USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 CYS SG : rot 48:sc= 0.226 USER MOD Set 1.2: A 91 HIS : no HE2:sc= 0.77 K(o=2.2,f=-3.6!) USER MOD Set 1.3: A 116 THR OG1 : rot 95:sc= 1.23 USER MOD Set 2.1: A 98 SER OG : rot -110:sc= 0.493 USER MOD Set 2.2: A 100 GLN : amide:sc= 0.516 K(o=1,f=-4.3!) USER MOD Set 3.1: A 82 HIS : no HE2:sc= -1.15 K(o=-0.27,f=-11!) USER MOD Set 3.2: A 88 SER OG : rot 164:sc= 0.878 USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.903) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0.918 (180deg=0.914) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 9 MET CE :methyl -150:sc= -0.111 (180deg=-0.371) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc=-0.00253 X(o=-0.0025,f=0) USER MOD Single : A 27 THR OG1 : rot -120:sc= -0.116 USER MOD Single : A 30 ASN : amide:sc= 0.89 K(o=0.89,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.47 K(o=1.5,f=-6.1!) USER MOD Single : A 40 TYR OH : rot -15:sc= -0.1 USER MOD Single : A 41 ASN : amide:sc= -0.589 K(o=-0.59,f=-2.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -0.0494 K(o=-0.049,f=-2.6!) USER MOD Single : A 54 SER OG : rot 72:sc= 0.499 USER MOD Single : A 55 GLN : amide:sc= 0.666 K(o=0.67,f=-3!) USER MOD Single : A 58 CYS SG : rot -179:sc= -0.551 USER MOD Single : A 62 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -142:sc= 0.25 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 47:sc= 0.398 USER MOD Single : A 77 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.6!) USER MOD Single : A 78 ASN : amide:sc= 1.02 K(o=1,f=-8.5!) USER MOD Single : A 80 HIS : no HD1:sc= 1.05 K(o=1.1,f=-7.5!) USER MOD Single : A 84 THR OG1 : rot -74:sc= 0.763 USER MOD Single : A 87 MET CE :methyl -165:sc= -0.351 (180deg=-0.48) USER MOD Single : A 89 MET CE :methyl -115:sc= -0.678 (180deg=-1.29) USER MOD Single : A 96 THR OG1 : rot 53:sc= 0.713 USER MOD Single : A 99 CYS SG : rot -100:sc= -0.245 USER MOD Single : A 105 HIS : no HD1:sc= -0.0783 K(o=-0.078,f=-9!) USER MOD Single : A 108 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.42) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0.737 K(o=0.74,f=-4.1!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -127:sc= 0 (180deg=-0.0376) USER MOD Single : A 130 THR OG1 : rot -89:sc= 1.23 USER MOD Single : A 131 MET CE :methyl -134:sc= -0.0217 (180deg=-0.809) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.925 K(o=-0.93,f=-6.5!) USER MOD Single : A 137 MET CE :methyl -153:sc= -0.696 (180deg=-1.66) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -6.339 1.214 -12.971 1.00 0.00 N ATOM 19 CA ALA A 2 -5.810 0.739 -11.698 1.00 0.00 C ATOM 20 C ALA A 2 -4.291 0.839 -11.662 1.00 0.00 C ATOM 21 O ALA A 2 -3.641 0.967 -12.700 1.00 0.00 O ATOM 22 CB ALA A 2 -6.253 -0.695 -11.443 1.00 0.00 C ATOM 0 HA ALA A 2 -6.208 1.376 -10.908 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.850 -1.036 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.342 -0.740 -11.414 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.884 -1.337 -12.243 1.00 0.00 H new ATOM 28 N LYS A 3 -3.728 0.778 -10.459 1.00 0.00 N ATOM 29 CA LYS A 3 -2.283 0.864 -10.285 1.00 0.00 C ATOM 30 C LYS A 3 -1.817 -0.003 -9.122 1.00 0.00 C ATOM 31 O LYS A 3 -2.630 -0.535 -8.366 1.00 0.00 O ATOM 32 CB LYS A 3 -1.854 2.315 -10.064 1.00 0.00 C ATOM 33 CG LYS A 3 -2.500 2.986 -8.860 1.00 0.00 C ATOM 34 CD LYS A 3 -2.080 4.444 -8.747 1.00 0.00 C ATOM 35 CE LYS A 3 -2.681 5.282 -9.865 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.538 6.740 -9.606 1.00 0.00 N ATOM 0 H LYS A 3 -4.251 0.669 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.815 0.493 -11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.771 2.347 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.093 2.892 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.585 2.924 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.220 2.453 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.395 4.841 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.993 4.515 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.194 5.032 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.737 5.035 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.621 7.262 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.286 7.052 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.607 6.927 -9.181 1.00 0.00 H new ATOM 50 N LYS A 4 -0.503 -0.141 -8.984 1.00 0.00 N ATOM 51 CA LYS A 4 0.074 -0.957 -7.921 1.00 0.00 C ATOM 52 C LYS A 4 1.462 -0.461 -7.538 1.00 0.00 C ATOM 53 O LYS A 4 2.014 0.430 -8.184 1.00 0.00 O ATOM 54 CB LYS A 4 0.140 -2.424 -8.348 1.00 0.00 C ATOM 55 CG LYS A 4 1.154 -2.716 -9.446 1.00 0.00 C ATOM 56 CD LYS A 4 1.239 -4.206 -9.740 1.00 0.00 C ATOM 57 CE LYS A 4 2.288 -4.504 -10.800 1.00 0.00 C ATOM 58 NZ LYS A 4 2.499 -5.966 -10.979 1.00 0.00 N ATOM 0 H LYS A 4 0.183 0.302 -9.595 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.572 -0.871 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.381 -3.033 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.847 -2.735 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.875 -2.180 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.134 -2.346 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.481 -4.746 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.267 -4.568 -10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.981 -4.063 -11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.230 -4.033 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.257 -6.125 -11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.768 -6.392 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.620 -6.404 -11.320 1.00 0.00 H new ATOM 72 N GLY A 5 2.023 -1.042 -6.483 1.00 0.00 N ATOM 73 CA GLY A 5 3.374 -0.706 -6.050 1.00 0.00 C ATOM 74 C GLY A 5 4.018 -1.867 -5.303 1.00 0.00 C ATOM 75 O GLY A 5 3.466 -2.967 -5.251 1.00 0.00 O ATOM 0 H GLY A 5 1.562 -1.749 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.982 -0.446 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.344 0.173 -5.406 1.00 0.00 H new ATOM 79 N TYR A 6 5.187 -1.616 -4.724 1.00 0.00 N ATOM 80 CA TYR A 6 5.858 -2.606 -3.891 1.00 0.00 C ATOM 81 C TYR A 6 6.838 -1.945 -2.930 1.00 0.00 C ATOM 82 O TYR A 6 7.405 -0.895 -3.231 1.00 0.00 O ATOM 83 CB TYR A 6 6.583 -3.635 -4.763 1.00 0.00 C ATOM 84 CG TYR A 6 7.593 -3.029 -5.712 1.00 0.00 C ATOM 85 CD1 TYR A 6 8.904 -2.845 -5.303 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.206 -2.658 -6.991 1.00 0.00 C ATOM 87 CE1 TYR A 6 9.827 -2.290 -6.170 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.128 -2.104 -7.858 1.00 0.00 C ATOM 89 CZ TYR A 6 9.433 -1.920 -7.452 1.00 0.00 C ATOM 90 OH TYR A 6 10.351 -1.369 -8.315 1.00 0.00 O ATOM 0 H TYR A 6 5.690 -0.734 -4.817 1.00 0.00 H new ATOM 0 HA TYR A 6 5.098 -3.117 -3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.090 -4.352 -4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.845 -4.192 -5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.205 -3.135 -4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.184 -2.802 -7.309 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.849 -2.144 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.827 -1.815 -8.854 1.00 0.00 H new ATOM 0 HH TYR A 6 9.916 -1.167 -9.170 1.00 0.00 H new ATOM 100 N ILE A 7 7.032 -2.567 -1.772 1.00 0.00 N ATOM 101 CA ILE A 7 8.007 -2.086 -0.799 1.00 0.00 C ATOM 102 C ILE A 7 9.322 -2.847 -0.915 1.00 0.00 C ATOM 103 O ILE A 7 9.352 -4.073 -0.807 1.00 0.00 O ATOM 104 CB ILE A 7 7.463 -2.217 0.634 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.181 -1.395 0.795 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.511 -1.776 1.644 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.431 -1.678 2.076 1.00 0.00 C ATOM 0 H ILE A 7 6.527 -3.405 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 7 8.190 -1.034 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 7 7.227 -3.265 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.433 -0.335 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.524 -1.595 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.109 -1.875 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.398 -2.401 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.778 -0.735 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.535 -1.058 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.146 -2.730 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.070 -1.451 2.929 1.00 0.00 H new ATOM 119 N LEU A 8 10.407 -2.114 -1.135 1.00 0.00 N ATOM 120 CA LEU A 8 11.747 -2.684 -1.056 1.00 0.00 C ATOM 121 C LEU A 8 12.334 -2.520 0.339 1.00 0.00 C ATOM 122 O LEU A 8 12.522 -1.401 0.817 1.00 0.00 O ATOM 123 CB LEU A 8 12.668 -2.019 -2.087 1.00 0.00 C ATOM 124 CG LEU A 8 14.133 -2.475 -2.062 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.209 -3.956 -2.410 1.00 0.00 C ATOM 126 CD2 LEU A 8 14.940 -1.641 -3.045 1.00 0.00 C ATOM 0 H LEU A 8 10.385 -1.122 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 8 11.670 -3.749 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.265 -2.207 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.639 -0.941 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 8 14.551 -2.333 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.249 -4.281 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.637 -4.531 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.795 -4.118 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.981 -1.964 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.536 -1.770 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.882 -0.590 -2.763 1.00 0.00 H new ATOM 138 N MET A 9 12.623 -3.641 0.991 1.00 0.00 N ATOM 139 CA MET A 9 13.149 -3.625 2.350 1.00 0.00 C ATOM 140 C MET A 9 14.670 -3.555 2.351 1.00 0.00 C ATOM 141 O MET A 9 15.321 -3.979 1.396 1.00 0.00 O ATOM 142 CB MET A 9 12.672 -4.857 3.116 1.00 0.00 C ATOM 143 CG MET A 9 11.160 -5.026 3.157 1.00 0.00 C ATOM 144 SD MET A 9 10.330 -3.660 3.994 1.00 0.00 S ATOM 145 CE MET A 9 10.841 -3.940 5.687 1.00 0.00 C ATOM 0 H MET A 9 12.501 -4.574 0.598 1.00 0.00 H new ATOM 0 HA MET A 9 12.772 -2.732 2.848 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.112 -5.745 2.662 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.047 -4.802 4.138 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.780 -5.108 2.139 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.916 -5.960 3.664 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.067 -3.581 6.365 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.998 -5.007 5.848 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.770 -3.403 5.880 1.00 0.00 H new ATOM 155 N GLU A 10 15.233 -3.017 3.428 1.00 0.00 N ATOM 156 CA GLU A 10 16.680 -2.954 3.586 1.00 0.00 C ATOM 157 C GLU A 10 17.286 -4.349 3.676 1.00 0.00 C ATOM 158 O GLU A 10 18.484 -4.531 3.457 1.00 0.00 O ATOM 159 CB GLU A 10 17.046 -2.148 4.835 1.00 0.00 C ATOM 160 CG GLU A 10 16.904 -0.642 4.674 1.00 0.00 C ATOM 161 CD GLU A 10 17.964 -0.045 3.791 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.863 -0.756 3.409 1.00 0.00 O ATOM 163 OE2 GLU A 10 17.875 1.124 3.495 1.00 0.00 O ATOM 0 H GLU A 10 14.707 -2.618 4.205 1.00 0.00 H new ATOM 0 HA GLU A 10 17.089 -2.458 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.414 -2.474 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.075 -2.376 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.922 -0.417 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.949 -0.171 5.656 1.00 0.00 H new ATOM 170 N ASN A 11 16.452 -5.331 3.998 1.00 0.00 N ATOM 171 CA ASN A 11 16.902 -6.714 4.107 1.00 0.00 C ATOM 172 C ASN A 11 16.819 -7.427 2.764 1.00 0.00 C ATOM 173 O ASN A 11 17.181 -8.598 2.648 1.00 0.00 O ATOM 174 CB ASN A 11 16.096 -7.456 5.156 1.00 0.00 C ATOM 175 CG ASN A 11 16.337 -6.934 6.546 1.00 0.00 C ATOM 176 OD1 ASN A 11 17.469 -6.953 7.042 1.00 0.00 O ATOM 177 ND2 ASN A 11 15.293 -6.468 7.183 1.00 0.00 N ATOM 0 H ASN A 11 15.459 -5.195 4.188 1.00 0.00 H new ATOM 0 HA ASN A 11 17.947 -6.703 4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.035 -7.373 4.920 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.349 -8.516 5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.395 -6.100 8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.377 -6.472 6.733 1.00 0.00 H new ATOM 184 N GLY A 12 16.341 -6.714 1.749 1.00 0.00 N ATOM 185 CA GLY A 12 16.256 -7.262 0.400 1.00 0.00 C ATOM 186 C GLY A 12 14.875 -7.842 0.127 1.00 0.00 C ATOM 187 O GLY A 12 14.606 -8.338 -0.967 1.00 0.00 O ATOM 0 H GLY A 12 16.006 -5.754 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.475 -6.480 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.011 -8.038 0.272 1.00 0.00 H new ATOM 191 N GLY A 13 14.002 -7.776 1.126 1.00 0.00 N ATOM 192 CA GLY A 13 12.651 -8.308 1.001 1.00 0.00 C ATOM 193 C GLY A 13 11.812 -7.462 0.051 1.00 0.00 C ATOM 194 O GLY A 13 12.086 -6.279 -0.148 1.00 0.00 O ATOM 0 H GLY A 13 14.207 -7.358 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.694 -9.335 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.176 -8.337 1.982 1.00 0.00 H new ATOM 198 N LYS A 14 10.789 -8.077 -0.533 1.00 0.00 N ATOM 199 CA LYS A 14 9.895 -7.377 -1.446 1.00 0.00 C ATOM 200 C LYS A 14 8.436 -7.639 -1.098 1.00 0.00 C ATOM 201 O LYS A 14 8.007 -8.789 -1.002 1.00 0.00 O ATOM 202 CB LYS A 14 10.174 -7.791 -2.893 1.00 0.00 C ATOM 203 CG LYS A 14 9.347 -7.044 -3.932 1.00 0.00 C ATOM 204 CD LYS A 14 9.696 -7.495 -5.342 1.00 0.00 C ATOM 205 CE LYS A 14 8.834 -6.788 -6.378 1.00 0.00 C ATOM 206 NZ LYS A 14 9.190 -7.192 -7.766 1.00 0.00 N ATOM 0 H LYS A 14 10.559 -9.060 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 14 10.083 -6.308 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.231 -7.633 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.985 -8.860 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.286 -7.212 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.521 -5.972 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.748 -7.291 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.558 -8.573 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.784 -7.014 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.951 -5.709 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.580 -6.688 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.185 -6.953 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.054 -8.217 -7.875 1.00 0.00 H new ATOM 220 N ILE A 15 7.674 -6.566 -0.911 1.00 0.00 N ATOM 221 CA ILE A 15 6.248 -6.678 -0.630 1.00 0.00 C ATOM 222 C ILE A 15 5.418 -5.991 -1.707 1.00 0.00 C ATOM 223 O ILE A 15 5.287 -4.768 -1.717 1.00 0.00 O ATOM 224 CB ILE A 15 5.910 -6.070 0.744 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.705 -6.772 1.848 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.417 -6.165 1.015 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.689 -6.041 3.172 1.00 0.00 C ATOM 0 H ILE A 15 8.021 -5.608 -0.949 1.00 0.00 H new ATOM 0 HA ILE A 15 6.002 -7.740 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 15 6.190 -5.017 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.301 -7.774 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.738 -6.889 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.196 -5.731 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.872 -5.621 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.111 -7.211 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.273 -6.600 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.121 -5.048 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.662 -5.948 3.524 1.00 0.00 H new ATOM 239 N GLU A 16 4.861 -6.787 -2.613 1.00 0.00 N ATOM 240 CA GLU A 16 4.101 -6.253 -3.737 1.00 0.00 C ATOM 241 C GLU A 16 2.619 -6.147 -3.400 1.00 0.00 C ATOM 242 O GLU A 16 2.038 -7.063 -2.819 1.00 0.00 O ATOM 243 CB GLU A 16 4.290 -7.134 -4.975 1.00 0.00 C ATOM 244 CG GLU A 16 3.580 -6.627 -6.222 1.00 0.00 C ATOM 245 CD GLU A 16 3.805 -7.505 -7.421 1.00 0.00 C ATOM 246 OE1 GLU A 16 4.509 -8.478 -7.297 1.00 0.00 O ATOM 247 OE2 GLU A 16 3.272 -7.202 -8.463 1.00 0.00 O ATOM 0 H GLU A 16 4.922 -7.805 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 16 4.478 -5.252 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.356 -7.217 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.930 -8.138 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.510 -6.560 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.927 -5.618 -6.446 1.00 0.00 H new ATOM 254 N PHE A 17 2.014 -5.023 -3.768 1.00 0.00 N ATOM 255 CA PHE A 17 0.638 -4.733 -3.384 1.00 0.00 C ATOM 256 C PHE A 17 -0.087 -3.957 -4.476 1.00 0.00 C ATOM 257 O PHE A 17 0.534 -3.227 -5.249 1.00 0.00 O ATOM 258 CB PHE A 17 0.603 -3.937 -2.078 1.00 0.00 C ATOM 259 CG PHE A 17 1.345 -2.633 -2.143 1.00 0.00 C ATOM 260 CD1 PHE A 17 0.704 -1.474 -2.554 1.00 0.00 C ATOM 261 CD2 PHE A 17 2.685 -2.562 -1.795 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.386 -0.273 -2.615 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.368 -1.363 -1.853 1.00 0.00 C ATOM 264 CZ PHE A 17 2.718 -0.217 -2.264 1.00 0.00 C ATOM 0 H PHE A 17 2.456 -4.297 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 17 0.128 -5.685 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.435 -3.741 -1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.028 -4.547 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.340 -1.510 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.201 -3.455 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.875 0.622 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.411 -1.322 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.251 0.721 -2.311 1.00 0.00 H new ATOM 274 N GLU A 18 -1.405 -4.119 -4.535 1.00 0.00 N ATOM 275 CA GLU A 18 -2.232 -3.342 -5.450 1.00 0.00 C ATOM 276 C GLU A 18 -2.819 -2.118 -4.760 1.00 0.00 C ATOM 277 O GLU A 18 -2.885 -2.058 -3.532 1.00 0.00 O ATOM 278 CB GLU A 18 -3.358 -4.209 -6.017 1.00 0.00 C ATOM 279 CG GLU A 18 -4.421 -4.604 -5.001 1.00 0.00 C ATOM 280 CD GLU A 18 -5.529 -5.423 -5.601 1.00 0.00 C ATOM 281 OE1 GLU A 18 -6.202 -4.930 -6.473 1.00 0.00 O ATOM 282 OE2 GLU A 18 -5.701 -6.546 -5.187 1.00 0.00 O ATOM 0 H GLU A 18 -1.923 -4.782 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.595 -3.002 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.837 -3.671 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.924 -5.114 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.953 -5.170 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.843 -3.703 -4.555 1.00 0.00 H new ATOM 289 N LEU A 19 -3.245 -1.143 -5.555 1.00 0.00 N ATOM 290 CA LEU A 19 -3.826 0.082 -5.021 1.00 0.00 C ATOM 291 C LEU A 19 -5.228 0.313 -5.572 1.00 0.00 C ATOM 292 O LEU A 19 -5.570 -0.175 -6.649 1.00 0.00 O ATOM 293 CB LEU A 19 -2.934 1.284 -5.359 1.00 0.00 C ATOM 294 CG LEU A 19 -1.572 1.319 -4.655 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.709 2.409 -5.276 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.775 1.564 -3.167 1.00 0.00 C ATOM 0 H LEU A 19 -3.199 -1.178 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.895 -0.026 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.766 1.297 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.475 2.197 -5.109 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.063 0.363 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.259 2.435 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.565 2.199 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.203 3.374 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.807 1.589 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.283 2.517 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.381 0.762 -2.745 1.00 0.00 H new ATOM 308 N PHE A 20 -6.036 1.057 -4.825 1.00 0.00 N ATOM 309 CA PHE A 20 -7.416 1.321 -5.218 1.00 0.00 C ATOM 310 C PHE A 20 -7.681 2.817 -5.322 1.00 0.00 C ATOM 311 O PHE A 20 -8.288 3.413 -4.430 1.00 0.00 O ATOM 312 CB PHE A 20 -8.387 0.693 -4.217 1.00 0.00 C ATOM 313 CG PHE A 20 -8.210 -0.789 -4.051 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.729 -1.674 -4.984 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.524 -1.302 -2.960 1.00 0.00 C ATOM 316 CE1 PHE A 20 -8.568 -3.037 -4.831 1.00 0.00 C ATOM 317 CE2 PHE A 20 -7.361 -2.665 -2.804 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.882 -3.534 -3.739 1.00 0.00 C ATOM 0 H PHE A 20 -5.759 1.488 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.573 0.873 -6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.259 1.176 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.408 0.894 -4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.265 -1.293 -5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.112 -0.628 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.978 -3.715 -5.565 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.825 -3.050 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.754 -4.600 -3.618 1.00 0.00 H new ATOM 328 N PRO A 21 -7.225 3.421 -6.413 1.00 0.00 N ATOM 329 CA PRO A 21 -7.380 4.857 -6.618 1.00 0.00 C ATOM 330 C PRO A 21 -8.834 5.219 -6.892 1.00 0.00 C ATOM 331 O PRO A 21 -9.213 6.389 -6.836 1.00 0.00 O ATOM 332 CB PRO A 21 -6.489 5.130 -7.834 1.00 0.00 C ATOM 333 CG PRO A 21 -6.464 3.833 -8.567 1.00 0.00 C ATOM 334 CD PRO A 21 -6.437 2.790 -7.482 1.00 0.00 C ATOM 0 HA PRO A 21 -7.101 5.451 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.895 5.930 -8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.487 5.437 -7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.341 3.720 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.589 3.758 -9.212 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.880 1.850 -7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.420 2.567 -7.159 1.00 0.00 H new ATOM 342 N ASN A 22 -9.644 4.210 -7.189 1.00 0.00 N ATOM 343 CA ASN A 22 -11.063 4.418 -7.453 1.00 0.00 C ATOM 344 C ASN A 22 -11.881 4.315 -6.171 1.00 0.00 C ATOM 345 O ASN A 22 -13.085 4.572 -6.170 1.00 0.00 O ATOM 346 CB ASN A 22 -11.565 3.428 -8.488 1.00 0.00 C ATOM 347 CG ASN A 22 -10.937 3.635 -9.838 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.071 4.706 -10.441 1.00 0.00 O ATOM 349 ND2 ASN A 22 -10.254 2.630 -10.324 1.00 0.00 N ATOM 0 H ASN A 22 -9.342 3.238 -7.253 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.186 5.425 -7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.357 2.414 -8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.648 3.519 -8.577 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.805 2.712 -11.236 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.170 1.765 -9.790 1.00 0.00 H new ATOM 356 N GLU A 23 -11.221 3.937 -5.082 1.00 0.00 N ATOM 357 CA GLU A 23 -11.889 3.783 -3.796 1.00 0.00 C ATOM 358 C GLU A 23 -11.391 4.813 -2.789 1.00 0.00 C ATOM 359 O GLU A 23 -12.152 5.295 -1.951 1.00 0.00 O ATOM 360 CB GLU A 23 -11.672 2.372 -3.247 1.00 0.00 C ATOM 361 CG GLU A 23 -12.288 1.267 -4.093 1.00 0.00 C ATOM 362 CD GLU A 23 -12.017 -0.108 -3.547 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.365 -0.207 -2.536 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.464 -1.060 -4.142 1.00 0.00 O ATOM 0 H GLU A 23 -10.222 3.731 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.955 3.945 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.601 2.191 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.089 2.318 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.365 1.422 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.897 1.333 -5.108 1.00 0.00 H new ATOM 371 N ALA A 24 -10.108 5.145 -2.878 1.00 0.00 N ATOM 372 CA ALA A 24 -9.518 6.160 -2.012 1.00 0.00 C ATOM 373 C ALA A 24 -8.443 6.952 -2.745 1.00 0.00 C ATOM 374 O ALA A 24 -7.252 6.802 -2.470 1.00 0.00 O ATOM 375 CB ALA A 24 -8.940 5.518 -0.760 1.00 0.00 C ATOM 0 H ALA A 24 -9.456 4.726 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.307 6.853 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.504 6.288 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.732 5.004 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.169 4.801 -1.042 1.00 0.00 H new ATOM 381 N PRO A 25 -8.869 7.795 -3.680 1.00 0.00 N ATOM 382 CA PRO A 25 -7.940 8.561 -4.502 1.00 0.00 C ATOM 383 C PRO A 25 -7.146 9.550 -3.659 1.00 0.00 C ATOM 384 O PRO A 25 -5.998 9.868 -3.974 1.00 0.00 O ATOM 385 CB PRO A 25 -8.865 9.277 -5.491 1.00 0.00 C ATOM 386 CG PRO A 25 -10.192 9.286 -4.810 1.00 0.00 C ATOM 387 CD PRO A 25 -10.248 7.967 -4.085 1.00 0.00 C ATOM 0 HA PRO A 25 -7.189 7.944 -4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.518 10.289 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.911 8.752 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.278 10.124 -4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.007 9.380 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.924 7.998 -3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.588 7.159 -4.732 1.00 0.00 H new ATOM 395 N VAL A 26 -7.761 10.035 -2.587 1.00 0.00 N ATOM 396 CA VAL A 26 -7.135 11.034 -1.729 1.00 0.00 C ATOM 397 C VAL A 26 -5.975 10.437 -0.943 1.00 0.00 C ATOM 398 O VAL A 26 -5.126 11.161 -0.422 1.00 0.00 O ATOM 399 CB VAL A 26 -8.169 11.620 -0.748 1.00 0.00 C ATOM 400 CG1 VAL A 26 -9.364 12.176 -1.506 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.606 10.552 0.242 1.00 0.00 C ATOM 0 H VAL A 26 -8.695 9.752 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.750 11.827 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.709 12.439 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.085 12.586 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.031 12.963 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.834 11.378 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.337 10.973 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.055 9.718 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.740 10.198 0.802 1.00 0.00 H new ATOM 411 N THR A 27 -5.943 9.111 -0.860 1.00 0.00 N ATOM 412 CA THR A 27 -4.876 8.412 -0.155 1.00 0.00 C ATOM 413 C THR A 27 -3.870 7.815 -1.132 1.00 0.00 C ATOM 414 O THR A 27 -2.660 7.914 -0.929 1.00 0.00 O ATOM 415 CB THR A 27 -5.442 7.300 0.748 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.349 7.871 1.700 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.318 6.590 1.486 1.00 0.00 C ATOM 0 H THR A 27 -6.646 8.498 -1.273 1.00 0.00 H new ATOM 0 HA THR A 27 -4.367 9.147 0.469 1.00 0.00 H new ATOM 0 HB THR A 27 -5.967 6.576 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.028 7.688 2.608 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.736 5.807 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.633 6.145 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.778 7.308 2.104 1.00 0.00 H new ATOM 425 N VAL A 28 -4.378 7.196 -2.191 1.00 0.00 N ATOM 426 CA VAL A 28 -3.528 6.522 -3.166 1.00 0.00 C ATOM 427 C VAL A 28 -2.669 7.521 -3.930 1.00 0.00 C ATOM 428 O VAL A 28 -1.494 7.268 -4.198 1.00 0.00 O ATOM 429 CB VAL A 28 -4.387 5.722 -4.162 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.532 5.209 -5.312 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.073 4.568 -3.444 1.00 0.00 C ATOM 0 H VAL A 28 -5.376 7.147 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.873 5.842 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.151 6.379 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.156 4.646 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.079 6.052 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.748 4.561 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.679 4.006 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.320 3.910 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.712 4.960 -2.653 1.00 0.00 H new ATOM 441 N ALA A 29 -3.261 8.659 -4.279 1.00 0.00 N ATOM 442 CA ALA A 29 -2.548 9.701 -5.008 1.00 0.00 C ATOM 443 C ALA A 29 -1.374 10.236 -4.199 1.00 0.00 C ATOM 444 O ALA A 29 -0.261 10.359 -4.708 1.00 0.00 O ATOM 445 CB ALA A 29 -3.497 10.833 -5.376 1.00 0.00 C ATOM 0 H ALA A 29 -4.234 8.883 -4.068 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.152 9.260 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.951 11.604 -5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.299 10.446 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.922 11.262 -4.468 1.00 0.00 H new ATOM 451 N ASN A 30 -1.630 10.553 -2.933 1.00 0.00 N ATOM 452 CA ASN A 30 -0.598 11.089 -2.055 1.00 0.00 C ATOM 453 C ASN A 30 0.437 10.027 -1.709 1.00 0.00 C ATOM 454 O ASN A 30 1.630 10.316 -1.615 1.00 0.00 O ATOM 455 CB ASN A 30 -1.217 11.662 -0.793 1.00 0.00 C ATOM 456 CG ASN A 30 -1.800 13.032 -1.006 1.00 0.00 C ATOM 457 OD1 ASN A 30 -1.068 14.003 -1.233 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.103 13.129 -0.937 1.00 0.00 N ATOM 0 H ASN A 30 -2.544 10.447 -2.493 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.089 11.892 -2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.998 10.990 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.459 11.711 -0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.555 14.033 -1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.667 12.300 -0.747 1.00 0.00 H new ATOM 465 N PHE A 31 -0.026 8.796 -1.521 1.00 0.00 N ATOM 466 CA PHE A 31 0.868 7.671 -1.271 1.00 0.00 C ATOM 467 C PHE A 31 1.851 7.483 -2.418 1.00 0.00 C ATOM 468 O PHE A 31 3.061 7.411 -2.206 1.00 0.00 O ATOM 469 CB PHE A 31 0.064 6.386 -1.065 1.00 0.00 C ATOM 470 CG PHE A 31 0.908 5.193 -0.714 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.211 4.903 0.607 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.402 4.359 -1.706 1.00 0.00 C ATOM 473 CE1 PHE A 31 1.987 3.806 0.930 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.177 3.262 -1.387 1.00 0.00 C ATOM 475 CZ PHE A 31 2.470 2.986 -0.066 1.00 0.00 C ATOM 0 H PHE A 31 -1.016 8.552 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 31 1.433 7.891 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.667 6.549 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.496 6.169 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.836 5.542 1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.178 4.570 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.215 3.592 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.554 2.620 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.077 2.129 0.186 1.00 0.00 H new ATOM 485 N GLU A 32 1.324 7.403 -3.635 1.00 0.00 N ATOM 486 CA GLU A 32 2.158 7.273 -4.824 1.00 0.00 C ATOM 487 C GLU A 32 3.139 8.432 -4.938 1.00 0.00 C ATOM 488 O GLU A 32 4.337 8.227 -5.133 1.00 0.00 O ATOM 489 CB GLU A 32 1.287 7.203 -6.081 1.00 0.00 C ATOM 490 CG GLU A 32 2.070 7.171 -7.387 1.00 0.00 C ATOM 491 CD GLU A 32 1.182 7.141 -8.600 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.015 7.170 -8.438 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.701 7.091 -9.690 1.00 0.00 O ATOM 0 H GLU A 32 0.322 7.426 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 32 2.728 6.349 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.660 6.313 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.618 8.064 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.717 8.046 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.718 6.294 -7.395 1.00 0.00 H new ATOM 500 N LYS A 33 2.624 9.651 -4.815 1.00 0.00 N ATOM 501 CA LYS A 33 3.446 10.848 -4.950 1.00 0.00 C ATOM 502 C LYS A 33 4.639 10.806 -4.004 1.00 0.00 C ATOM 503 O LYS A 33 5.789 10.900 -4.435 1.00 0.00 O ATOM 504 CB LYS A 33 2.612 12.103 -4.690 1.00 0.00 C ATOM 505 CG LYS A 33 3.388 13.408 -4.802 1.00 0.00 C ATOM 506 CD LYS A 33 2.484 14.610 -4.569 1.00 0.00 C ATOM 507 CE LYS A 33 3.265 15.914 -4.644 1.00 0.00 C ATOM 508 NZ LYS A 33 2.392 17.099 -4.431 1.00 0.00 N ATOM 0 H LYS A 33 1.640 9.836 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 33 3.823 10.880 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.782 12.126 -5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.179 12.036 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.200 13.414 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.844 13.479 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.687 14.618 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.007 14.525 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.056 15.907 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.750 15.991 -5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.963 17.966 -4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.652 17.121 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.949 17.040 -3.492 1.00 0.00 H new ATOM 522 N LEU A 34 4.359 10.664 -2.713 1.00 0.00 N ATOM 523 CA LEU A 34 5.402 10.700 -1.695 1.00 0.00 C ATOM 524 C LEU A 34 6.371 9.536 -1.858 1.00 0.00 C ATOM 525 O LEU A 34 7.584 9.704 -1.727 1.00 0.00 O ATOM 526 CB LEU A 34 4.777 10.660 -0.294 1.00 0.00 C ATOM 527 CG LEU A 34 3.962 11.896 0.106 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.299 11.654 1.455 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.876 13.112 0.157 1.00 0.00 C ATOM 0 H LEU A 34 3.418 10.523 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 34 5.957 11.630 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.131 9.785 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.575 10.522 0.436 1.00 0.00 H new ATOM 0 HG LEU A 34 3.182 12.082 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.720 12.533 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.637 10.790 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.064 11.465 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.297 13.991 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.664 12.944 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.322 13.273 -0.824 1.00 0.00 H new ATOM 541 N ALA A 35 5.830 8.358 -2.143 1.00 0.00 N ATOM 542 CA ALA A 35 6.649 7.169 -2.351 1.00 0.00 C ATOM 543 C ALA A 35 7.689 7.400 -3.440 1.00 0.00 C ATOM 544 O ALA A 35 8.882 7.185 -3.228 1.00 0.00 O ATOM 545 CB ALA A 35 5.772 5.976 -2.703 1.00 0.00 C ATOM 0 H ALA A 35 4.827 8.200 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 35 7.176 6.957 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.398 5.097 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.072 5.787 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.217 6.189 -3.617 1.00 0.00 H new ATOM 551 N ASN A 36 7.230 7.840 -4.606 1.00 0.00 N ATOM 552 CA ASN A 36 8.097 7.973 -5.770 1.00 0.00 C ATOM 553 C ASN A 36 9.021 9.176 -5.635 1.00 0.00 C ATOM 554 O ASN A 36 10.087 9.225 -6.249 1.00 0.00 O ATOM 555 CB ASN A 36 7.273 8.073 -7.042 1.00 0.00 C ATOM 556 CG ASN A 36 6.629 6.768 -7.418 1.00 0.00 C ATOM 557 OD1 ASN A 36 7.061 5.698 -6.973 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.604 6.835 -8.229 1.00 0.00 N ATOM 0 H ASN A 36 6.260 8.111 -4.770 1.00 0.00 H new ATOM 0 HA ASN A 36 8.718 7.079 -5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.500 8.831 -6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.912 8.407 -7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.127 5.982 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.283 7.741 -8.571 1.00 0.00 H new ATOM 565 N GLU A 37 8.607 10.146 -4.826 1.00 0.00 N ATOM 566 CA GLU A 37 9.426 11.321 -4.557 1.00 0.00 C ATOM 567 C GLU A 37 10.391 11.068 -3.407 1.00 0.00 C ATOM 568 O GLU A 37 11.090 11.977 -2.959 1.00 0.00 O ATOM 569 CB GLU A 37 8.539 12.527 -4.236 1.00 0.00 C ATOM 570 CG GLU A 37 7.780 13.085 -5.431 1.00 0.00 C ATOM 571 CD GLU A 37 6.879 14.233 -5.067 1.00 0.00 C ATOM 572 OE1 GLU A 37 6.800 14.556 -3.907 1.00 0.00 O ATOM 573 OE2 GLU A 37 6.268 14.785 -5.951 1.00 0.00 O ATOM 0 H GLU A 37 7.708 10.141 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 37 10.009 11.533 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.822 12.241 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.160 13.317 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.493 13.415 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.184 12.290 -5.880 1.00 0.00 H new ATOM 580 N GLY A 38 10.427 9.828 -2.932 1.00 0.00 N ATOM 581 CA GLY A 38 11.494 9.376 -2.048 1.00 0.00 C ATOM 582 C GLY A 38 11.232 9.799 -0.607 1.00 0.00 C ATOM 583 O GLY A 38 12.146 9.823 0.218 1.00 0.00 O ATOM 0 H GLY A 38 9.728 9.117 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.579 8.291 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.446 9.787 -2.383 1.00 0.00 H new ATOM 587 N PHE A 39 9.981 10.133 -0.313 1.00 0.00 N ATOM 588 CA PHE A 39 9.582 10.488 1.044 1.00 0.00 C ATOM 589 C PHE A 39 9.367 9.246 1.899 1.00 0.00 C ATOM 590 O PHE A 39 9.402 9.312 3.128 1.00 0.00 O ATOM 591 CB PHE A 39 8.302 11.326 1.023 1.00 0.00 C ATOM 592 CG PHE A 39 8.522 12.758 0.622 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.873 13.711 1.566 1.00 0.00 C ATOM 594 CD2 PHE A 39 8.380 13.153 -0.700 1.00 0.00 C ATOM 595 CE1 PHE A 39 9.074 15.029 1.199 1.00 0.00 C ATOM 596 CE2 PHE A 39 8.583 14.469 -1.070 1.00 0.00 C ATOM 597 CZ PHE A 39 8.929 15.407 -0.120 1.00 0.00 C ATOM 0 H PHE A 39 9.225 10.165 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 39 10.389 11.074 1.483 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.591 10.870 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.846 11.301 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.991 13.421 2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.108 12.424 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.344 15.762 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.471 14.763 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.086 16.436 -0.408 1.00 0.00 H new ATOM 607 N TYR A 40 9.144 8.113 1.241 1.00 0.00 N ATOM 608 CA TYR A 40 8.970 6.845 1.939 1.00 0.00 C ATOM 609 C TYR A 40 10.251 6.021 1.914 1.00 0.00 C ATOM 610 O TYR A 40 10.216 4.797 2.040 1.00 0.00 O ATOM 611 CB TYR A 40 7.816 6.050 1.322 1.00 0.00 C ATOM 612 CG TYR A 40 6.459 6.687 1.525 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.310 7.729 2.430 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.365 6.231 0.807 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.071 8.311 2.615 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.125 6.813 0.992 1.00 0.00 C ATOM 617 CZ TYR A 40 3.977 7.849 1.892 1.00 0.00 C ATOM 618 OH TYR A 40 2.742 8.428 2.076 1.00 0.00 O ATOM 0 H TYR A 40 9.080 8.047 0.225 1.00 0.00 H new ATOM 0 HA TYR A 40 8.731 7.065 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.997 5.935 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.805 5.049 1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.163 8.085 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.481 5.421 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.953 9.122 3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.272 6.457 0.433 1.00 0.00 H new ATOM 0 HH TYR A 40 2.751 8.964 2.897 1.00 0.00 H new ATOM 628 N ASN A 41 11.382 6.699 1.750 1.00 0.00 N ATOM 629 CA ASN A 41 12.676 6.031 1.703 1.00 0.00 C ATOM 630 C ASN A 41 13.341 6.020 3.073 1.00 0.00 C ATOM 631 O ASN A 41 13.677 7.071 3.620 1.00 0.00 O ATOM 632 CB ASN A 41 13.580 6.689 0.676 1.00 0.00 C ATOM 633 CG ASN A 41 14.902 5.987 0.534 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.661 5.865 1.503 1.00 0.00 O ATOM 635 ND2 ASN A 41 15.191 5.520 -0.653 1.00 0.00 N ATOM 0 H ASN A 41 11.428 7.713 1.647 1.00 0.00 H new ATOM 0 HA ASN A 41 12.508 4.996 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.075 6.704 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.753 7.727 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.073 5.032 -0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.534 5.644 -1.424 1.00 0.00 H new ATOM 642 N GLY A 42 13.527 4.826 3.625 1.00 0.00 N ATOM 643 CA GLY A 42 14.268 4.664 4.871 1.00 0.00 C ATOM 644 C GLY A 42 13.344 4.773 6.078 1.00 0.00 C ATOM 645 O GLY A 42 13.795 5.027 7.195 1.00 0.00 O ATOM 0 H GLY A 42 13.174 3.955 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.767 3.695 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.047 5.424 4.936 1.00 0.00 H new ATOM 649 N LEU A 43 12.050 4.579 5.846 1.00 0.00 N ATOM 650 CA LEU A 43 11.069 4.591 6.924 1.00 0.00 C ATOM 651 C LEU A 43 11.252 3.395 7.849 1.00 0.00 C ATOM 652 O LEU A 43 11.613 2.304 7.406 1.00 0.00 O ATOM 653 CB LEU A 43 9.648 4.586 6.347 1.00 0.00 C ATOM 654 CG LEU A 43 9.246 5.837 5.555 1.00 0.00 C ATOM 655 CD1 LEU A 43 7.817 5.685 5.054 1.00 0.00 C ATOM 656 CD2 LEU A 43 9.387 7.065 6.442 1.00 0.00 C ATOM 0 H LEU A 43 11.656 4.411 4.920 1.00 0.00 H new ATOM 0 HA LEU A 43 11.221 5.501 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.543 3.718 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.943 4.456 7.168 1.00 0.00 H new ATOM 0 HG LEU A 43 9.901 5.958 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.532 6.574 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.749 4.810 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.145 5.562 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.102 7.954 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.739 6.962 7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.422 7.160 6.770 1.00 0.00 H new ATOM 668 N THR A 44 11.001 3.605 9.136 1.00 0.00 N ATOM 669 CA THR A 44 11.145 2.546 10.128 1.00 0.00 C ATOM 670 C THR A 44 9.796 2.163 10.724 1.00 0.00 C ATOM 671 O THR A 44 8.931 3.016 10.926 1.00 0.00 O ATOM 672 CB THR A 44 12.107 2.968 11.254 1.00 0.00 C ATOM 673 OG1 THR A 44 13.370 3.344 10.690 1.00 0.00 O ATOM 674 CG2 THR A 44 12.315 1.823 12.235 1.00 0.00 C ATOM 0 H THR A 44 10.696 4.501 9.518 1.00 0.00 H new ATOM 0 HA THR A 44 11.561 1.678 9.616 1.00 0.00 H new ATOM 0 HB THR A 44 11.672 3.814 11.786 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.981 3.614 11.407 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.998 2.139 13.024 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.358 1.542 12.674 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.739 0.967 11.710 1.00 0.00 H new ATOM 682 N PHE A 45 9.623 0.876 11.005 1.00 0.00 N ATOM 683 CA PHE A 45 8.391 0.382 11.608 1.00 0.00 C ATOM 684 C PHE A 45 8.393 0.594 13.117 1.00 0.00 C ATOM 685 O PHE A 45 9.450 0.719 13.734 1.00 0.00 O ATOM 686 CB PHE A 45 8.202 -1.103 11.297 1.00 0.00 C ATOM 687 CG PHE A 45 7.675 -1.371 9.916 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.544 -1.534 8.847 1.00 0.00 C ATOM 689 CD2 PHE A 45 6.311 -1.460 9.683 1.00 0.00 C ATOM 690 CE1 PHE A 45 8.060 -1.780 7.576 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.825 -1.707 8.413 1.00 0.00 C ATOM 692 CZ PHE A 45 6.701 -1.867 7.359 1.00 0.00 C ATOM 0 H PHE A 45 10.322 0.155 10.824 1.00 0.00 H new ATOM 0 HA PHE A 45 7.563 0.947 11.180 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.157 -1.614 11.417 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.517 -1.533 12.027 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.610 -1.468 9.010 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.620 -1.335 10.504 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.747 -1.904 6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.760 -1.775 8.246 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.323 -2.060 6.366 1.00 0.00 H new ATOM 702 N HIS A 46 7.203 0.634 13.705 1.00 0.00 N ATOM 703 CA HIS A 46 7.050 1.031 15.100 1.00 0.00 C ATOM 704 C HIS A 46 6.423 -0.084 15.925 1.00 0.00 C ATOM 705 O HIS A 46 6.909 -0.419 17.006 1.00 0.00 O ATOM 706 CB HIS A 46 6.195 2.299 15.211 1.00 0.00 C ATOM 707 CG HIS A 46 6.079 2.825 16.607 1.00 0.00 C ATOM 708 ND1 HIS A 46 7.163 3.296 17.317 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.008 2.955 17.425 1.00 0.00 C ATOM 710 CE1 HIS A 46 6.764 3.694 18.512 1.00 0.00 C ATOM 711 NE2 HIS A 46 5.461 3.498 18.601 1.00 0.00 N ATOM 0 H HIS A 46 6.329 0.396 13.237 1.00 0.00 H new ATOM 0 HA HIS A 46 8.046 1.236 15.494 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.624 3.073 14.575 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.197 2.088 14.827 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.123 3.332 16.973 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.989 2.682 17.195 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.395 4.109 19.284 1.00 0.00 H new ATOM 718 N ARG A 47 5.340 -0.658 15.410 1.00 0.00 N ATOM 719 CA ARG A 47 4.656 -1.751 16.091 1.00 0.00 C ATOM 720 C ARG A 47 4.256 -2.845 15.110 1.00 0.00 C ATOM 721 O ARG A 47 3.155 -2.826 14.560 1.00 0.00 O ATOM 722 CB ARG A 47 3.415 -1.240 16.810 1.00 0.00 C ATOM 723 CG ARG A 47 3.693 -0.324 17.991 1.00 0.00 C ATOM 724 CD ARG A 47 4.294 -1.064 19.131 1.00 0.00 C ATOM 725 NE ARG A 47 4.486 -0.210 20.291 1.00 0.00 N ATOM 726 CZ ARG A 47 5.592 0.523 20.526 1.00 0.00 C ATOM 727 NH1 ARG A 47 6.593 0.495 19.673 1.00 0.00 N ATOM 728 NH2 ARG A 47 5.672 1.271 21.613 1.00 0.00 N ATOM 0 H ARG A 47 4.917 -0.384 14.523 1.00 0.00 H new ATOM 0 HA ARG A 47 5.350 -2.169 16.820 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.791 -0.706 16.093 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.837 -2.095 17.160 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.366 0.476 17.681 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.764 0.148 18.312 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.650 -1.902 19.400 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.253 -1.483 18.826 1.00 0.00 H new ATOM 0 HE ARG A 47 3.731 -0.162 20.975 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.532 -0.082 18.834 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.430 1.050 19.851 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.896 1.294 22.275 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.510 1.825 21.790 1.00 0.00 H new ATOM 742 N VAL A 48 5.156 -3.799 14.896 1.00 0.00 N ATOM 743 CA VAL A 48 4.874 -4.939 14.031 1.00 0.00 C ATOM 744 C VAL A 48 4.550 -6.183 14.847 1.00 0.00 C ATOM 745 O VAL A 48 5.410 -6.721 15.544 1.00 0.00 O ATOM 746 CB VAL A 48 6.080 -5.227 13.118 1.00 0.00 C ATOM 747 CG1 VAL A 48 5.806 -6.440 12.242 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.388 -4.006 12.265 1.00 0.00 C ATOM 0 H VAL A 48 6.088 -3.805 15.310 1.00 0.00 H new ATOM 0 HA VAL A 48 4.006 -4.686 13.422 1.00 0.00 H new ATOM 0 HB VAL A 48 6.949 -5.447 13.739 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.668 -6.630 11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.623 -7.310 12.872 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.930 -6.251 11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.242 -4.218 11.622 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.522 -3.764 11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.621 -3.160 12.911 1.00 0.00 H new ATOM 758 N ILE A 49 3.303 -6.635 14.758 1.00 0.00 N ATOM 759 CA ILE A 49 2.871 -7.835 15.465 1.00 0.00 C ATOM 760 C ILE A 49 2.416 -8.915 14.493 1.00 0.00 C ATOM 761 O ILE A 49 1.332 -8.828 13.917 1.00 0.00 O ATOM 762 CB ILE A 49 1.729 -7.512 16.446 1.00 0.00 C ATOM 763 CG1 ILE A 49 2.183 -6.471 17.473 1.00 0.00 C ATOM 764 CG2 ILE A 49 1.251 -8.777 17.141 1.00 0.00 C ATOM 765 CD1 ILE A 49 1.068 -5.950 18.349 1.00 0.00 C ATOM 0 H ILE A 49 2.574 -6.188 14.203 1.00 0.00 H new ATOM 0 HA ILE A 49 3.729 -8.208 16.025 1.00 0.00 H new ATOM 0 HB ILE A 49 0.895 -7.095 15.881 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.954 -6.911 18.106 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.642 -5.633 16.948 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.444 -8.530 17.831 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.888 -9.486 16.397 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.078 -9.223 17.694 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.468 -5.217 19.050 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.307 -5.479 17.727 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.624 -6.777 18.903 1.00 0.00 H new ATOM 777 N PRO A 50 3.252 -9.931 14.314 1.00 0.00 N ATOM 778 CA PRO A 50 2.917 -11.054 13.445 1.00 0.00 C ATOM 779 C PRO A 50 1.562 -11.647 13.809 1.00 0.00 C ATOM 780 O PRO A 50 1.340 -12.059 14.948 1.00 0.00 O ATOM 781 CB PRO A 50 4.056 -12.045 13.708 1.00 0.00 C ATOM 782 CG PRO A 50 5.213 -11.182 14.079 1.00 0.00 C ATOM 783 CD PRO A 50 4.607 -10.075 14.901 1.00 0.00 C ATOM 0 HA PRO A 50 2.830 -10.776 12.395 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.803 -12.739 14.510 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.274 -12.645 12.824 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.957 -11.738 14.649 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.716 -10.791 13.195 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.564 -10.334 15.959 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.182 -9.152 14.822 1.00 0.00 H new ATOM 791 N GLY A 51 0.659 -11.688 12.836 1.00 0.00 N ATOM 792 CA GLY A 51 -0.671 -12.248 13.048 1.00 0.00 C ATOM 793 C GLY A 51 -1.651 -11.181 13.517 1.00 0.00 C ATOM 794 O GLY A 51 -2.764 -11.490 13.940 1.00 0.00 O ATOM 0 H GLY A 51 0.824 -11.340 11.892 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.032 -12.695 12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.618 -13.047 13.788 1.00 0.00 H new ATOM 798 N PHE A 52 -1.229 -9.922 13.441 1.00 0.00 N ATOM 799 CA PHE A 52 -2.086 -8.803 13.813 1.00 0.00 C ATOM 800 C PHE A 52 -1.916 -7.635 12.851 1.00 0.00 C ATOM 801 O PHE A 52 -2.583 -7.567 11.818 1.00 0.00 O ATOM 802 CB PHE A 52 -1.776 -8.345 15.239 1.00 0.00 C ATOM 803 CG PHE A 52 -2.665 -7.236 15.726 1.00 0.00 C ATOM 804 CD1 PHE A 52 -4.041 -7.399 15.770 1.00 0.00 C ATOM 805 CD2 PHE A 52 -2.127 -6.026 16.138 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.860 -6.379 16.217 1.00 0.00 C ATOM 807 CE2 PHE A 52 -2.943 -5.005 16.586 1.00 0.00 C ATOM 808 CZ PHE A 52 -4.311 -5.182 16.625 1.00 0.00 C ATOM 0 H PHE A 52 -0.298 -9.652 13.125 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.120 -9.145 13.761 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.871 -9.197 15.913 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.739 -8.014 15.287 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.478 -8.334 15.451 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.057 -5.880 16.108 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.930 -6.520 16.247 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.510 -4.069 16.906 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.950 -4.385 16.974 1.00 0.00 H new ATOM 818 N VAL A 53 -1.018 -6.717 13.194 1.00 0.00 N ATOM 819 CA VAL A 53 -0.853 -5.485 12.433 1.00 0.00 C ATOM 820 C VAL A 53 0.615 -5.098 12.323 1.00 0.00 C ATOM 821 O VAL A 53 1.336 -5.065 13.321 1.00 0.00 O ATOM 822 CB VAL A 53 -1.635 -4.338 13.101 1.00 0.00 C ATOM 823 CG1 VAL A 53 -1.319 -3.012 12.423 1.00 0.00 C ATOM 824 CG2 VAL A 53 -3.127 -4.628 13.047 1.00 0.00 C ATOM 0 H VAL A 53 -0.393 -6.804 13.995 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.243 -5.659 11.430 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.331 -4.265 14.145 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.880 -2.213 12.908 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.252 -2.807 12.504 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.599 -3.065 11.371 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.674 -3.813 13.521 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.442 -4.720 12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.336 -5.559 13.573 1.00 0.00 H new ATOM 834 N SER A 54 1.054 -4.803 11.104 1.00 0.00 N ATOM 835 CA SER A 54 2.410 -4.315 10.875 1.00 0.00 C ATOM 836 C SER A 54 2.439 -2.795 10.782 1.00 0.00 C ATOM 837 O SER A 54 2.589 -2.233 9.697 1.00 0.00 O ATOM 838 CB SER A 54 2.974 -4.920 9.604 1.00 0.00 C ATOM 839 OG SER A 54 2.235 -4.516 8.485 1.00 0.00 O ATOM 0 H SER A 54 0.490 -4.893 10.259 1.00 0.00 H new ATOM 0 HA SER A 54 3.025 -4.617 11.723 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.015 -4.619 9.485 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.963 -6.007 9.678 1.00 0.00 H new ATOM 0 HG SER A 54 2.423 -3.574 8.292 1.00 0.00 H new ATOM 845 N GLN A 55 2.295 -2.135 11.925 1.00 0.00 N ATOM 846 CA GLN A 55 2.195 -0.680 11.963 1.00 0.00 C ATOM 847 C GLN A 55 3.573 -0.032 11.914 1.00 0.00 C ATOM 848 O GLN A 55 4.445 -0.344 12.725 1.00 0.00 O ATOM 849 CB GLN A 55 1.449 -0.226 13.220 1.00 0.00 C ATOM 850 CG GLN A 55 1.322 1.282 13.358 1.00 0.00 C ATOM 851 CD GLN A 55 0.513 1.685 14.576 1.00 0.00 C ATOM 852 OE1 GLN A 55 -0.694 1.930 14.484 1.00 0.00 O ATOM 853 NE2 GLN A 55 1.173 1.758 15.726 1.00 0.00 N ATOM 0 H GLN A 55 2.245 -2.584 12.839 1.00 0.00 H new ATOM 0 HA GLN A 55 1.635 -0.363 11.083 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.451 -0.665 13.215 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.965 -0.618 14.097 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.317 1.723 13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.852 1.688 12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.170 1.547 15.756 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.682 2.025 16.579 1.00 0.00 H new ATOM 862 N GLY A 56 3.763 0.870 10.957 1.00 0.00 N ATOM 863 CA GLY A 56 5.026 1.585 10.820 1.00 0.00 C ATOM 864 C GLY A 56 4.975 2.575 9.662 1.00 0.00 C ATOM 865 O GLY A 56 3.920 3.125 9.350 1.00 0.00 O ATOM 0 H GLY A 56 3.058 1.123 10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.249 2.115 11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.835 0.873 10.658 1.00 0.00 H new ATOM 869 N GLY A 57 6.123 2.797 9.030 1.00 0.00 N ATOM 870 CA GLY A 57 6.238 3.806 7.984 1.00 0.00 C ATOM 871 C GLY A 57 6.463 5.191 8.577 1.00 0.00 C ATOM 872 O GLY A 57 5.933 6.184 8.078 1.00 0.00 O ATOM 0 H GLY A 57 6.987 2.291 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.065 3.553 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.332 3.810 7.378 1.00 0.00 H new ATOM 876 N CYS A 58 7.251 5.251 9.645 1.00 0.00 N ATOM 877 CA CYS A 58 7.560 6.517 10.299 1.00 0.00 C ATOM 878 C CYS A 58 9.006 6.925 10.052 1.00 0.00 C ATOM 879 O CYS A 58 9.915 6.098 10.119 1.00 0.00 O ATOM 880 CB CYS A 58 7.312 6.419 11.804 1.00 0.00 C ATOM 881 SG CYS A 58 7.634 7.954 12.707 1.00 0.00 S ATOM 0 H CYS A 58 7.688 4.437 10.077 1.00 0.00 H new ATOM 0 HA CYS A 58 6.903 7.275 9.872 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.277 6.121 11.972 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.942 5.630 12.215 1.00 0.00 H new ATOM 0 HG CYS A 58 7.414 7.766 13.974 1.00 0.00 H new ATOM 887 N PRO A 59 9.213 8.207 9.767 1.00 0.00 N ATOM 888 CA PRO A 59 10.542 8.715 9.447 1.00 0.00 C ATOM 889 C PRO A 59 11.541 8.374 10.544 1.00 0.00 C ATOM 890 O PRO A 59 12.720 8.141 10.274 1.00 0.00 O ATOM 891 CB PRO A 59 10.316 10.227 9.339 1.00 0.00 C ATOM 892 CG PRO A 59 8.908 10.353 8.867 1.00 0.00 C ATOM 893 CD PRO A 59 8.170 9.257 9.590 1.00 0.00 C ATOM 0 HA PRO A 59 10.962 8.282 8.539 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.460 10.721 10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.014 10.685 8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.496 11.333 9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.839 10.232 7.786 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.776 9.599 10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.323 8.890 9.010 1.00 0.00 H new ATOM 901 N ARG A 60 11.064 8.346 11.785 1.00 0.00 N ATOM 902 CA ARG A 60 11.936 8.147 12.936 1.00 0.00 C ATOM 903 C ARG A 60 11.641 6.822 13.627 1.00 0.00 C ATOM 904 O ARG A 60 12.472 6.299 14.371 1.00 0.00 O ATOM 905 CB ARG A 60 11.772 9.283 13.934 1.00 0.00 C ATOM 906 CG ARG A 60 12.154 10.657 13.408 1.00 0.00 C ATOM 907 CD ARG A 60 12.016 11.704 14.453 1.00 0.00 C ATOM 908 NE ARG A 60 12.266 13.035 13.924 1.00 0.00 N ATOM 909 CZ ARG A 60 12.160 14.174 14.636 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.809 14.127 15.902 1.00 0.00 N ATOM 911 NH2 ARG A 60 12.409 15.337 14.062 1.00 0.00 N ATOM 0 H ARG A 60 10.077 8.459 12.018 1.00 0.00 H new ATOM 0 HA ARG A 60 12.963 8.132 12.571 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.733 9.312 14.262 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.378 9.065 14.813 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.183 10.636 13.048 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.523 10.909 12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.012 11.664 14.876 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.713 11.500 15.266 1.00 0.00 H new ATOM 0 HE ARG A 60 12.541 13.112 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.617 13.228 16.345 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.729 14.989 16.441 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.682 15.373 13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.329 16.199 14.601 1.00 0.00 H new ATOM 925 N GLY A 61 10.453 6.280 13.377 1.00 0.00 N ATOM 926 CA GLY A 61 10.034 5.031 14.000 1.00 0.00 C ATOM 927 C GLY A 61 9.572 5.258 15.434 1.00 0.00 C ATOM 928 O GLY A 61 9.581 4.339 16.253 1.00 0.00 O ATOM 0 H GLY A 61 9.763 6.688 12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.225 4.586 13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.861 4.321 13.990 1.00 0.00 H new ATOM 932 N ASN A 62 9.168 6.489 15.731 1.00 0.00 N ATOM 933 CA ASN A 62 8.734 6.848 17.077 1.00 0.00 C ATOM 934 C ASN A 62 7.214 6.865 17.179 1.00 0.00 C ATOM 935 O ASN A 62 6.656 7.218 18.218 1.00 0.00 O ATOM 936 CB ASN A 62 9.312 8.191 17.482 1.00 0.00 C ATOM 937 CG ASN A 62 10.798 8.136 17.709 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.347 7.084 18.054 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.457 9.250 17.521 1.00 0.00 N ATOM 0 H ASN A 62 9.132 7.255 15.058 1.00 0.00 H new ATOM 0 HA ASN A 62 9.107 6.089 17.764 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.093 8.925 16.707 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.821 8.534 18.393 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.467 9.274 17.659 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.961 10.094 17.236 1.00 0.00 H new ATOM 946 N GLY A 63 6.549 6.482 16.095 1.00 0.00 N ATOM 947 CA GLY A 63 5.093 6.408 16.076 1.00 0.00 C ATOM 948 C GLY A 63 4.478 7.746 15.685 1.00 0.00 C ATOM 949 O GLY A 63 3.257 7.885 15.628 1.00 0.00 O ATOM 0 H GLY A 63 6.996 6.218 15.217 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.775 5.639 15.372 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.729 6.111 17.059 1.00 0.00 H new ATOM 953 N THR A 64 5.333 8.728 15.418 1.00 0.00 N ATOM 954 CA THR A 64 4.875 10.070 15.080 1.00 0.00 C ATOM 955 C THR A 64 5.273 10.446 13.658 1.00 0.00 C ATOM 956 O THR A 64 6.452 10.645 13.365 1.00 0.00 O ATOM 957 CB THR A 64 5.435 11.112 16.066 1.00 0.00 C ATOM 958 OG1 THR A 64 4.986 10.807 17.393 1.00 0.00 O ATOM 959 CG2 THR A 64 4.972 12.509 15.686 1.00 0.00 C ATOM 0 H THR A 64 6.347 8.619 15.429 1.00 0.00 H new ATOM 0 HA THR A 64 3.787 10.067 15.151 1.00 0.00 H new ATOM 0 HB THR A 64 6.524 11.079 16.027 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.344 11.470 18.020 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.378 13.232 16.394 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.323 12.748 14.682 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.883 12.550 15.709 1.00 0.00 H new ATOM 967 N GLY A 65 4.282 10.542 12.778 1.00 0.00 N ATOM 968 CA GLY A 65 4.523 10.934 11.394 1.00 0.00 C ATOM 969 C GLY A 65 5.157 12.317 11.315 1.00 0.00 C ATOM 970 O GLY A 65 4.515 13.323 11.619 1.00 0.00 O ATOM 0 H GLY A 65 3.304 10.354 12.999 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.176 10.204 10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.582 10.930 10.843 1.00 0.00 H new ATOM 974 N ASP A 66 6.419 12.361 10.906 1.00 0.00 N ATOM 975 CA ASP A 66 7.151 13.619 10.811 1.00 0.00 C ATOM 976 C ASP A 66 7.361 14.027 9.359 1.00 0.00 C ATOM 977 O ASP A 66 8.184 14.891 9.059 1.00 0.00 O ATOM 978 CB ASP A 66 8.505 13.505 11.516 1.00 0.00 C ATOM 979 CG ASP A 66 8.375 13.267 13.014 1.00 0.00 C ATOM 980 OD1 ASP A 66 7.643 13.987 13.650 1.00 0.00 O ATOM 981 OD2 ASP A 66 9.010 12.366 13.509 1.00 0.00 O ATOM 0 H ASP A 66 6.958 11.539 10.634 1.00 0.00 H new ATOM 0 HA ASP A 66 6.553 14.387 11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.073 12.688 11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.075 14.418 11.347 1.00 0.00 H new ATOM 986 N ALA A 67 6.609 13.401 8.459 1.00 0.00 N ATOM 987 CA ALA A 67 6.697 13.713 7.038 1.00 0.00 C ATOM 988 C ALA A 67 6.171 15.113 6.747 1.00 0.00 C ATOM 989 O ALA A 67 6.650 15.790 5.838 1.00 0.00 O ATOM 990 CB ALA A 67 5.932 12.682 6.222 1.00 0.00 C ATOM 0 H ALA A 67 5.932 12.674 8.690 1.00 0.00 H new ATOM 0 HA ALA A 67 7.748 13.682 6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.007 12.928 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.356 11.693 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.884 12.685 6.522 1.00 0.00 H new ATOM 996 N GLY A 68 5.183 15.541 7.526 1.00 0.00 N ATOM 997 CA GLY A 68 4.586 16.860 7.350 1.00 0.00 C ATOM 998 C GLY A 68 3.410 16.807 6.384 1.00 0.00 C ATOM 999 O GLY A 68 2.941 17.839 5.904 1.00 0.00 O ATOM 0 H GLY A 68 4.779 14.993 8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.251 17.242 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.337 17.555 6.975 1.00 0.00 H new ATOM 1003 N TYR A 69 2.937 15.599 6.101 1.00 0.00 N ATOM 1004 CA TYR A 69 1.812 15.409 5.192 1.00 0.00 C ATOM 1005 C TYR A 69 0.649 14.717 5.892 1.00 0.00 C ATOM 1006 O TYR A 69 0.849 13.798 6.687 1.00 0.00 O ATOM 1007 CB TYR A 69 2.246 14.606 3.964 1.00 0.00 C ATOM 1008 CG TYR A 69 3.285 15.303 3.114 1.00 0.00 C ATOM 1009 CD1 TYR A 69 2.889 16.174 2.110 1.00 0.00 C ATOM 1010 CD2 TYR A 69 4.634 15.072 3.340 1.00 0.00 C ATOM 1011 CE1 TYR A 69 3.838 16.811 1.335 1.00 0.00 C ATOM 1012 CE2 TYR A 69 5.583 15.708 2.564 1.00 0.00 C ATOM 1013 CZ TYR A 69 5.181 16.581 1.559 1.00 0.00 C ATOM 1014 OH TYR A 69 6.126 17.215 0.786 1.00 0.00 O ATOM 0 H TYR A 69 3.316 14.735 6.488 1.00 0.00 H new ATOM 0 HA TYR A 69 1.474 16.393 4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.643 13.645 4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.370 14.396 3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.839 16.354 1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.942 14.395 4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.530 17.489 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.634 15.528 2.737 1.00 0.00 H new ATOM 0 HH TYR A 69 6.865 16.598 0.601 1.00 0.00 H new ATOM 1024 N THR A 70 -0.565 15.162 5.591 1.00 0.00 N ATOM 1025 CA THR A 70 -1.762 14.601 6.206 1.00 0.00 C ATOM 1026 C THR A 70 -2.761 14.141 5.152 1.00 0.00 C ATOM 1027 O THR A 70 -2.977 14.822 4.151 1.00 0.00 O ATOM 1028 CB THR A 70 -2.433 15.621 7.145 1.00 0.00 C ATOM 1029 OG1 THR A 70 -1.514 16.001 8.178 1.00 0.00 O ATOM 1030 CG2 THR A 70 -3.681 15.024 7.776 1.00 0.00 C ATOM 0 H THR A 70 -0.747 15.911 4.923 1.00 0.00 H new ATOM 0 HA THR A 70 -1.448 13.736 6.791 1.00 0.00 H new ATOM 0 HB THR A 70 -2.717 16.497 6.562 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.942 16.651 8.773 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.142 15.759 8.436 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.387 14.746 6.993 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.410 14.139 8.351 1.00 0.00 H new ATOM 1038 N ILE A 71 -3.365 12.981 5.383 1.00 0.00 N ATOM 1039 CA ILE A 71 -4.349 12.432 4.458 1.00 0.00 C ATOM 1040 C ILE A 71 -5.710 12.279 5.127 1.00 0.00 C ATOM 1041 O ILE A 71 -5.812 11.738 6.229 1.00 0.00 O ATOM 1042 CB ILE A 71 -3.889 11.068 3.912 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -2.597 11.224 3.106 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -4.980 10.442 3.057 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -1.990 9.912 2.664 1.00 0.00 C ATOM 0 H ILE A 71 -3.190 12.402 6.204 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.442 13.135 3.630 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.691 10.406 4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.801 11.834 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.868 11.766 3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.638 9.478 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.877 10.298 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.208 11.100 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.078 10.105 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.753 9.307 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.700 9.376 2.034 1.00 0.00 H new ATOM 1057 N PRO A 72 -6.751 12.758 4.456 1.00 0.00 N ATOM 1058 CA PRO A 72 -8.106 12.687 4.990 1.00 0.00 C ATOM 1059 C PRO A 72 -8.678 11.282 4.854 1.00 0.00 C ATOM 1060 O PRO A 72 -8.132 10.446 4.133 1.00 0.00 O ATOM 1061 CB PRO A 72 -8.870 13.695 4.128 1.00 0.00 C ATOM 1062 CG PRO A 72 -8.174 13.651 2.810 1.00 0.00 C ATOM 1063 CD PRO A 72 -6.718 13.500 3.161 1.00 0.00 C ATOM 0 HA PRO A 72 -8.163 12.912 6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.921 13.422 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.839 14.694 4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.525 12.817 2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.352 14.560 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.175 12.947 2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.227 14.468 3.264 1.00 0.00 H new ATOM 1071 N CYS A 73 -9.781 11.028 5.548 1.00 0.00 N ATOM 1072 CA CYS A 73 -10.405 9.709 5.542 1.00 0.00 C ATOM 1073 C CYS A 73 -11.526 9.635 4.513 1.00 0.00 C ATOM 1074 O CYS A 73 -12.668 9.992 4.800 1.00 0.00 O ATOM 1075 CB CYS A 73 -10.965 9.373 6.924 1.00 0.00 C ATOM 1076 SG CYS A 73 -11.704 7.726 7.040 1.00 0.00 S ATOM 0 H CYS A 73 -10.263 11.719 6.123 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.636 8.984 5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -10.163 9.453 7.658 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -11.716 10.116 7.190 1.00 0.00 H new ATOM 0 HG CYS A 73 -10.899 6.851 6.514 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.192 9.170 3.314 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.169 9.054 2.238 1.00 0.00 C ATOM 1084 C GLU A 74 -13.425 8.332 2.709 1.00 0.00 C ATOM 1085 O GLU A 74 -13.402 7.128 2.966 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.562 8.315 1.043 1.00 0.00 C ATOM 1087 CG GLU A 74 -12.476 8.223 -0.169 1.00 0.00 C ATOM 1088 CD GLU A 74 -12.646 9.540 -0.876 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -12.087 10.511 -0.424 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -13.333 9.574 -1.868 1.00 0.00 O ATOM 0 H GLU A 74 -10.251 8.867 3.063 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.447 10.062 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.640 8.818 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.290 7.307 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.072 7.491 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.453 7.857 0.146 1.00 0.00 H new ATOM 1097 N THR A 75 -14.521 9.075 2.821 1.00 0.00 N ATOM 1098 CA THR A 75 -15.783 8.513 3.288 1.00 0.00 C ATOM 1099 C THR A 75 -16.744 8.279 2.129 1.00 0.00 C ATOM 1100 O THR A 75 -17.549 9.147 1.793 1.00 0.00 O ATOM 1101 CB THR A 75 -16.446 9.429 4.332 1.00 0.00 C ATOM 1102 OG1 THR A 75 -15.552 9.626 5.435 1.00 0.00 O ATOM 1103 CG2 THR A 75 -17.741 8.812 4.839 1.00 0.00 C ATOM 0 H THR A 75 -14.561 10.069 2.594 1.00 0.00 H new ATOM 0 HA THR A 75 -15.556 7.554 3.755 1.00 0.00 H new ATOM 0 HB THR A 75 -16.671 10.386 3.862 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.658 9.843 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.195 9.474 5.576 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.428 8.672 4.005 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.528 7.847 5.300 1.00 0.00 H new ATOM 1111 N ASP A 76 -16.653 7.102 1.520 1.00 0.00 N ATOM 1112 CA ASP A 76 -17.490 6.765 0.375 1.00 0.00 C ATOM 1113 C ASP A 76 -17.804 5.275 0.340 1.00 0.00 C ATOM 1114 O ASP A 76 -17.915 4.629 1.383 1.00 0.00 O ATOM 1115 CB ASP A 76 -16.807 7.178 -0.931 1.00 0.00 C ATOM 1116 CG ASP A 76 -15.517 6.413 -1.192 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -15.185 5.560 -0.404 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.876 6.688 -2.178 1.00 0.00 O ATOM 0 H ASP A 76 -16.007 6.364 1.801 1.00 0.00 H new ATOM 0 HA ASP A 76 -18.426 7.314 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -17.494 7.016 -1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -16.590 8.246 -0.900 1.00 0.00 H new ATOM 1123 N ASN A 77 -17.946 4.732 -0.863 1.00 0.00 N ATOM 1124 CA ASN A 77 -18.302 3.329 -1.035 1.00 0.00 C ATOM 1125 C ASN A 77 -17.263 2.415 -0.398 1.00 0.00 C ATOM 1126 O ASN A 77 -17.582 1.316 0.055 1.00 0.00 O ATOM 1127 CB ASN A 77 -18.475 2.998 -2.506 1.00 0.00 C ATOM 1128 CG ASN A 77 -19.737 3.575 -3.084 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -20.677 3.902 -2.351 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -19.778 3.705 -4.385 1.00 0.00 N ATOM 0 H ASN A 77 -17.820 5.244 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 77 -19.252 3.160 -0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -17.618 3.377 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -18.484 1.915 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -20.610 4.090 -4.833 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -18.978 3.422 -4.951 1.00 0.00 H new ATOM 1137 N ASN A 78 -16.017 2.876 -0.367 1.00 0.00 N ATOM 1138 CA ASN A 78 -14.920 2.083 0.175 1.00 0.00 C ATOM 1139 C ASN A 78 -15.270 1.528 1.551 1.00 0.00 C ATOM 1140 O ASN A 78 -15.367 2.273 2.525 1.00 0.00 O ATOM 1141 CB ASN A 78 -13.647 2.906 0.239 1.00 0.00 C ATOM 1142 CG ASN A 78 -12.437 2.075 0.565 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -12.559 0.936 1.031 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -11.272 2.622 0.329 1.00 0.00 N ATOM 0 H ASN A 78 -15.742 3.796 -0.711 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.753 1.239 -0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.493 3.405 -0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.761 3.686 0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.416 2.105 0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.220 3.565 -0.056 1.00 0.00 H new ATOM 1151 N PRO A 79 -15.457 0.214 1.623 1.00 0.00 N ATOM 1152 CA PRO A 79 -15.837 -0.438 2.870 1.00 0.00 C ATOM 1153 C PRO A 79 -14.777 -0.232 3.944 1.00 0.00 C ATOM 1154 O PRO A 79 -15.079 -0.238 5.137 1.00 0.00 O ATOM 1155 CB PRO A 79 -15.954 -1.911 2.466 1.00 0.00 C ATOM 1156 CG PRO A 79 -16.260 -1.868 1.008 1.00 0.00 C ATOM 1157 CD PRO A 79 -15.436 -0.721 0.486 1.00 0.00 C ATOM 0 HA PRO A 79 -16.756 -0.042 3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.029 -2.452 2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.743 -2.415 3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.993 -2.804 0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.323 -1.707 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.422 -1.030 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.871 -0.282 -0.412 1.00 0.00 H new ATOM 1165 N HIS A 80 -13.533 -0.052 3.514 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.398 -0.057 4.428 1.00 0.00 C ATOM 1167 C HIS A 80 -12.355 -1.342 5.246 1.00 0.00 C ATOM 1168 O HIS A 80 -12.148 -1.311 6.459 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.453 1.151 5.368 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.416 2.468 4.658 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.378 2.836 3.828 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -13.286 3.504 4.654 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.613 4.042 3.343 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -12.764 4.470 3.829 1.00 0.00 N ATOM 0 H HIS A 80 -13.285 0.099 2.536 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.492 0.002 3.825 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.364 1.095 5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.614 1.099 6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.217 3.561 5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.973 4.586 2.664 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.195 5.372 3.625 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.553 -2.472 4.574 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.474 -3.774 5.224 1.00 0.00 C ATOM 1183 C ARG A 81 -11.038 -4.118 5.597 1.00 0.00 C ATOM 1184 O ARG A 81 -10.170 -4.222 4.730 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.033 -4.861 4.318 1.00 0.00 C ATOM 1186 CG ARG A 81 -13.077 -6.249 4.935 1.00 0.00 C ATOM 1187 CD ARG A 81 -13.641 -7.251 3.994 1.00 0.00 C ATOM 1188 NE ARG A 81 -15.050 -7.013 3.729 1.00 0.00 N ATOM 1189 CZ ARG A 81 -16.057 -7.403 4.537 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -15.794 -8.045 5.653 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -17.309 -7.137 4.206 1.00 0.00 N ATOM 0 H ARG A 81 -12.770 -2.511 3.578 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.070 -3.720 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.043 -4.580 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.431 -4.902 3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.071 -6.550 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.678 -6.224 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.085 -7.222 3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.514 -8.251 4.409 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.294 -6.516 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.828 -8.249 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.556 -8.340 6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.513 -6.637 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.071 -7.431 4.816 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.793 -4.291 6.891 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.450 -4.572 7.386 1.00 0.00 C ATOM 1207 C HIS A 82 -9.266 -6.059 7.664 1.00 0.00 C ATOM 1208 O HIS A 82 -9.398 -6.508 8.803 1.00 0.00 O ATOM 1209 CB HIS A 82 -9.163 -3.769 8.658 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.968 -2.305 8.415 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -10.015 -1.452 8.134 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.849 -1.543 8.409 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.547 -0.228 7.967 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.237 -0.256 8.128 1.00 0.00 N ATOM 0 H HIS A 82 -11.508 -4.242 7.617 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.745 -4.274 6.610 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.988 -3.905 9.357 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.270 -4.171 9.137 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.996 -1.724 8.066 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.840 -1.883 8.591 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.136 0.647 7.738 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.961 -6.818 6.617 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.711 -8.248 6.755 1.00 0.00 C ATOM 1223 C VAL A 83 -7.355 -8.629 6.174 1.00 0.00 C ATOM 1224 O VAL A 83 -6.596 -7.768 5.730 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.815 -9.054 6.047 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.164 -8.805 6.705 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.859 -8.686 4.571 1.00 0.00 C ATOM 0 H VAL A 83 -8.881 -6.466 5.663 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.713 -8.483 7.819 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.588 -10.116 6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.932 -9.383 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.120 -9.109 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.408 -7.744 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.642 -9.260 4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.069 -7.621 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.897 -8.913 4.111 1.00 0.00 H new ATOM 1237 N THR A 84 -7.058 -9.923 6.179 1.00 0.00 N ATOM 1238 CA THR A 84 -5.766 -10.414 5.715 1.00 0.00 C ATOM 1239 C THR A 84 -5.390 -9.796 4.374 1.00 0.00 C ATOM 1240 O THR A 84 -6.071 -10.007 3.370 1.00 0.00 O ATOM 1241 CB THR A 84 -5.766 -11.949 5.594 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.125 -12.530 6.854 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.392 -12.453 5.180 1.00 0.00 C ATOM 0 H THR A 84 -7.695 -10.652 6.500 1.00 0.00 H new ATOM 0 HA THR A 84 -5.025 -10.119 6.458 1.00 0.00 H new ATOM 0 HB THR A 84 -6.491 -12.238 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.373 -12.450 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.412 -13.540 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.122 -12.023 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.656 -12.158 5.928 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.305 -9.030 4.365 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.748 -8.506 3.123 1.00 0.00 C ATOM 1253 C GLY A 85 -3.972 -7.003 3.011 1.00 0.00 C ATOM 1254 O GLY A 85 -3.206 -6.299 2.352 1.00 0.00 O ATOM 0 H GLY A 85 -3.793 -8.758 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.680 -8.722 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.209 -9.010 2.273 1.00 0.00 H new ATOM 1258 N ALA A 86 -5.025 -6.516 3.658 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.437 -5.126 3.514 1.00 0.00 C ATOM 1260 C ALA A 86 -4.326 -4.174 3.942 1.00 0.00 C ATOM 1261 O ALA A 86 -3.651 -4.405 4.945 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.699 -4.861 4.322 1.00 0.00 C ATOM 0 H ALA A 86 -5.609 -7.065 4.288 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.648 -4.946 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.994 -3.818 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.501 -5.508 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.507 -5.067 5.375 1.00 0.00 H new ATOM 1268 N MET A 87 -4.142 -3.106 3.175 1.00 0.00 N ATOM 1269 CA MET A 87 -3.183 -2.066 3.528 1.00 0.00 C ATOM 1270 C MET A 87 -3.881 -0.741 3.802 1.00 0.00 C ATOM 1271 O MET A 87 -4.601 -0.219 2.950 1.00 0.00 O ATOM 1272 CB MET A 87 -2.148 -1.903 2.416 1.00 0.00 C ATOM 1273 CG MET A 87 -1.029 -0.923 2.736 1.00 0.00 C ATOM 1274 SD MET A 87 0.158 -0.758 1.388 1.00 0.00 S ATOM 1275 CE MET A 87 1.143 -2.235 1.620 1.00 0.00 C ATOM 0 H MET A 87 -4.645 -2.937 2.304 1.00 0.00 H new ATOM 0 HA MET A 87 -2.675 -2.371 4.443 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.710 -2.877 2.199 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.656 -1.572 1.510 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.459 0.054 2.957 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.508 -1.253 3.635 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.067 -2.150 1.048 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.381 -2.351 2.677 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.582 -3.104 1.276 1.00 0.00 H new ATOM 1285 N SER A 88 -3.666 -0.199 4.995 1.00 0.00 N ATOM 1286 CA SER A 88 -4.463 0.920 5.484 1.00 0.00 C ATOM 1287 C SER A 88 -3.592 1.943 6.203 1.00 0.00 C ATOM 1288 O SER A 88 -2.625 1.586 6.876 1.00 0.00 O ATOM 1289 CB SER A 88 -5.547 0.421 6.418 1.00 0.00 C ATOM 1290 OG SER A 88 -6.317 1.485 6.909 1.00 0.00 O ATOM 0 H SER A 88 -2.945 -0.517 5.643 1.00 0.00 H new ATOM 0 HA SER A 88 -4.923 1.406 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.189 -0.285 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.095 -0.119 7.250 1.00 0.00 H new ATOM 0 HG SER A 88 -7.152 1.138 7.286 1.00 0.00 H new ATOM 1296 N MET A 89 -3.940 3.217 6.057 1.00 0.00 N ATOM 1297 CA MET A 89 -3.191 4.294 6.691 1.00 0.00 C ATOM 1298 C MET A 89 -3.487 4.367 8.184 1.00 0.00 C ATOM 1299 O MET A 89 -4.545 3.931 8.638 1.00 0.00 O ATOM 1300 CB MET A 89 -3.511 5.628 6.019 1.00 0.00 C ATOM 1301 CG MET A 89 -3.159 5.688 4.539 1.00 0.00 C ATOM 1302 SD MET A 89 -1.412 5.366 4.227 1.00 0.00 S ATOM 1303 CE MET A 89 -0.662 6.805 4.983 1.00 0.00 C ATOM 0 H MET A 89 -4.738 3.529 5.504 1.00 0.00 H new ATOM 0 HA MET A 89 -2.128 4.083 6.570 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.575 5.833 6.135 1.00 0.00 H new ATOM 0 HB3 MET A 89 -2.975 6.421 6.540 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.761 4.959 3.996 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.419 6.671 4.147 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.177 7.408 4.215 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.431 7.398 5.478 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.079 6.486 5.716 1.00 0.00 H new ATOM 1313 N ALA A 90 -2.547 4.921 8.942 1.00 0.00 N ATOM 1314 CA ALA A 90 -2.722 5.084 10.381 1.00 0.00 C ATOM 1315 C ALA A 90 -3.370 6.423 10.708 1.00 0.00 C ATOM 1316 O ALA A 90 -2.756 7.478 10.545 1.00 0.00 O ATOM 1317 CB ALA A 90 -1.383 4.957 11.094 1.00 0.00 C ATOM 0 H ALA A 90 -1.656 5.265 8.584 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.386 4.293 10.732 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.529 5.081 12.167 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.958 3.973 10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.702 5.726 10.729 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.615 6.375 11.170 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.353 7.585 11.512 1.00 0.00 C ATOM 1325 C HIS A 91 -5.400 7.794 13.020 1.00 0.00 C ATOM 1326 O HIS A 91 -5.519 6.837 13.785 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.779 7.524 10.954 1.00 0.00 C ATOM 1328 CG HIS A 91 -6.850 7.678 9.466 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -7.177 8.870 8.856 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -6.636 6.790 8.467 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -7.161 8.709 7.544 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -6.836 7.456 7.283 1.00 0.00 N ATOM 0 H HIS A 91 -5.135 5.510 11.316 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.829 8.428 11.062 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.229 6.571 11.234 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.376 8.308 11.420 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -7.397 9.740 9.341 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.360 5.752 8.580 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.377 9.472 6.811 1.00 0.00 H new ATOM 1339 N ARG A 92 -5.308 9.051 13.441 1.00 0.00 N ATOM 1340 CA ARG A 92 -5.416 9.396 14.853 1.00 0.00 C ATOM 1341 C ARG A 92 -6.351 10.581 15.061 1.00 0.00 C ATOM 1342 O ARG A 92 -6.004 11.546 15.741 1.00 0.00 O ATOM 1343 CB ARG A 92 -4.047 9.726 15.430 1.00 0.00 C ATOM 1344 CG ARG A 92 -3.030 8.600 15.346 1.00 0.00 C ATOM 1345 CD ARG A 92 -3.370 7.482 16.263 1.00 0.00 C ATOM 1346 NE ARG A 92 -2.335 6.459 16.278 1.00 0.00 N ATOM 1347 CZ ARG A 92 -2.317 5.380 15.472 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -3.279 5.197 14.595 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -1.330 4.505 15.563 1.00 0.00 N ATOM 0 H ARG A 92 -5.159 9.849 12.823 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.828 8.530 15.371 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.649 10.596 14.908 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.168 10.010 16.475 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.982 8.229 14.322 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.040 8.985 15.593 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.512 7.870 17.272 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.317 7.036 15.957 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.571 6.567 16.945 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.040 5.872 14.524 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.264 4.380 13.985 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.583 4.647 16.243 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.315 3.688 14.953 1.00 0.00 H new ATOM 1363 N GLY A 93 -7.539 10.501 14.470 1.00 0.00 N ATOM 1364 CA GLY A 93 -8.502 11.593 14.538 1.00 0.00 C ATOM 1365 C GLY A 93 -9.245 11.755 13.218 1.00 0.00 C ATOM 1366 O GLY A 93 -8.905 11.118 12.221 1.00 0.00 O ATOM 0 H GLY A 93 -7.857 9.691 13.939 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.216 11.402 15.339 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.987 12.521 14.785 1.00 0.00 H new ATOM 1370 N ARG A 94 -10.261 12.612 13.217 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.078 12.829 12.030 1.00 0.00 C ATOM 1372 C ARG A 94 -10.235 13.324 10.862 1.00 0.00 C ATOM 1373 O ARG A 94 -9.606 14.380 10.942 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.182 13.836 12.318 1.00 0.00 C ATOM 1375 CG ARG A 94 -13.182 14.030 11.188 1.00 0.00 C ATOM 1376 CD ARG A 94 -14.240 15.005 11.553 1.00 0.00 C ATOM 1377 NE ARG A 94 -15.042 14.542 12.674 1.00 0.00 N ATOM 1378 CZ ARG A 94 -16.073 13.681 12.574 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -16.415 13.199 11.399 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -16.741 13.320 13.656 1.00 0.00 N ATOM 0 H ARG A 94 -10.538 13.168 14.026 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.522 11.871 11.759 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.721 13.517 13.210 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.725 14.798 12.549 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.660 14.376 10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.640 13.073 10.939 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.781 15.961 11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.886 15.179 10.692 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.807 14.894 13.602 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.900 13.477 10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.196 12.547 11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.476 13.694 14.567 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.522 12.668 13.580 1.00 0.00 H new ATOM 1394 N ASP A 95 -10.225 12.557 9.778 1.00 0.00 N ATOM 1395 CA ASP A 95 -9.461 12.918 8.590 1.00 0.00 C ATOM 1396 C ASP A 95 -8.012 13.231 8.941 1.00 0.00 C ATOM 1397 O ASP A 95 -7.368 14.052 8.288 1.00 0.00 O ATOM 1398 CB ASP A 95 -10.095 14.122 7.891 1.00 0.00 C ATOM 1399 CG ASP A 95 -11.491 13.831 7.358 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -11.653 12.848 6.674 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -12.384 14.595 7.641 1.00 0.00 O ATOM 0 H ASP A 95 -10.739 11.679 9.697 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.476 12.063 7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -10.145 14.957 8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -9.455 14.435 7.066 1.00 0.00 H new ATOM 1406 N THR A 96 -7.504 12.572 9.978 1.00 0.00 N ATOM 1407 CA THR A 96 -6.147 12.819 10.452 1.00 0.00 C ATOM 1408 C THR A 96 -5.276 11.579 10.295 1.00 0.00 C ATOM 1409 O THR A 96 -4.836 10.989 11.282 1.00 0.00 O ATOM 1410 CB THR A 96 -6.147 13.268 11.924 1.00 0.00 C ATOM 1411 OG1 THR A 96 -6.964 14.437 12.069 1.00 0.00 O ATOM 1412 CG2 THR A 96 -4.732 13.583 12.386 1.00 0.00 C ATOM 0 H THR A 96 -8.012 11.863 10.506 1.00 0.00 H new ATOM 0 HA THR A 96 -5.732 13.620 9.840 1.00 0.00 H new ATOM 0 HB THR A 96 -6.546 12.458 12.535 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.849 14.268 11.683 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.752 13.899 13.429 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.111 12.693 12.288 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.319 14.383 11.772 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.030 11.188 9.049 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.096 10.108 8.755 1.00 0.00 C ATOM 1422 C GLY A 97 -2.691 10.645 8.514 1.00 0.00 C ATOM 1423 O GLY A 97 -2.504 11.609 7.771 1.00 0.00 O ATOM 0 H GLY A 97 -5.465 11.604 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.081 9.401 9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.435 9.560 7.876 1.00 0.00 H new ATOM 1427 N SER A 98 -1.706 10.016 9.146 1.00 0.00 N ATOM 1428 CA SER A 98 -0.315 10.426 8.995 1.00 0.00 C ATOM 1429 C SER A 98 0.329 9.754 7.789 1.00 0.00 C ATOM 1430 O SER A 98 -0.350 9.113 6.987 1.00 0.00 O ATOM 1431 CB SER A 98 0.468 10.088 10.250 1.00 0.00 C ATOM 1432 OG SER A 98 0.648 8.704 10.372 1.00 0.00 O ATOM 0 H SER A 98 -1.845 9.220 9.768 1.00 0.00 H new ATOM 0 HA SER A 98 -0.298 11.504 8.836 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.438 10.583 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.059 10.468 11.125 1.00 0.00 H new ATOM 0 HG SER A 98 0.109 8.369 11.118 1.00 0.00 H new ATOM 1438 N CYS A 99 1.643 9.906 7.665 1.00 0.00 N ATOM 1439 CA CYS A 99 2.400 9.211 6.631 1.00 0.00 C ATOM 1440 C CYS A 99 2.591 7.741 6.982 1.00 0.00 C ATOM 1441 O CYS A 99 3.053 6.950 6.159 1.00 0.00 O ATOM 1442 CB CYS A 99 3.769 9.864 6.436 1.00 0.00 C ATOM 1443 SG CYS A 99 4.843 9.778 7.889 1.00 0.00 S ATOM 0 H CYS A 99 2.206 10.505 8.269 1.00 0.00 H new ATOM 0 HA CYS A 99 1.829 9.281 5.705 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.272 9.384 5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.625 10.910 6.165 1.00 0.00 H new ATOM 0 HG CYS A 99 4.809 10.913 8.522 1.00 0.00 H new ATOM 1449 N GLN A 100 2.231 7.379 8.209 1.00 0.00 N ATOM 1450 CA GLN A 100 2.369 6.005 8.675 1.00 0.00 C ATOM 1451 C GLN A 100 1.227 5.134 8.168 1.00 0.00 C ATOM 1452 O GLN A 100 0.113 5.615 7.960 1.00 0.00 O ATOM 1453 CB GLN A 100 2.424 5.959 10.204 1.00 0.00 C ATOM 1454 CG GLN A 100 3.457 6.889 10.817 1.00 0.00 C ATOM 1455 CD GLN A 100 3.367 6.936 12.331 1.00 0.00 C ATOM 1456 OE1 GLN A 100 4.060 6.194 13.032 1.00 0.00 O ATOM 1457 NE2 GLN A 100 2.508 7.811 12.844 1.00 0.00 N ATOM 0 H GLN A 100 1.841 8.020 8.900 1.00 0.00 H new ATOM 0 HA GLN A 100 3.303 5.611 8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.441 6.214 10.600 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.639 4.938 10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.455 6.562 10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.321 7.893 10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.955 8.405 12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.402 7.888 13.855 1.00 0.00 H new ATOM 1466 N PHE A 101 1.508 3.850 7.974 1.00 0.00 N ATOM 1467 CA PHE A 101 0.487 2.895 7.563 1.00 0.00 C ATOM 1468 C PHE A 101 0.791 1.500 8.091 1.00 0.00 C ATOM 1469 O PHE A 101 1.856 1.261 8.663 1.00 0.00 O ATOM 1470 CB PHE A 101 0.377 2.854 6.037 1.00 0.00 C ATOM 1471 CG PHE A 101 1.620 2.363 5.353 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.653 3.237 5.049 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.760 1.026 5.012 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.797 2.787 4.418 1.00 0.00 C ATOM 1475 CE2 PHE A 101 2.904 0.574 4.382 1.00 0.00 C ATOM 1476 CZ PHE A 101 3.923 1.454 4.085 1.00 0.00 C ATOM 0 H PHE A 101 2.437 3.446 8.095 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.462 3.225 7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.458 2.210 5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.143 3.854 5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.562 4.281 5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.966 0.330 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.593 3.479 4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.000 -0.470 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.817 1.101 3.593 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.148 0.581 7.899 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.023 -0.768 8.438 1.00 0.00 C ATOM 1488 C PHE A 102 -0.700 -1.788 7.531 1.00 0.00 C ATOM 1489 O PHE A 102 -1.669 -1.472 6.840 1.00 0.00 O ATOM 1490 CB PHE A 102 -0.630 -0.842 9.840 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.099 -0.533 9.882 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.543 0.770 10.051 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -3.039 -1.543 9.751 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -3.894 1.056 10.091 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -4.391 -1.260 9.790 1.00 0.00 C ATOM 1496 CZ PHE A 102 -4.819 0.040 9.960 1.00 0.00 C ATOM 0 H PHE A 102 -1.006 0.746 7.373 1.00 0.00 H new ATOM 0 HA PHE A 102 1.039 -1.006 8.493 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.467 -1.841 10.244 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.103 -0.145 10.491 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.825 1.570 10.152 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.711 -2.563 9.617 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.226 2.075 10.225 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.113 -2.057 9.687 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.875 0.262 9.991 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.185 -3.013 7.539 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.819 -4.116 6.826 1.00 0.00 C ATOM 1508 C ILE A 103 -1.499 -5.077 7.792 1.00 0.00 C ATOM 1509 O ILE A 103 -0.916 -5.476 8.800 1.00 0.00 O ATOM 1510 CB ILE A 103 0.208 -4.883 5.974 1.00 0.00 C ATOM 1511 CG1 ILE A 103 0.910 -3.933 5.000 1.00 0.00 C ATOM 1512 CG2 ILE A 103 -0.467 -6.019 5.222 1.00 0.00 C ATOM 1513 CD1 ILE A 103 2.159 -4.511 4.377 1.00 0.00 C ATOM 0 H ILE A 103 0.671 -3.267 8.032 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.575 -3.686 6.169 1.00 0.00 H new ATOM 0 HB ILE A 103 0.959 -5.311 6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.213 -3.660 4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.170 -3.015 5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.274 -6.551 4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.921 -6.708 5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.238 -5.614 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.600 -3.780 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.876 -4.758 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.904 -5.413 3.821 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.736 -5.447 7.478 1.00 0.00 N ATOM 1526 CA VAL A 104 -3.519 -6.320 8.346 1.00 0.00 C ATOM 1527 C VAL A 104 -3.223 -7.786 8.062 1.00 0.00 C ATOM 1528 O VAL A 104 -3.251 -8.224 6.912 1.00 0.00 O ATOM 1529 CB VAL A 104 -5.024 -6.055 8.154 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.845 -6.993 9.026 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -5.340 -4.603 8.474 1.00 0.00 C ATOM 0 H VAL A 104 -3.219 -5.156 6.628 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.239 -6.101 9.376 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.287 -6.246 7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.906 -6.792 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.630 -8.026 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.588 -6.834 10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.406 -4.424 8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.067 -4.391 9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.773 -3.952 7.808 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.940 -8.542 9.117 1.00 0.00 N ATOM 1542 CA HIS A 105 -2.592 -9.952 8.980 1.00 0.00 C ATOM 1543 C HIS A 105 -3.823 -10.838 9.126 1.00 0.00 C ATOM 1544 O HIS A 105 -3.912 -11.901 8.508 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.540 -10.355 10.017 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.271 -9.566 9.924 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.756 -9.699 10.835 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.136 -8.633 9.032 1.00 0.00 C ATOM 1549 CE1 HIS A 105 1.741 -8.883 10.505 1.00 0.00 C ATOM 1550 NE2 HIS A 105 1.390 -8.226 9.415 1.00 0.00 N ATOM 0 H HIS A 105 -2.945 -8.201 10.078 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.178 -10.092 7.981 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.961 -10.233 11.015 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.309 -11.413 9.895 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.421 -8.276 8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 105 2.675 -8.772 11.036 1.00 0.00 H new ATOM 0 HE2 HIS A 105 1.959 -7.529 8.935 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.770 -10.397 9.945 1.00 0.00 N ATOM 1558 CA GLU A 106 -5.996 -11.151 10.176 1.00 0.00 C ATOM 1559 C GLU A 106 -7.206 -10.227 10.251 1.00 0.00 C ATOM 1560 O GLU A 106 -7.085 -9.061 10.629 1.00 0.00 O ATOM 1561 CB GLU A 106 -5.886 -11.969 11.464 1.00 0.00 C ATOM 1562 CG GLU A 106 -4.808 -13.043 11.437 1.00 0.00 C ATOM 1563 CD GLU A 106 -4.759 -13.856 12.701 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.524 -13.578 13.593 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -3.956 -14.756 12.773 1.00 0.00 O ATOM 0 H GLU A 106 -4.712 -9.519 10.461 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.133 -11.828 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.686 -11.292 12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.848 -12.442 11.663 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.985 -13.707 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.838 -12.573 11.276 1.00 0.00 H new ATOM 1572 N PRO A 107 -8.371 -10.754 9.891 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.615 -10.002 9.988 1.00 0.00 C ATOM 1574 C PRO A 107 -9.766 -9.362 11.363 1.00 0.00 C ATOM 1575 O PRO A 107 -9.844 -10.056 12.376 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.685 -11.070 9.742 1.00 0.00 C ATOM 1577 CG PRO A 107 -10.018 -12.056 8.845 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.601 -12.124 9.350 1.00 0.00 C ATOM 0 HA PRO A 107 -9.674 -9.173 9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.007 -11.534 10.675 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.573 -10.644 9.275 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.504 -13.030 8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.054 -11.734 7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.483 -12.887 10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.899 -12.366 8.552 1.00 0.00 H new ATOM 1586 N GLN A 108 -9.807 -8.034 11.390 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.987 -7.299 12.637 1.00 0.00 C ATOM 1588 C GLN A 108 -11.226 -6.415 12.581 1.00 0.00 C ATOM 1589 O GLN A 108 -11.205 -5.338 11.983 1.00 0.00 O ATOM 1590 CB GLN A 108 -8.751 -6.448 12.940 1.00 0.00 C ATOM 1591 CG GLN A 108 -7.533 -7.250 13.369 1.00 0.00 C ATOM 1592 CD GLN A 108 -7.767 -8.012 14.659 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -8.376 -7.494 15.600 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -7.281 -9.246 14.713 1.00 0.00 N ATOM 0 H GLN A 108 -9.718 -7.444 10.562 1.00 0.00 H new ATOM 0 HA GLN A 108 -10.122 -8.028 13.436 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.496 -5.868 12.053 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.998 -5.735 13.727 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.267 -7.952 12.579 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.685 -6.577 13.496 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.784 -9.634 13.911 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.404 -9.806 15.556 1.00 0.00 H new ATOM 1603 N PRO A 109 -12.304 -6.875 13.206 1.00 0.00 N ATOM 1604 CA PRO A 109 -13.526 -6.087 13.305 1.00 0.00 C ATOM 1605 C PRO A 109 -13.264 -4.745 13.975 1.00 0.00 C ATOM 1606 O PRO A 109 -13.992 -3.776 13.754 1.00 0.00 O ATOM 1607 CB PRO A 109 -14.440 -6.974 14.157 1.00 0.00 C ATOM 1608 CG PRO A 109 -13.918 -8.353 13.937 1.00 0.00 C ATOM 1609 CD PRO A 109 -12.425 -8.180 13.856 1.00 0.00 C ATOM 0 HA PRO A 109 -13.958 -5.838 12.336 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -14.397 -6.695 15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -15.481 -6.888 13.846 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -14.197 -9.018 14.754 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -14.318 -8.788 13.021 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.959 -8.190 14.841 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.954 -8.971 13.273 1.00 0.00 H new ATOM 1617 N HIS A 110 -12.221 -4.693 14.797 1.00 0.00 N ATOM 1618 CA HIS A 110 -11.906 -3.491 15.560 1.00 0.00 C ATOM 1619 C HIS A 110 -11.131 -2.488 14.715 1.00 0.00 C ATOM 1620 O HIS A 110 -10.862 -1.371 15.153 1.00 0.00 O ATOM 1621 CB HIS A 110 -11.099 -3.843 16.815 1.00 0.00 C ATOM 1622 CG HIS A 110 -11.845 -4.702 17.788 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -12.891 -4.226 18.550 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -11.695 -6.005 18.124 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -13.354 -5.201 19.313 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -12.645 -6.290 19.074 1.00 0.00 N ATOM 0 H HIS A 110 -11.579 -5.470 14.952 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.850 -3.035 15.859 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.185 -4.357 16.517 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.798 -2.921 17.313 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -10.965 -6.691 17.721 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.173 -5.121 20.013 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -12.781 -7.196 19.523 1.00 0.00 H new ATOM 1633 N LEU A 111 -10.773 -2.896 13.502 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.139 -1.996 12.547 1.00 0.00 C ATOM 1635 C LEU A 111 -11.030 -1.762 11.334 1.00 0.00 C ATOM 1636 O LEU A 111 -10.903 -0.750 10.645 1.00 0.00 O ATOM 1637 CB LEU A 111 -8.789 -2.568 12.095 1.00 0.00 C ATOM 1638 CG LEU A 111 -7.752 -2.783 13.206 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.512 -3.446 12.621 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.409 -1.447 13.846 1.00 0.00 C ATOM 0 H LEU A 111 -10.912 -3.846 13.157 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.979 -1.040 13.045 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.967 -3.523 11.600 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.362 -1.897 11.350 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.160 -3.437 13.976 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.775 -3.599 13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.784 -4.408 12.187 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.088 -2.806 11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.673 -1.600 14.635 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.998 -0.777 13.091 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.310 -1.005 14.271 1.00 0.00 H new ATOM 1652 N ASP A 112 -11.931 -2.705 11.078 1.00 0.00 N ATOM 1653 CA ASP A 112 -12.841 -2.605 9.944 1.00 0.00 C ATOM 1654 C ASP A 112 -13.637 -1.307 9.987 1.00 0.00 C ATOM 1655 O ASP A 112 -14.471 -1.109 10.870 1.00 0.00 O ATOM 1656 CB ASP A 112 -13.800 -3.799 9.920 1.00 0.00 C ATOM 1657 CG ASP A 112 -14.695 -3.815 8.688 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -14.674 -2.859 7.950 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -15.391 -4.783 8.496 1.00 0.00 O ATOM 0 H ASP A 112 -12.050 -3.547 11.641 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.239 -2.610 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -13.223 -4.723 9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.422 -3.777 10.815 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.374 -0.425 9.030 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.144 0.804 8.887 1.00 0.00 C ATOM 1666 C GLY A 113 -13.600 1.903 9.791 1.00 0.00 C ATOM 1667 O GLY A 113 -14.177 2.986 9.884 1.00 0.00 O ATOM 0 H GLY A 113 -12.631 -0.539 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.115 1.136 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.189 0.612 9.131 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.487 1.616 10.458 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.896 2.556 11.403 1.00 0.00 C ATOM 1673 C VAL A 114 -10.860 3.443 10.723 1.00 0.00 C ATOM 1674 O VAL A 114 -10.840 4.657 10.927 1.00 0.00 O ATOM 1675 CB VAL A 114 -11.232 1.797 12.568 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -10.512 2.766 13.493 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -12.280 1.001 13.330 1.00 0.00 C ATOM 0 H VAL A 114 -11.976 0.739 10.361 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.697 3.187 11.787 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.493 1.104 12.165 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -10.049 2.213 14.310 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -9.743 3.299 12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -11.227 3.481 13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.804 0.467 14.152 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -13.035 1.680 13.727 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.753 0.285 12.658 1.00 0.00 H new ATOM 1687 N HIS A 115 -10.002 2.830 9.916 1.00 0.00 N ATOM 1688 CA HIS A 115 -8.984 3.567 9.177 1.00 0.00 C ATOM 1689 C HIS A 115 -9.301 3.601 7.687 1.00 0.00 C ATOM 1690 O HIS A 115 -10.385 3.198 7.264 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.600 2.948 9.397 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.168 2.933 10.830 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.470 3.973 11.407 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -7.334 2.006 11.803 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.227 3.686 12.674 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.740 2.499 12.938 1.00 0.00 N ATOM 0 H HIS A 115 -9.991 1.823 9.757 1.00 0.00 H new ATOM 0 HA HIS A 115 -8.981 4.590 9.554 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.604 1.926 9.017 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.867 3.502 8.811 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.839 1.057 11.704 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.698 4.316 13.374 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -6.701 2.024 13.840 1.00 0.00 H new ATOM 1703 N THR A 116 -8.349 4.083 6.896 1.00 0.00 N ATOM 1704 CA THR A 116 -8.546 4.223 5.458 1.00 0.00 C ATOM 1705 C THR A 116 -7.756 3.171 4.690 1.00 0.00 C ATOM 1706 O THR A 116 -6.526 3.209 4.653 1.00 0.00 O ATOM 1707 CB THR A 116 -8.140 5.628 4.977 1.00 0.00 C ATOM 1708 OG1 THR A 116 -8.975 6.610 5.605 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.286 5.737 3.467 1.00 0.00 C ATOM 0 H THR A 116 -7.432 4.384 7.227 1.00 0.00 H new ATOM 0 HA THR A 116 -9.608 4.077 5.262 1.00 0.00 H new ATOM 0 HB THR A 116 -7.098 5.801 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 116 -8.527 6.957 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 116 -7.995 6.737 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.645 4.999 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.323 5.554 3.188 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.469 2.233 4.077 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.844 1.229 3.225 1.00 0.00 C ATOM 1719 C VAL A 117 -7.660 1.748 1.805 1.00 0.00 C ATOM 1720 O VAL A 117 -8.603 2.245 1.188 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.698 -0.052 3.193 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -8.088 -1.077 2.247 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.825 -0.625 4.597 1.00 0.00 C ATOM 0 H VAL A 117 -9.482 2.147 4.155 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.863 1.004 3.644 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.693 0.197 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.705 -1.976 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.039 -0.660 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.083 -1.331 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.430 -1.531 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.834 -0.863 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.302 0.108 5.248 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.440 1.630 1.290 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.079 2.259 0.026 1.00 0.00 C ATOM 1735 C PHE A 118 -5.365 1.276 -0.893 1.00 0.00 C ATOM 1736 O PHE A 118 -5.223 1.523 -2.091 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.186 3.477 0.270 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.827 3.133 0.811 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.628 2.963 2.172 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.745 2.979 -0.042 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.379 2.648 2.671 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.493 2.663 0.454 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.311 2.498 1.810 1.00 0.00 C ATOM 0 H PHE A 118 -5.685 1.104 1.730 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.001 2.581 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.067 4.022 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.686 4.148 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.460 3.078 2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -2.881 3.107 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.238 2.519 3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.658 2.546 -0.221 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.334 2.252 2.198 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.917 0.161 -0.325 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.208 -0.856 -1.092 1.00 0.00 C ATOM 1755 C GLY A 119 -4.378 -2.234 -0.466 1.00 0.00 C ATOM 1756 O GLY A 119 -5.066 -2.388 0.544 1.00 0.00 O ATOM 0 H GLY A 119 -5.033 -0.061 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.582 -0.870 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.149 -0.605 -1.143 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.749 -3.236 -1.071 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.829 -4.604 -0.573 1.00 0.00 C ATOM 1762 C GLN A 120 -2.669 -5.446 -1.090 1.00 0.00 C ATOM 1763 O GLN A 120 -2.412 -5.495 -2.292 1.00 0.00 O ATOM 1764 CB GLN A 120 -5.160 -5.244 -0.976 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.345 -6.665 -0.472 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.724 -7.215 -0.785 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.564 -6.526 -1.371 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.964 -8.461 -0.395 1.00 0.00 N ATOM 0 H GLN A 120 -3.177 -3.126 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.768 -4.567 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.976 -4.627 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.236 -5.243 -2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.589 -7.309 -0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.183 -6.689 0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -6.239 -8.993 0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.873 -8.886 -0.577 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.973 -6.109 -0.173 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.824 -6.933 -0.533 1.00 0.00 C ATOM 1779 C VAL A 121 -1.239 -8.105 -1.413 1.00 0.00 C ATOM 1780 O VAL A 121 -2.203 -8.809 -1.110 1.00 0.00 O ATOM 1781 CB VAL A 121 -0.133 -7.468 0.736 1.00 0.00 C ATOM 1782 CG1 VAL A 121 0.989 -8.427 0.367 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.398 -6.309 1.564 1.00 0.00 C ATOM 0 H VAL A 121 -2.184 -6.092 0.825 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.130 -6.306 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.863 -8.016 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.466 -8.795 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.580 -9.267 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.726 -7.907 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.885 -6.695 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.118 -5.741 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.428 -5.659 1.852 1.00 0.00 H new ATOM 1793 N THR A 122 -0.508 -8.307 -2.503 1.00 0.00 N ATOM 1794 CA THR A 122 -0.827 -9.365 -3.454 1.00 0.00 C ATOM 1795 C THR A 122 0.272 -10.419 -3.494 1.00 0.00 C ATOM 1796 O THR A 122 0.035 -11.562 -3.886 1.00 0.00 O ATOM 1797 CB THR A 122 -1.047 -8.793 -4.867 1.00 0.00 C ATOM 1798 OG1 THR A 122 0.158 -8.167 -5.325 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.174 -7.771 -4.860 1.00 0.00 C ATOM 0 H THR A 122 0.311 -7.751 -2.750 1.00 0.00 H new ATOM 0 HA THR A 122 -1.751 -9.834 -3.116 1.00 0.00 H new ATOM 0 HB THR A 122 -1.317 -9.611 -5.535 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.017 -7.805 -6.225 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.315 -7.378 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.095 -8.247 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.921 -6.955 -4.184 1.00 0.00 H new ATOM 1807 N SER A 123 1.475 -10.028 -3.088 1.00 0.00 N ATOM 1808 CA SER A 123 2.606 -10.947 -3.047 1.00 0.00 C ATOM 1809 C SER A 123 3.663 -10.475 -2.056 1.00 0.00 C ATOM 1810 O SER A 123 3.946 -9.281 -1.958 1.00 0.00 O ATOM 1811 CB SER A 123 3.218 -11.085 -4.427 1.00 0.00 C ATOM 1812 OG SER A 123 4.331 -11.937 -4.400 1.00 0.00 O ATOM 0 H SER A 123 1.692 -9.079 -2.782 1.00 0.00 H new ATOM 0 HA SER A 123 2.238 -11.919 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.474 -11.475 -5.121 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.516 -10.104 -4.797 1.00 0.00 H new ATOM 0 HG SER A 123 4.708 -12.012 -5.302 1.00 0.00 H new ATOM 1818 N GLY A 124 4.244 -11.419 -1.324 1.00 0.00 N ATOM 1819 CA GLY A 124 5.205 -11.094 -0.278 1.00 0.00 C ATOM 1820 C GLY A 124 4.520 -10.958 1.076 1.00 0.00 C ATOM 1821 O GLY A 124 5.111 -10.457 2.034 1.00 0.00 O ATOM 0 H GLY A 124 4.065 -12.417 -1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.967 -11.871 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.715 -10.163 -0.526 1.00 0.00 H new ATOM 1825 N MET A 125 3.272 -11.407 1.150 1.00 0.00 N ATOM 1826 CA MET A 125 2.534 -11.416 2.408 1.00 0.00 C ATOM 1827 C MET A 125 3.266 -12.224 3.471 1.00 0.00 C ATOM 1828 O MET A 125 3.156 -11.941 4.664 1.00 0.00 O ATOM 1829 CB MET A 125 1.128 -11.971 2.190 1.00 0.00 C ATOM 1830 CG MET A 125 0.202 -11.831 3.391 1.00 0.00 C ATOM 1831 SD MET A 125 -0.262 -10.118 3.715 1.00 0.00 S ATOM 1832 CE MET A 125 -0.878 -10.246 5.391 1.00 0.00 C ATOM 0 H MET A 125 2.750 -11.770 0.353 1.00 0.00 H new ATOM 0 HA MET A 125 2.458 -10.388 2.763 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.678 -11.461 1.338 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.204 -13.026 1.926 1.00 0.00 H new ATOM 0 HG2 MET A 125 -0.698 -12.421 3.221 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.692 -12.244 4.273 1.00 0.00 H new ATOM 0 HE1 MET A 125 -1.878 -9.815 5.445 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.918 -11.295 5.685 1.00 0.00 H new ATOM 0 HE3 MET A 125 -0.213 -9.706 6.065 1.00 0.00 H new ATOM 1842 N ASP A 126 4.013 -13.231 3.031 1.00 0.00 N ATOM 1843 CA ASP A 126 4.894 -13.978 3.921 1.00 0.00 C ATOM 1844 C ASP A 126 5.886 -13.053 4.616 1.00 0.00 C ATOM 1845 O ASP A 126 6.058 -13.114 5.833 1.00 0.00 O ATOM 1846 CB ASP A 126 5.651 -15.058 3.146 1.00 0.00 C ATOM 1847 CG ASP A 126 4.758 -16.214 2.716 1.00 0.00 C ATOM 1848 OD1 ASP A 126 3.643 -16.281 3.176 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.199 -17.019 1.930 1.00 0.00 O ATOM 0 H ASP A 126 4.026 -13.549 2.062 1.00 0.00 H new ATOM 0 HA ASP A 126 4.272 -14.453 4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.109 -14.611 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.461 -15.442 3.766 1.00 0.00 H new ATOM 1854 N VAL A 127 6.538 -12.199 3.834 1.00 0.00 N ATOM 1855 CA VAL A 127 7.470 -11.219 4.380 1.00 0.00 C ATOM 1856 C VAL A 127 6.770 -10.270 5.345 1.00 0.00 C ATOM 1857 O VAL A 127 7.329 -9.890 6.373 1.00 0.00 O ATOM 1858 CB VAL A 127 8.117 -10.406 3.244 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.942 -9.261 3.811 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.978 -11.316 2.382 1.00 0.00 C ATOM 0 H VAL A 127 6.438 -12.166 2.819 1.00 0.00 H new ATOM 0 HA VAL A 127 8.241 -11.764 4.925 1.00 0.00 H new ATOM 0 HB VAL A 127 7.330 -9.979 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.392 -8.697 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.298 -8.603 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.728 -9.661 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.433 -10.734 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.761 -11.764 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.359 -12.103 1.953 1.00 0.00 H new ATOM 1870 N VAL A 128 5.542 -9.891 5.005 1.00 0.00 N ATOM 1871 CA VAL A 128 4.734 -9.045 5.877 1.00 0.00 C ATOM 1872 C VAL A 128 4.509 -9.705 7.230 1.00 0.00 C ATOM 1873 O VAL A 128 4.727 -9.092 8.275 1.00 0.00 O ATOM 1874 CB VAL A 128 3.372 -8.750 5.221 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.451 -8.041 6.202 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.572 -7.910 3.967 1.00 0.00 C ATOM 0 H VAL A 128 5.085 -10.156 4.133 1.00 0.00 H new ATOM 0 HA VAL A 128 5.277 -8.112 6.030 1.00 0.00 H new ATOM 0 HB VAL A 128 2.904 -9.693 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.493 -7.840 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.293 -8.674 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.905 -7.100 6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.605 -7.705 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.054 -6.969 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.200 -8.453 3.261 1.00 0.00 H new ATOM 1886 N ARG A 129 4.072 -10.959 7.207 1.00 0.00 N ATOM 1887 CA ARG A 129 3.681 -11.658 8.425 1.00 0.00 C ATOM 1888 C ARG A 129 4.900 -12.079 9.234 1.00 0.00 C ATOM 1889 O ARG A 129 4.810 -12.297 10.443 1.00 0.00 O ATOM 1890 CB ARG A 129 2.847 -12.888 8.093 1.00 0.00 C ATOM 1891 CG ARG A 129 1.475 -12.591 7.508 1.00 0.00 C ATOM 1892 CD ARG A 129 0.695 -13.834 7.282 1.00 0.00 C ATOM 1893 NE ARG A 129 1.286 -14.665 6.245 1.00 0.00 N ATOM 1894 CZ ARG A 129 0.794 -15.853 5.842 1.00 0.00 C ATOM 1895 NH1 ARG A 129 -0.297 -16.334 6.396 1.00 0.00 N ATOM 1896 NH2 ARG A 129 1.406 -16.534 4.889 1.00 0.00 N ATOM 0 H ARG A 129 3.980 -11.513 6.356 1.00 0.00 H new ATOM 0 HA ARG A 129 3.085 -10.967 9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.402 -13.505 7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.719 -13.478 9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.926 -11.934 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.589 -12.056 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.637 -14.400 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -0.326 -13.576 7.002 1.00 0.00 H new ATOM 0 HE ARG A 129 2.133 -14.324 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.771 -15.808 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.670 -17.233 6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 129 2.252 -16.160 4.458 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.033 -17.433 4.585 1.00 0.00 H new ATOM 1910 N THR A 130 6.041 -12.192 8.562 1.00 0.00 N ATOM 1911 CA THR A 130 7.299 -12.495 9.233 1.00 0.00 C ATOM 1912 C THR A 130 8.120 -11.233 9.460 1.00 0.00 C ATOM 1913 O THR A 130 9.296 -11.301 9.817 1.00 0.00 O ATOM 1914 CB THR A 130 8.126 -13.512 8.426 1.00 0.00 C ATOM 1915 OG1 THR A 130 8.420 -12.974 7.130 1.00 0.00 O ATOM 1916 CG2 THR A 130 7.360 -14.816 8.266 1.00 0.00 C ATOM 0 H THR A 130 6.120 -12.078 7.551 1.00 0.00 H new ATOM 0 HA THR A 130 7.052 -12.931 10.201 1.00 0.00 H new ATOM 0 HB THR A 130 9.053 -13.710 8.964 1.00 0.00 H new ATOM 0 HG1 THR A 130 7.703 -13.213 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 130 7.960 -15.523 7.693 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.146 -15.235 9.249 1.00 0.00 H new ATOM 0 HG23 THR A 130 6.424 -14.626 7.741 1.00 0.00 H new ATOM 1924 N MET A 131 7.494 -10.080 9.249 1.00 0.00 N ATOM 1925 CA MET A 131 8.150 -8.798 9.477 1.00 0.00 C ATOM 1926 C MET A 131 8.493 -8.609 10.949 1.00 0.00 C ATOM 1927 O MET A 131 7.756 -9.051 11.830 1.00 0.00 O ATOM 1928 CB MET A 131 7.265 -7.656 8.985 1.00 0.00 C ATOM 1929 CG MET A 131 7.935 -6.289 8.996 1.00 0.00 C ATOM 1930 SD MET A 131 6.848 -4.977 8.403 1.00 0.00 S ATOM 1931 CE MET A 131 6.744 -5.383 6.663 1.00 0.00 C ATOM 0 H MET A 131 6.531 -10.007 8.920 1.00 0.00 H new ATOM 0 HA MET A 131 9.082 -8.790 8.912 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.938 -7.878 7.969 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.370 -7.613 9.606 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.259 -6.056 10.010 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.830 -6.322 8.375 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.881 -4.479 6.070 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.521 -6.104 6.411 1.00 0.00 H new ATOM 0 HE3 MET A 131 5.766 -5.813 6.448 1.00 0.00 H new ATOM 1941 N LYS A 132 9.616 -7.948 11.211 1.00 0.00 N ATOM 1942 CA LYS A 132 10.053 -7.690 12.578 1.00 0.00 C ATOM 1943 C LYS A 132 9.881 -6.221 12.943 1.00 0.00 C ATOM 1944 O LYS A 132 9.960 -5.344 12.084 1.00 0.00 O ATOM 1945 CB LYS A 132 11.512 -8.111 12.762 1.00 0.00 C ATOM 1946 CG LYS A 132 11.760 -9.605 12.609 1.00 0.00 C ATOM 1947 CD LYS A 132 13.232 -9.942 12.792 1.00 0.00 C ATOM 1948 CE LYS A 132 13.482 -11.435 12.634 1.00 0.00 C ATOM 1949 NZ LYS A 132 14.919 -11.780 12.816 1.00 0.00 N ATOM 0 H LYS A 132 10.241 -7.581 10.493 1.00 0.00 H new ATOM 0 HA LYS A 132 9.427 -8.282 13.246 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.126 -7.577 12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 132 11.845 -7.799 13.752 1.00 0.00 H new ATOM 0 HG2 LYS A 132 11.166 -10.151 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.430 -9.932 11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.826 -9.392 12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.561 -9.619 13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 132 12.882 -11.982 13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 132 13.154 -11.755 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.047 -12.806 12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.489 -11.278 12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 15.226 -11.498 13.769 1.00 0.00 H new ATOM 1963 N ASN A 133 9.644 -5.960 14.224 1.00 0.00 N ATOM 1964 CA ASN A 133 9.473 -4.595 14.709 1.00 0.00 C ATOM 1965 C ASN A 133 10.792 -3.836 14.694 1.00 0.00 C ATOM 1966 O ASN A 133 11.710 -4.151 15.451 1.00 0.00 O ATOM 1967 CB ASN A 133 8.871 -4.595 16.102 1.00 0.00 C ATOM 1968 CG ASN A 133 8.556 -3.210 16.594 1.00 0.00 C ATOM 1969 OD1 ASN A 133 9.189 -2.231 16.183 1.00 0.00 O ATOM 1970 ND2 ASN A 133 7.586 -3.108 17.468 1.00 0.00 N ATOM 0 H ASN A 133 9.566 -6.676 14.946 1.00 0.00 H new ATOM 0 HA ASN A 133 8.786 -4.083 14.035 1.00 0.00 H new ATOM 0 HB2 ASN A 133 7.959 -5.192 16.100 1.00 0.00 H new ATOM 0 HB3 ASN A 133 9.564 -5.074 16.794 1.00 0.00 H new ATOM 0 HD21 ASN A 133 7.326 -2.193 17.837 1.00 0.00 H new ATOM 0 HD22 ASN A 133 7.090 -3.943 17.779 1.00 0.00 H new ATOM 1977 N GLY A 134 10.883 -2.833 13.827 1.00 0.00 N ATOM 1978 CA GLY A 134 12.092 -2.028 13.709 1.00 0.00 C ATOM 1979 C GLY A 134 12.710 -2.161 12.323 1.00 0.00 C ATOM 1980 O GLY A 134 13.722 -1.528 12.020 1.00 0.00 O ATOM 0 H GLY A 134 10.131 -2.558 13.194 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.856 -0.982 13.906 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.814 -2.339 14.463 1.00 0.00 H new ATOM 1984 N ASP A 135 12.097 -2.988 11.484 1.00 0.00 N ATOM 1985 CA ASP A 135 12.527 -3.135 10.099 1.00 0.00 C ATOM 1986 C ASP A 135 12.469 -1.803 9.361 1.00 0.00 C ATOM 1987 O ASP A 135 11.691 -0.918 9.717 1.00 0.00 O ATOM 1988 CB ASP A 135 11.659 -4.165 9.372 1.00 0.00 C ATOM 1989 CG ASP A 135 11.998 -5.599 9.755 1.00 0.00 C ATOM 1990 OD1 ASP A 135 12.983 -5.799 10.425 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.267 -6.483 9.373 1.00 0.00 O ATOM 0 H ASP A 135 11.298 -3.568 11.740 1.00 0.00 H new ATOM 0 HA ASP A 135 13.560 -3.482 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 135 10.610 -3.972 9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 135 11.782 -4.042 8.296 1.00 0.00 H new ATOM 1996 N VAL A 136 13.299 -1.666 8.332 1.00 0.00 N ATOM 1997 CA VAL A 136 13.379 -0.424 7.574 1.00 0.00 C ATOM 1998 C VAL A 136 13.030 -0.649 6.107 1.00 0.00 C ATOM 1999 O VAL A 136 13.571 -1.547 5.462 1.00 0.00 O ATOM 2000 CB VAL A 136 14.796 0.173 7.674 1.00 0.00 C ATOM 2001 CG1 VAL A 136 14.899 1.442 6.841 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.138 0.452 9.129 1.00 0.00 C ATOM 0 H VAL A 136 13.926 -2.401 8.004 1.00 0.00 H new ATOM 0 HA VAL A 136 12.657 0.271 8.002 1.00 0.00 H new ATOM 0 HB VAL A 136 15.513 -0.547 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.906 1.850 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 136 14.685 1.211 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.179 2.175 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.141 0.874 9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 136 14.420 1.160 9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.099 -0.478 9.697 1.00 0.00 H new ATOM 2012 N MET A 137 12.122 0.171 5.588 1.00 0.00 N ATOM 2013 CA MET A 137 11.745 0.103 4.182 1.00 0.00 C ATOM 2014 C MET A 137 12.725 0.878 3.310 1.00 0.00 C ATOM 2015 O MET A 137 12.650 2.103 3.213 1.00 0.00 O ATOM 2016 CB MET A 137 10.326 0.635 3.990 1.00 0.00 C ATOM 2017 CG MET A 137 9.250 -0.165 4.712 1.00 0.00 C ATOM 2018 SD MET A 137 7.581 0.357 4.272 1.00 0.00 S ATOM 2019 CE MET A 137 7.498 1.949 5.088 1.00 0.00 C ATOM 0 H MET A 137 11.634 0.891 6.121 1.00 0.00 H new ATOM 0 HA MET A 137 11.776 -0.942 3.873 1.00 0.00 H new ATOM 0 HB2 MET A 137 10.288 1.667 4.337 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.097 0.649 2.924 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.370 -1.222 4.476 1.00 0.00 H new ATOM 0 HG3 MET A 137 9.387 -0.061 5.788 1.00 0.00 H new ATOM 0 HE1 MET A 137 6.461 2.180 5.331 1.00 0.00 H new ATOM 0 HE2 MET A 137 8.087 1.919 6.005 1.00 0.00 H new ATOM 0 HE3 MET A 137 7.896 2.718 4.426 1.00 0.00 H new ATOM 2029 N LYS A 138 13.645 0.157 2.678 1.00 0.00 N ATOM 2030 CA LYS A 138 14.697 0.782 1.886 1.00 0.00 C ATOM 2031 C LYS A 138 14.125 1.821 0.931 1.00 0.00 C ATOM 2032 O LYS A 138 14.645 2.931 0.822 1.00 0.00 O ATOM 2033 CB LYS A 138 15.481 -0.275 1.106 1.00 0.00 C ATOM 2034 CG LYS A 138 16.646 0.275 0.295 1.00 0.00 C ATOM 2035 CD LYS A 138 17.487 -0.846 -0.296 1.00 0.00 C ATOM 2036 CE LYS A 138 18.648 -0.297 -1.113 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.504 -1.382 -1.662 1.00 0.00 N ATOM 0 H LYS A 138 13.683 -0.862 2.699 1.00 0.00 H new ATOM 0 HA LYS A 138 15.374 1.289 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 138 15.861 -1.018 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 138 14.798 -0.792 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.267 0.909 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.269 0.904 0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.871 -1.477 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.862 -1.478 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.261 0.309 -1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.252 0.361 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.283 -0.966 -2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.895 -1.945 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.934 -1.995 -2.279 1.00 0.00 H new ATOM 2051 N GLU A 139 13.051 1.454 0.240 1.00 0.00 N ATOM 2052 CA GLU A 139 12.390 2.362 -0.689 1.00 0.00 C ATOM 2053 C GLU A 139 11.040 1.813 -1.131 1.00 0.00 C ATOM 2054 O GLU A 139 10.927 0.646 -1.509 1.00 0.00 O ATOM 2055 CB GLU A 139 13.275 2.611 -1.913 1.00 0.00 C ATOM 2056 CG GLU A 139 12.722 3.638 -2.891 1.00 0.00 C ATOM 2057 CD GLU A 139 13.662 3.931 -4.026 1.00 0.00 C ATOM 2058 OE1 GLU A 139 14.731 3.370 -4.046 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.311 4.718 -4.874 1.00 0.00 O ATOM 0 H GLU A 139 12.619 0.532 0.306 1.00 0.00 H new ATOM 0 HA GLU A 139 12.223 3.305 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.257 2.942 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.420 1.668 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.776 3.276 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.507 4.563 -2.356 1.00 0.00 H new ATOM 2066 N VAL A 140 10.017 2.658 -1.079 1.00 0.00 N ATOM 2067 CA VAL A 140 8.696 2.296 -1.580 1.00 0.00 C ATOM 2068 C VAL A 140 8.457 2.873 -2.969 1.00 0.00 C ATOM 2069 O VAL A 140 8.639 4.069 -3.195 1.00 0.00 O ATOM 2070 CB VAL A 140 7.603 2.802 -0.621 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.223 2.432 -1.143 1.00 0.00 C ATOM 2072 CG2 VAL A 140 7.827 2.227 0.769 1.00 0.00 C ATOM 0 H VAL A 140 10.077 3.601 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 140 8.652 1.209 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 140 7.660 3.889 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.463 2.798 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.071 2.885 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.145 1.348 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.050 2.589 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 140 7.789 1.139 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 140 8.803 2.540 1.139 1.00 0.00 H new ATOM 2082 N LYS A 141 8.046 2.016 -3.898 1.00 0.00 N ATOM 2083 CA LYS A 141 7.844 2.425 -5.282 1.00 0.00 C ATOM 2084 C LYS A 141 6.425 2.120 -5.745 1.00 0.00 C ATOM 2085 O LYS A 141 5.864 1.076 -5.412 1.00 0.00 O ATOM 2086 CB LYS A 141 8.855 1.735 -6.198 1.00 0.00 C ATOM 2087 CG LYS A 141 10.301 2.151 -5.966 1.00 0.00 C ATOM 2088 CD LYS A 141 11.237 1.477 -6.958 1.00 0.00 C ATOM 2089 CE LYS A 141 12.680 1.906 -6.739 1.00 0.00 C ATOM 2090 NZ LYS A 141 13.602 1.286 -7.729 1.00 0.00 N ATOM 0 H LYS A 141 7.846 1.032 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 141 7.996 3.503 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.774 0.657 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.591 1.946 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.389 3.234 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.597 1.892 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.158 0.395 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.932 1.725 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.750 2.992 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.991 1.630 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.575 1.604 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.555 0.250 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.321 1.569 -8.690 1.00 0.00 H new ATOM 2104 N VAL A 142 5.849 3.037 -6.514 1.00 0.00 N ATOM 2105 CA VAL A 142 4.509 2.850 -7.057 1.00 0.00 C ATOM 2106 C VAL A 142 4.470 3.160 -8.547 1.00 0.00 C ATOM 2107 O VAL A 142 5.018 4.166 -8.998 1.00 0.00 O ATOM 2108 CB VAL A 142 3.503 3.757 -6.322 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.113 3.604 -6.920 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.492 3.421 -4.839 1.00 0.00 C ATOM 0 H VAL A 142 6.290 3.919 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 142 4.236 1.805 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 142 3.809 4.796 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.415 4.252 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.137 3.883 -7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.789 2.567 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.779 4.066 -4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.202 2.379 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.487 3.577 -4.423 1.00 0.00 H new ATOM 2120 N PHE A 143 3.819 2.288 -9.311 1.00 0.00 N ATOM 2121 CA PHE A 143 3.727 2.455 -10.757 1.00 0.00 C ATOM 2122 C PHE A 143 2.297 2.256 -11.243 1.00 0.00 C ATOM 2123 O PHE A 143 1.530 1.496 -10.653 1.00 0.00 O ATOM 2124 CB PHE A 143 4.654 1.469 -11.469 1.00 0.00 C ATOM 2125 CG PHE A 143 6.105 1.641 -11.120 1.00 0.00 C ATOM 2126 CD1 PHE A 143 6.895 2.554 -11.802 1.00 0.00 C ATOM 2127 CD2 PHE A 143 6.683 0.890 -10.107 1.00 0.00 C ATOM 2128 CE1 PHE A 143 8.229 2.713 -11.482 1.00 0.00 C ATOM 2129 CE2 PHE A 143 8.018 1.047 -9.785 1.00 0.00 C ATOM 2130 CZ PHE A 143 8.791 1.958 -10.473 1.00 0.00 C ATOM 0 H PHE A 143 3.347 1.458 -8.952 1.00 0.00 H new ATOM 0 HA PHE A 143 4.035 3.473 -10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.348 0.453 -11.220 1.00 0.00 H new ATOM 0 HB3 PHE A 143 4.533 1.584 -12.546 1.00 0.00 H new ATOM 0 HD1 PHE A 143 6.462 3.148 -12.593 1.00 0.00 H new ATOM 0 HD2 PHE A 143 6.083 0.175 -9.564 1.00 0.00 H new ATOM 0 HE1 PHE A 143 8.832 3.428 -12.021 1.00 0.00 H new ATOM 0 HE2 PHE A 143 8.456 0.456 -8.994 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.834 2.080 -10.223 1.00 0.00 H new ATOM 2140 N ASP A 144 1.943 2.945 -12.323 1.00 0.00 N ATOM 2141 CA ASP A 144 0.608 2.839 -12.896 1.00 0.00 C ATOM 2142 C ASP A 144 0.443 1.538 -13.672 1.00 0.00 C ATOM 2143 O ASP A 144 0.449 1.533 -14.903 1.00 0.00 O ATOM 2144 CB ASP A 144 0.323 4.028 -13.818 1.00 0.00 C ATOM 2145 CG ASP A 144 -1.117 4.064 -14.312 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.902 3.267 -13.853 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -1.419 4.887 -15.142 1.00 0.00 O ATOM 0 H ASP A 144 2.564 3.584 -12.819 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.106 2.844 -12.072 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.543 4.954 -13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.995 3.986 -14.675 1.00 0.00 H new ATOM 2152 N GLU A 145 0.298 0.436 -12.944 1.00 0.00 N ATOM 2153 CA GLU A 145 0.148 -0.876 -13.562 1.00 0.00 C ATOM 2154 C GLU A 145 -1.089 -1.594 -13.036 1.00 0.00 C ATOM 2155 O GLU A 145 -1.068 -2.171 -11.949 1.00 0.00 O ATOM 2156 CB GLU A 145 1.393 -1.730 -13.307 1.00 0.00 C ATOM 2157 CG GLU A 145 2.614 -1.318 -14.116 1.00 0.00 C ATOM 2158 CD GLU A 145 3.858 -2.060 -13.716 1.00 0.00 C ATOM 2159 OE1 GLU A 145 3.843 -3.268 -13.749 1.00 0.00 O ATOM 2160 OE2 GLU A 145 4.826 -1.420 -13.379 1.00 0.00 O ATOM 0 H GLU A 145 0.281 0.426 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 145 0.028 -0.728 -14.635 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.641 -1.681 -12.247 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.157 -2.770 -13.532 1.00 0.00 H new ATOM 0 HG2 GLU A 145 2.418 -1.491 -15.174 1.00 0.00 H new ATOM 0 HG3 GLU A 145 2.780 -0.248 -13.994 1.00 0.00 H new ATOM 2167 N PRO A 146 -2.164 -1.555 -13.815 1.00 0.00 N ATOM 2168 CA PRO A 146 -3.393 -2.254 -13.459 1.00 0.00 C ATOM 2169 C PRO A 146 -3.121 -3.721 -13.145 1.00 0.00 C ATOM 2170 O PRO A 146 -3.344 -4.087 -12.242 1.00 0.00 O ATOM 2171 CB PRO A 146 -4.256 -2.097 -14.715 1.00 0.00 C ATOM 2172 CG PRO A 146 -3.782 -0.822 -15.326 1.00 0.00 C ATOM 2173 CD PRO A 146 -2.295 -0.825 -15.093 1.00 0.00 C ATOM 2174 OXT PRO A 146 -2.640 -4.434 -13.981 1.00 0.00 O ATOM 0 HA PRO A 146 -3.871 -1.857 -12.563 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -4.125 -2.938 -15.396 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.316 -2.050 -14.467 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -4.017 -0.779 -16.389 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.255 0.042 -14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -1.760 -1.325 -15.901 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -1.895 0.186 -15.024 1.00 0.00 H new