8.069 1.00 0.00 C ATOM 1555 OD1 ASP D 21 -9.478 17.071 7.794 1.00 0.00 O ATOM 1556 OD2 ASP D 21 -7.368 17.304 7.419 1.00 0.00 O ATOM 0 H ASP D 21 -8.760 17.878 10.761 1.00 0.00 H new ATOM 0 HA ASP D 21 -10.092 15.631 9.572 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -7.177 16.482 9.865 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -7.661 15.037 9.000 1.00 0.00 H new ATOM 1561 N SER D 22 -8.798 15.287 12.484 1.00 0.00 N ATOM 1562 CA SER D 22 -8.572 14.359 13.585 1.00 0.00 C ATOM 1563 C SER D 22 -9.826 13.533 13.848 1.00 0.00 C ATOM 1564 O SER D 22 -9.768 12.486 14.493 1.00 0.00 O ATOM 1565 CB SER D 22 -8.189 15.129 14.850 1.00 0.00 C ATOM 1566 OG SER D 22 -7.198 16.095 14.526 1.00 0.00 O ATOM 0 H SER D 22 -8.773 16.272 12.746 1.00 0.00 H new ATOM 0 HA SER D 22 -7.757 13.689 13.311 1.00 0.00 H new ATOM 0 HB2 SER D 22 -9.067 15.618 15.272 1.00 0.00 H new ATOM 0 HB3 SER D 22 -7.811 14.443 15.608 1.00 0.00 H new ATOM 0 HG SER D 22 -6.950 16.593 15.333 1.00 0.00 H new ATOM 1572 N SER D 23 -10.959 14.011 13.343 1.00 0.00 N ATOM 1573 CA SER D 23 -12.223 13.309 13.532 1.00 0.00 C ATOM 1574 C SER D 23 -12.155 11.907 12.935 1.00 0.00 C ATOM 1575 O SER D 23 -12.648 10.950 13.529 1.00 0.00 O ATOM 1576 CB SER D 23 -13.364 14.089 12.881 1.00 0.00 C ATOM 1577 OG SER D 23 -13.549 15.319 13.570 1.00 0.00 O ATOM 0 H SER D 23 -11.028 14.874 12.804 1.00 0.00 H new ATOM 0 HA SER D 23 -12.409 13.227 14.603 1.00 0.00 H new ATOM 0 HB2 SER D 23 -13.138 14.278 11.832 1.00 0.00 H new ATOM 0 HB3 SER D 23 -14.282 13.502 12.909 1.00 0.00 H new ATOM 0 HG SER D 23 -12.682 15.759 13.693 1.00 0.00 H new ATOM 1583 N ASP D 24 -11.551 11.794 11.751 1.00 0.00 N ATOM 1584 CA ASP D 24 -11.424 10.503 11.069 1.00 0.00 C ATOM 1585 C ASP D 24 -9.994 9.952 11.210 1.00 0.00 C ATOM 1586 O ASP D 24 -9.103 10.369 10.470 1.00 0.00 O ATOM 1587 CB ASP D 24 -11.757 10.691 9.585 1.00 0.00 C ATOM 1588 CG ASP D 24 -13.030 11.521 9.438 1.00 0.00 C ATOM 1589 OD1 ASP D 24 -13.896 11.400 10.290 1.00 0.00 O ATOM 1590 OD2 ASP D 24 -13.123 12.266 8.475 1.00 0.00 O ATOM 0 H ASP D 24 -11.142 12.579 11.244 1.00 0.00 H new ATOM 0 HA ASP D 24 -12.114 9.791 11.523 1.00 0.00 H new ATOM 0 HB2 ASP D 24 -10.929 11.186 9.078 1.00 0.00 H new ATOM 0 HB3 ASP D 24 -11.889 9.720 9.107 1.00 0.00 H new ATOM 1595 N PRO D 25 -9.738 9.044 12.134 1.00 0.00 N ATOM 1596 CA PRO D 25 -8.371 8.475 12.332 1.00 0.00 C ATOM 1597 C PRO D 25 -8.007 7.445 11.262 1.00 0.00 C ATOM 1598 O PRO D 25 -6.846 7.051 11.141 1.00 0.00 O ATOM 1599 CB PRO D 25 -8.431 7.851 13.732 1.00 0.00 C ATOM 1600 CG PRO D 25 -9.866 7.476 13.933 1.00 0.00 C ATOM 1601 CD PRO D 25 -10.704 8.450 13.087 1.00 0.00 C ATOM 0 HA PRO D 25 -7.594 9.234 12.245 1.00 0.00 H new ATOM 0 HB2 PRO D 25 -7.782 6.978 13.802 1.00 0.00 H new ATOM 0 HB3 PRO D 25 -8.098 8.557 14.493 1.00 0.00 H new ATOM 0 HG2 PRO D 25 -10.043 6.446 13.625 1.00 0.00 H new ATOM 0 HG3 PRO D 25 -10.140 7.545 14.986 1.00 0.00 H new ATOM 0 HD2 PRO D 25 -11.508 7.931 12.565 1.00 0.00 H new ATOM 0 HD3 PRO D 25 -11.169 9.215 13.708 1.00 0.00 H new ATOM 1609 N LEU D 26 -9.006 6.994 10.509 1.00 0.00 N ATOM 1610 CA LEU D 26 -8.781 5.987 9.474 1.00 0.00 C ATOM 1611 C LEU D 26 -7.783 6.493 8.431 1.00 0.00 C ATOM 1612 O LEU D 26 -6.894 5.756 8.005 1.00 0.00 O ATOM 1613 CB LEU D 26 -10.116 5.652 8.790 1.00 0.00 C ATOM 1614 CG LEU D 26 -10.908 4.652 9.639 1.00 0.00 C ATOM 1615 CD1 LEU D 26 -11.211 5.266 11.006 1.00 0.00 C ATOM 1616 CD2 LEU D 26 -12.221 4.312 8.932 1.00 0.00 C ATOM 0 H LEU D 26 -9.973 7.307 10.594 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.368 5.093 9.941 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -10.699 6.562 8.648 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -9.931 5.234 7.800 1.00 0.00 H new ATOM 0 HG LEU D 26 -10.319 3.744 9.772 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -11.774 4.553 11.608 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -10.276 5.509 11.511 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -11.799 6.174 10.875 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -12.785 3.601 9.535 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -12.808 5.221 8.798 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -12.006 3.872 7.958 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.935 7.748 8.022 1.00 0.00 N ATOM 1629 CA VAL D 27 -7.037 8.329 7.028 1.00 0.00 C ATOM 1630 C VAL D 27 -5.622 8.458 7.592 1.00 0.00 C ATOM 1631 O VAL D 27 -4.635 8.208 6.896 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.560 9.702 6.594 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -9.051 9.597 6.260 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -7.357 10.717 7.723 1.00 0.00 C ATOM 0 H VAL D 27 -8.663 8.378 8.359 1.00 0.00 H new ATOM 0 HA VAL D 27 -7.002 7.670 6.161 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.011 10.034 5.713 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -9.424 10.573 5.951 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -9.193 8.881 5.450 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -9.598 9.261 7.141 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -7.731 11.691 7.408 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -7.900 10.389 8.609 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -6.295 10.794 7.956 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.535 8.857 8.857 1.00 0.00 N ATOM 1645 CA VAL D 28 -4.243 9.024 9.511 1.00 0.00 C ATOM 1646 C VAL D 28 -3.489 7.699 9.544 1.00 0.00 C ATOM 1647 O VAL D 28 -2.294 7.647 9.258 1.00 0.00 O ATOM 1648 CB VAL D 28 -4.445 9.538 10.940 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -3.097 9.592 11.663 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -5.055 10.941 10.894 1.00 0.00 C ATOM 0 H VAL D 28 -6.340 9.070 9.447 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.657 9.749 8.945 1.00 0.00 H new ATOM 0 HB VAL D 28 -5.115 8.865 11.475 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -3.244 9.958 12.679 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.662 8.593 11.696 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -2.424 10.263 11.129 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -5.200 11.308 11.910 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -4.384 11.612 10.357 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.016 10.903 10.382 1.00 0.00 H new ATOM 1660 N ALA D 29 -4.195 6.630 9.893 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.577 5.312 9.958 1.00 0.00 C ATOM 1662 C ALA D 29 -3.057 4.901 8.585 1.00 0.00 C ATOM 1663 O ALA D 29 -1.995 4.292 8.473 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.594 4.281 10.450 1.00 0.00 C ATOM 0 H ALA D 29 -5.186 6.649 10.133 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.740 5.356 10.655 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.123 3.299 10.495 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.945 4.561 11.443 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.439 4.247 9.763 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.808 5.238 7.543 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.403 4.890 6.184 1.00 0.00 C ATOM 1672 C ALA D 30 -2.006 5.422 5.893 1.00 0.00 C ATOM 1673 O ALA D 30 -1.152 4.696 5.383 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.396 5.477 5.178 1.00 0.00 C ATOM 0 H ALA D 30 -4.690 5.746 7.610 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.393 3.804 6.092 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.088 5.213 4.166 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.390 5.074 5.371 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.418 6.562 5.279 1.00 0.00 H new ATOM 1680 N SER D 31 -1.775 6.689 6.221 1.00 0.00 N ATOM 1681 CA SER D 31 -0.469 7.298 5.991 1.00 0.00 C ATOM 1682 C SER D 31 0.612 6.559 6.779 1.00 0.00 C ATOM 1683 O SER D 31 1.702 6.303 6.267 1.00 0.00 O ATOM 1684 CB SER D 31 -0.498 8.766 6.410 1.00 0.00 C ATOM 1685 OG SER D 31 -1.462 9.459 5.627 1.00 0.00 O ATOM 0 H SER D 31 -2.467 7.309 6.643 1.00 0.00 H new ATOM 0 HA SER D 31 -0.237 7.230 4.928 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.744 8.849 7.469 1.00 0.00 H new ATOM 0 HB3 SER D 31 0.487 9.214 6.276 1.00 0.00 H new ATOM 0 HG SER D 31 -1.187 10.393 5.521 1.00 0.00 H new ATOM 1691 N ILE D 32 0.298 6.220 8.026 1.00 0.00 N ATOM 1692 CA ILE D 32 1.246 5.510 8.882 1.00 0.00 C ATOM 1693 C ILE D 32 1.556 4.130 8.305 1.00 0.00 C ATOM 1694 O ILE D 32 2.705 3.693 8.306 1.00 0.00 O ATOM 1695 CB ILE D 32 0.677 5.368 10.298 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.591 6.752 10.947 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.599 4.475 11.135 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.224 6.662 12.239 1.00 0.00 C ATOM 0 H ILE D 32 -0.600 6.423 8.465 1.00 0.00 H new ATOM 0 HA ILE D 32 2.170 6.087 8.927 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.315 4.920 10.248 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.592 7.127 11.161 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.126 7.459 10.260 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.193 4.375 12.142 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.670 3.490 10.673 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.591 4.924 11.187 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.285 7.648 12.700 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.229 6.305 12.011 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.260 5.969 12.927 1.00 0.00 H new ATOM 1710 N ILE D 33 0.523 3.447 7.827 1.00 0.00 N ATOM 1711 CA ILE D 33 0.700 2.114 7.260 1.00 0.00 C ATOM 1712 C ILE D 33 1.627 2.162 6.049 1.00 0.00 C ATOM 1713 O ILE D 33 2.507 1.316 5.901 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.664 1.546 6.841 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.494 1.228 8.087 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.476 0.269 6.010 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -2.950 0.986 7.674 1.00 0.00 C ATOM 0 H ILE D 33 -0.438 3.789 7.820 1.00 0.00 H new ATOM 0 HA ILE D 33 1.149 1.472 8.017 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.183 2.289 6.236 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.095 0.347 8.590 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.437 2.053 8.797 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.451 -0.123 5.720 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.104 0.499 5.116 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.053 -0.477 6.604 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.546 0.759 8.558 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.344 1.880 7.190 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -2.997 0.147 6.980 1.00 0.00 H new ATOM 1729 N GLY D 34 1.422 3.144 5.181 1.00 0.00 N ATOM 1730 CA GLY D 34 2.253 3.262 3.993 1.00 0.00 C ATOM 1731 C GLY D 34 3.712 3.508 4.365 1.00 0.00 C ATOM 1732 O GLY D 34 4.606 2.798 3.904 1.00 0.00 O ATOM 0 H GLY D 34 0.700 3.858 5.275 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.175 2.352 3.399 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.890 4.081 3.371 1.00 0.00 H new ATOM 1736 N ILE D 35 3.950 4.515 5.200 1.00 0.00 N ATOM 1737 CA ILE D 35 5.308 4.839 5.619 1.00 0.00 C ATOM 1738 C ILE D 35 5.908 3.716 6.469 1.00 0.00 C ATOM 1739 O ILE D 35 7.061 3.336 6.282 1.00 0.00 O ATOM 1740 CB ILE D 35 5.308 6.145 6.421 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.919 7.302 5.499 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.707 6.404 6.988 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.642 8.550 6.335 1.00 0.00 C ATOM 0 H ILE D 35 3.227 5.115 5.596 1.00 0.00 H new ATOM 0 HA ILE D 35 5.919 4.956 4.724 1.00 0.00 H new ATOM 0 HB ILE D 35 4.593 6.066 7.240 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.721 7.499 4.787 1.00 0.00 H new ATOM 0 HG13 ILE D 35 4.035 7.037 4.918 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.702 7.333 7.557 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.993 5.580 7.641 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.422 6.483 6.169 1.00 0.00 H new ATOM 0 HD11 ILE D 35 4.365 9.374 5.678 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.826 8.349 7.029 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.537 8.818 6.896 1.00 0.00 H new ATOM 1755 N LEU D 36 5.119 3.201 7.411 1.00 0.00 N ATOM 1756 CA LEU D 36 5.591 2.136 8.295 1.00 0.00 C ATOM 1757 C LEU D 36 5.929 0.881 7.500 1.00 0.00 C ATOM 1758 O LEU D 36 6.981 0.267 7.696 1.00 0.00 O ATOM 1759 CB LEU D 36 4.508 1.807 9.331 1.00 0.00 C ATOM 1760 CG LEU D 36 4.978 0.680 10.266 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.261 1.098 11.002 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.870 0.384 11.282 1.00 0.00 C ATOM 0 H LEU D 36 4.159 3.500 7.581 1.00 0.00 H new ATOM 0 HA LEU D 36 6.493 2.482 8.799 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.273 2.697 9.915 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.591 1.507 8.824 1.00 0.00 H new ATOM 0 HG LEU D 36 5.191 -0.213 9.678 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.582 0.291 11.660 1.00 0.00 H new ATOM 0 HD12 LEU D 36 7.046 1.307 10.275 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.066 1.993 11.593 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.193 -0.414 11.950 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.660 1.282 11.864 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.967 0.074 10.756 1.00 0.00 H new ATOM 1774 N HIS D 37 5.030 0.508 6.600 1.00 0.00 N ATOM 1775 CA HIS D 37 5.242 -0.674 5.783 1.00 0.00 C ATOM 1776 C HIS D 37 6.515 -0.524 4.966 1.00 0.00 C ATOM 1777 O HIS D 37 7.278 -1.476 4.806 1.00 0.00 O ATOM 1778 CB HIS D 37 4.055 -0.890 4.853 1.00 0.00 C ATOM 1779 CG HIS D 37 4.297 -2.122 4.034 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.493 -3.242 4.127 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.263 -2.433 3.112 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.986 -4.165 3.286 1.00 0.00 C ATOM 1783 NE2 HIS D 37 5.064 -3.723 2.641 1.00 0.00 N ATOM 0 H HIS D 37 4.156 1.002 6.419 1.00 0.00 H new ATOM 0 HA HIS D 37 5.340 -1.538 6.440 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.137 -0.996 5.432 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.923 -0.025 4.203 1.00 0.00 H new ATOM 0 HD2 HIS D 37 6.059 -1.773 2.799 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.560 -5.148 3.149 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.623 -4.224 1.950 1.00 0.00 H new ATOM 1791 N LEU D 38 6.733 0.675 4.440 1.00 0.00 N ATOM 1792 CA LEU D 38 7.915 0.934 3.626 1.00 0.00 C ATOM 1793 C LEU D 38 9.190 0.725 4.429 1.00 0.00 C ATOM 1794 O LEU D 38 10.166 0.198 3.914 1.00 0.00 O ATOM 1795 CB LEU D 38 7.876 2.373 3.072 1.00 0.00 C ATOM 1796 CG LEU D 38 7.095 2.425 1.746 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.819 3.891 1.377 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.910 1.750 0.617 1.00 0.00 C ATOM 0 H LEU D 38 6.114 1.477 4.560 1.00 0.00 H new ATOM 0 HA LEU D 38 7.912 0.228 2.796 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.410 3.036 3.801 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.892 2.735 2.916 1.00 0.00 H new ATOM 0 HG LEU D 38 6.152 1.891 1.866 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.266 3.932 0.439 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.231 4.360 2.166 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.764 4.422 1.265 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.346 1.794 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.859 2.271 0.492 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.100 0.709 0.878 1.00 0.00 H new ATOM 1810 N ILE D 39 9.194 1.143 5.679 1.00 0.00 N ATOM 1811 CA ILE D 39 10.391 0.980 6.487 1.00 0.00 C ATOM 1812 C ILE D 39 10.770 -0.494 6.574 1.00 0.00 C ATOM 1813 O ILE D 39 11.921 -0.860 6.340 1.00 0.00 O ATOM 1814 CB ILE D 39 10.139 1.533 7.890 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.984 3.052 7.807 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.315 1.185 8.808 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.469 3.597 9.142 1.00 0.00 C ATOM 0 H ILE D 39 8.406 1.587 6.150 1.00 0.00 H new ATOM 0 HA ILE D 39 11.212 1.527 6.023 1.00 0.00 H new ATOM 0 HB ILE D 39 9.230 1.091 8.298 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.942 3.511 7.562 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.292 3.312 7.006 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.128 1.582 9.806 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.425 0.102 8.864 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.230 1.623 8.409 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.361 4.680 9.076 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.502 3.149 9.369 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.177 3.351 9.933 1.00 0.00 H new ATOM 1829 N LEU D 40 9.801 -1.338 6.902 1.00 0.00 N ATOM 1830 CA LEU D 40 10.064 -2.771 7.006 1.00 0.00 C ATOM 1831 C LEU D 40 10.333 -3.395 5.633 1.00 0.00 C ATOM 1832 O LEU D 40 11.237 -4.218 5.485 1.00 0.00 O ATOM 1833 CB LEU D 40 8.874 -3.463 7.664 1.00 0.00 C ATOM 1834 CG LEU D 40 8.529 -2.753 8.976 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.327 -3.445 9.619 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.732 -2.800 9.932 1.00 0.00 C ATOM 0 H LEU D 40 8.839 -1.063 7.099 1.00 0.00 H new ATOM 0 HA LEU D 40 10.957 -2.908 7.616 1.00 0.00 H new ATOM 0 HB2 LEU D 40 8.015 -3.447 6.993 1.00 0.00 H new ATOM 0 HB3 LEU D 40 9.110 -4.510 7.856 1.00 0.00 H new ATOM 0 HG LEU D 40 8.285 -1.710 8.772 1.00 0.00 H new ATOM 0 HD11 LEU D 40 7.076 -2.944 10.554 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.474 -3.397 8.942 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.572 -4.488 9.820 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.477 -2.293 10.862 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.989 -3.838 10.143 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.584 -2.303 9.469 1.00 0.00 H new ATOM 1848 N TRP D 41 9.538 -3.010 4.637 1.00 0.00 N ATOM 1849 CA TRP D 41 9.701 -3.553 3.289 1.00 0.00 C ATOM 1850 C TRP D 41 11.022 -3.105 2.658 1.00 0.00 C ATOM 1851 O TRP D 41 11.697 -3.893 1.995 1.00 0.00 O ATOM 1852 CB TRP D 41 8.498 -3.161 2.417 1.00 0.00 C ATOM 1853 CG TRP D 41 8.717 -3.610 1.003 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.486 -4.862 0.535 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.123 -2.818 -0.149 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.784 -4.896 -0.817 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.172 -3.659 -1.282 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.468 -1.468 -0.318 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.552 -3.177 -2.532 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.840 -0.979 -1.579 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.882 -1.834 -2.681 1.00 0.00 C ATOM 0 H TRP D 41 8.782 -2.332 4.735 1.00 0.00 H new ATOM 0 HA TRP D 41 9.738 -4.640 3.357 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.589 -3.613 2.814 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.355 -2.081 2.446 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.128 -5.696 1.121 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.724 -5.733 -1.396 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.447 -0.800 0.530 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.590 -3.843 -3.382 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.095 0.064 -1.697 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.171 -1.453 -3.649 1.00 0.00 H new ATOM 1872 N ILE D 42 11.393 -1.845 2.877 1.00 0.00 N ATOM 1873 CA ILE D 42 12.647 -1.321 2.329 1.00 0.00 C ATOM 1874 C ILE D 42 13.845 -2.076 2.909 1.00 0.00 C ATOM 1875 O ILE D 42 14.747 -2.480 2.175 1.00 0.00 O ATOM 1876 CB ILE D 42 12.766 0.180 2.660 1.00 0.00 C ATOM 1877 CG1 ILE D 42 11.821 0.984 1.760 1.00 0.00 C ATOM 1878 CG2 ILE D 42 14.206 0.666 2.452 1.00 0.00 C ATOM 1879 CD1 ILE D 42 11.692 2.407 2.303 1.00 0.00 C ATOM 0 H ILE D 42 10.853 -1.174 3.423 1.00 0.00 H new ATOM 0 HA ILE D 42 12.642 -1.458 1.248 1.00 0.00 H new ATOM 0 HB ILE D 42 12.493 0.327 3.705 1.00 0.00 H new ATOM 0 HG12 ILE D 42 12.203 1.006 0.740 1.00 0.00 H new ATOM 0 HG13 ILE D 42 10.842 0.507 1.723 1.00 0.00 H new ATOM 0 HG21 ILE D 42 14.270 1.728 2.691 1.00 0.00 H new ATOM 0 HG22 ILE D 42 14.877 0.107 3.104 1.00 0.00 H new ATOM 0 HG23 ILE D 42 14.496 0.510 1.413 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.020 2.981 1.664 1.00 0.00 H new ATOM 0 HD12 ILE D 42 11.290 2.375 3.316 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.673 2.882 2.317 1.00 0.00 H new ATOM 1891 N LEU D 43 13.842 -2.275 4.223 1.00 0.00 N ATOM 1892 CA LEU D 43 14.933 -2.993 4.879 1.00 0.00 C ATOM 1893 C LEU D 43 14.959 -4.453 4.428 1.00 0.00 C ATOM 1894 O LEU D 43 16.028 -5.036 4.260 1.00 0.00 O ATOM 1895 CB LEU D 43 14.800 -2.901 6.417 1.00 0.00 C ATOM 1896 CG LEU D 43 15.560 -1.677 6.968 1.00 0.00 C ATOM 1897 CD1 LEU D 43 14.876 -0.372 6.547 1.00 0.00 C ATOM 1898 CD2 LEU D 43 15.595 -1.765 8.494 1.00 0.00 C ATOM 0 H LEU D 43 13.105 -1.954 4.851 1.00 0.00 H new ATOM 0 HA LEU D 43 15.874 -2.526 4.590 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.747 -2.833 6.691 1.00 0.00 H new ATOM 0 HB3 LEU D 43 15.190 -3.811 6.874 1.00 0.00 H new ATOM 0 HG LEU D 43 16.572 -1.678 6.564 1.00 0.00 H new ATOM 0 HD11 LEU D 43 15.431 0.476 6.948 1.00 0.00 H new ATOM 0 HD12 LEU D 43 14.852 -0.308 5.459 1.00 0.00 H new ATOM 0 HD13 LEU D 43 13.857 -0.354 6.934 1.00 0.00 H new ATOM 0 HD21 LEU D 43 16.130 -0.905 8.896 1.00 0.00 H new ATOM 0 HD22 LEU D 43 14.576 -1.772 8.881 1.00 0.00 H new ATOM 0 HD23 LEU D 43 16.104 -2.681 8.794 1.00 0.00 H new ATOM 1910 N ASP D 44 13.781 -5.038 4.244 1.00 0.00 N ATOM 1911 CA ASP D 44 13.699 -6.432 3.826 1.00 0.00 C ATOM 1912 C ASP D 44 14.539 -6.658 2.572 1.00 0.00 C ATOM 1913 O ASP D 44 15.345 -7.585 2.514 1.00 0.00 O ATOM 1914 CB ASP D 44 12.245 -6.805 3.541 1.00 0.00 C ATOM 1915 CG ASP D 44 12.137 -8.291 3.219 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.173 -8.926 3.096 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.024 -8.774 3.100 1.00 0.00 O ATOM 0 H ASP D 44 12.881 -4.576 4.375 1.00 0.00 H new ATOM 0 HA ASP D 44 14.083 -7.060 4.630 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.625 -6.566 4.405 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.868 -6.216 2.705 1.00 0.00 H new ATOM 1922 N ARG D 45 14.355 -5.797 1.577 1.00 0.00 N ATOM 1923 CA ARG D 45 15.116 -5.910 0.338 1.00 0.00 C ATOM 1924 C ARG D 45 16.603 -5.664 0.583 1.00 0.00 C ATOM 1925 O ARG D 45 17.456 -6.254 -0.080 1.00 0.00 O ATOM 1926 CB ARG D 45 14.601 -4.915 -0.702 1.00 0.00 C ATOM 1927 CG ARG D 45 13.235 -5.371 -1.215 1.00 0.00 C ATOM 1928 CD ARG D 45 12.688 -4.333 -2.193 1.00 0.00 C ATOM 1929 NE ARG D 45 13.582 -4.205 -3.339 1.00 0.00 N ATOM 1930 CZ ARG D 45 13.370 -3.287 -4.275 1.00 0.00 C ATOM 1931 NH1 ARG D 45 12.341 -2.490 -4.185 1.00 0.00 N ATOM 1932 NH2 ARG D 45 14.187 -3.186 -5.288 1.00 0.00 N ATOM 0 H ARG D 45 13.693 -5.021 1.603 1.00 0.00 H new ATOM 0 HA ARG D 45 14.985 -6.925 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG D 45 14.522 -3.921 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG D 45 15.306 -4.842 -1.530 1.00 0.00 H new ATOM 0 HG2 ARG D 45 13.324 -6.339 -1.707 1.00 0.00 H new ATOM 0 HG3 ARG D 45 12.545 -5.500 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG D 45 11.693 -4.627 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG D 45 12.584 -3.370 -1.693 1.00 0.00 H new ATOM 0 HE ARG D 45 14.383 -4.831 -3.423 1.00 0.00 H new ATOM 0 HH11 ARG D 45 11.700 -2.572 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG D 45 12.178 -1.785 -4.904 1.00 0.00 H new ATOM 0 HH21 ARG D 45 14.989 -3.812 -5.361 1.00 0.00 H new ATOM 0 HH22 ARG D 45 14.024 -2.481 -6.007 1.00 0.00 H new ATOM 1946 N LEU D 46 16.908 -4.770 1.519 1.00 0.00 N ATOM 1947 CA LEU D 46 18.297 -4.438 1.814 1.00 0.00 C ATOM 1948 C LEU D 46 19.053 -5.692 2.274 1.00 0.00 C ATOM 1949 O LEU D 46 20.170 -5.954 1.831 1.00 0.00 O ATOM 1950 CB LEU D 46 18.341 -3.357 2.914 1.00 0.00 C ATOM 1951 CG LEU D 46 19.605 -2.493 2.784 1.00 0.00 C ATOM 1952 CD1 LEU D 46 19.655 -1.500 3.944 1.00 0.00 C ATOM 1953 CD2 LEU D 46 20.860 -3.375 2.808 1.00 0.00 C ATOM 0 H LEU D 46 16.220 -4.268 2.080 1.00 0.00 H new ATOM 0 HA LEU D 46 18.777 -4.055 0.913 1.00 0.00 H new ATOM 0 HB2 LEU D 46 17.455 -2.725 2.844 1.00 0.00 H new ATOM 0 HB3 LEU D 46 18.319 -3.830 3.896 1.00 0.00 H new ATOM 0 HG LEU D 46 19.574 -1.956 1.836 1.00 0.00 H new ATOM 0 HD11 LEU D 46 20.550 -0.884 3.857 1.00 0.00 H new ATOM 0 HD12 LEU D 46 18.771 -0.862 3.915 1.00 0.00 H new ATOM 0 HD13 LEU D 46 19.679 -2.044 4.888 1.00 0.00 H new ATOM 0 HD21 LEU D 46 21.747 -2.748 2.715 1.00 0.00 H new ATOM 0 HD22 LEU D 46 20.901 -3.924 3.749 1.00 0.00 H new ATOM 0 HD23 LEU D 46 20.825 -4.080 1.977 1.00 0.00 H new ATOM 1965 N PHE D 47 18.431 -6.471 3.153 1.00 0.00 N ATOM 1966 CA PHE D 47 19.064 -7.690 3.647 1.00 0.00 C ATOM 1967 C PHE D 47 19.338 -8.655 2.499 1.00 0.00 C ATOM 1968 O PHE D 47 20.433 -9.206 2.387 1.00 0.00 O ATOM 1969 CB PHE D 47 18.168 -8.370 4.683 1.00 0.00 C ATOM 1970 CG PHE D 47 18.178 -7.571 5.967 1.00 0.00 C ATOM 1971 CD1 PHE D 47 19.345 -7.513 6.737 1.00 0.00 C ATOM 1972 CD2 PHE D 47 17.027 -6.893 6.388 1.00 0.00 C ATOM 1973 CE1 PHE D 47 19.363 -6.778 7.928 1.00 0.00 C ATOM 1974 CE2 PHE D 47 17.046 -6.159 7.580 1.00 0.00 C ATOM 1975 CZ PHE D 47 18.213 -6.102 8.349 1.00 0.00 C ATOM 0 H PHE D 47 17.503 -6.285 3.534 1.00 0.00 H new ATOM 0 HA PHE D 47 20.010 -7.417 4.114 1.00 0.00 H new ATOM 0 HB2 PHE D 47 17.150 -8.451 4.301 1.00 0.00 H new ATOM 0 HB3 PHE D 47 18.519 -9.385 4.872 1.00 0.00 H new ATOM 0 HD1 PHE D 47 20.232 -8.036 6.412 1.00 0.00 H new ATOM 0 HD2 PHE D 47 16.126 -6.936 5.794 1.00 0.00 H new ATOM 0 HE1 PHE D 47 20.264 -6.733 8.522 1.00 0.00 H new ATOM 0 HE2 PHE D 47 16.159 -5.636 7.906 1.00 0.00 H new ATOM 0 HZ PHE D 47 18.226 -5.536 9.268 1.00 0.00 H new ATOM 1985 N PHE D 48 18.339 -8.853 1.643 1.00 0.00 N ATOM 1986 CA PHE D 48 18.488 -9.752 0.502 1.00 0.00 C ATOM 1987 C PHE D 48 17.524 -9.367 -0.614 1.00 0.00 C ATOM 1988 O PHE D 48 16.509 -8.714 -0.372 1.00 0.00 O ATOM 1989 CB PHE D 48 18.228 -11.196 0.935 1.00 0.00 C ATOM 1990 CG PHE D 48 19.312 -11.636 1.892 1.00 0.00 C ATOM 1991 CD1 PHE D 48 20.584 -11.957 1.405 1.00 0.00 C ATOM 1992 CD2 PHE D 48 19.046 -11.724 3.265 1.00 0.00 C ATOM 1993 CE1 PHE D 48 21.591 -12.366 2.288 1.00 0.00 C ATOM 1994 CE2 PHE D 48 20.053 -12.134 4.149 1.00 0.00 C ATOM 1995 CZ PHE D 48 21.325 -12.453 3.660 1.00 0.00 C ATOM 0 H PHE D 48 17.425 -8.407 1.716 1.00 0.00 H new ATOM 0 HA PHE D 48 19.508 -9.667 0.127 1.00 0.00 H new ATOM 0 HB2 PHE D 48 17.252 -11.274 1.413 1.00 0.00 H new ATOM 0 HB3 PHE D 48 18.209 -11.851 0.064 1.00 0.00 H new ATOM 0 HD1 PHE D 48 20.789 -11.889 0.347 1.00 0.00 H new ATOM 0 HD2 PHE D 48 18.065 -11.476 3.642 1.00 0.00 H new ATOM 0 HE1 PHE D 48 22.572 -12.614 1.911 1.00 0.00 H new ATOM 0 HE2 PHE D 48 19.848 -12.204 5.207 1.00 0.00 H new ATOM 0 HZ PHE D 48 22.102 -12.767 4.341 1.00 0.00 H new ATOM 2005 N LYS D 49 17.848 -9.773 -1.838 1.00 0.00 N ATOM 2006 CA LYS D 49 16.999 -9.463 -2.981 1.00 0.00 C ATOM 2007 C LYS D 49 16.646 -7.978 -2.996 1.00 0.00 C ATOM 2008 O LYS D 49 15.626 -7.626 -2.427 1.00 0.00 O ATOM 2009 CB LYS D 49 15.717 -10.297 -2.921 1.00 0.00 C ATOM 2010 CG LYS D 49 14.879 -10.049 -4.176 1.00 0.00 C ATOM 2011 CD LYS D 49 13.622 -10.919 -4.134 1.00 0.00 C ATOM 2012 CE LYS D 49 12.788 -10.674 -5.391 1.00 0.00 C ATOM 2013 NZ LYS D 49 13.560 -11.099 -6.592 1.00 0.00 N ATOM 2014 OXT LYS D 49 17.402 -7.216 -3.577 1.00 0.00 O ATOM 0 H LYS D 49 18.684 -10.312 -2.062 1.00 0.00 H new ATOM 0 HA LYS D 49 17.544 -9.704 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS D 49 15.964 -11.356 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS D 49 15.143 -10.035 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS D 49 14.603 -8.996 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS D 49 15.463 -10.279 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS D 49 13.898 -11.971 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS D 49 13.036 -10.686 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS D 49 11.852 -11.229 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS D 49 12.528 -9.618 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS D 49 12.967 -10.995 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS D 49 14.408 -10.505 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS D 49 13.844 -12.094 -6.488 1.00 0.00 H new TER 2028 LYS D 49 HETATM 2029 S 3LW C 100 -2.970 4.814 -0.679 1.00 0.00 S HETATM 2030 BR 3LW C 100 -0.672 3.644 -2.149 1.00 0.00 BR HETATM 2031 C1 3LW C 100 -2.013 3.710 -0.805 1.00 0.00 C HETATM 2032 C2 3LW C 100 -2.196 2.767 0.123 1.00 0.00 C HETATM 2033 N2 3LW C 100 -5.172 6.232 0.346 1.00 0.00 N HETATM 2034 C3 3LW C 100 -3.217 3.133 0.900 1.00 0.00 C HETATM 2035 C5 3LW C 100 -4.867 5.026 1.127 1.00 0.00 C HETATM 2036 C10 3LW C 100 -6.145 7.208 0.893 1.00 0.00 C HETATM 2037 C12 3LW C 100 -3.715 4.312 0.491 1.00 0.00 C HETATM 2038 C61 3LW C 100 -6.352 8.396 -0.089 1.00 0.00 C HETATM 2039 C62 3LW C 100 -5.666 7.813 2.244 1.00 0.00 C HETATM 2040 C63 3LW C 100 -7.549 6.577 1.139 1.00 0.00 C HETATM 2041 C71 3LW C 100 -7.357 9.428 0.470 1.00 0.00 C HETATM 2042 C72 3LW C 100 -6.677 8.840 2.792 1.00 0.00 C HETATM 2043 C73 3LW C 100 -8.545 7.617 1.691 1.00 0.00 C HETATM 2044 C81 3LW C 100 -6.842 9.989 1.800 1.00 0.00 C HETATM 2045 C82 3LW C 100 -8.039 8.174 3.025 1.00 0.00 C HETATM 2046 C83 3LW C 100 -8.717 8.765 0.697 1.00 0.00 C