USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1086 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 83 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 133 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 97 TYR OH : rot 130:sc= 0 USER MOD Set 2.2: A 134 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0.018) USER MOD Set 3.1: A 1 HIS N :NH3+ 135:sc=0.000392 (180deg=0) USER MOD Set 3.2: A 90 HIS : no HE2:sc= 0.579 K(o=0.58,f=-2.3!) USER MOD Set 4.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 135 HIS : no HE2:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00372 USER MOD Single : A 29 MET CE :methyl -177:sc= 0 (180deg=-0.00774) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.6! C(o=-1.6!,f=-5.5!) USER MOD Single : A 34 SER OG : rot -148:sc= 1.2 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= 0.588 (180deg=0.284) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.515 K(o=0.52,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.156) USER MOD Single : A 73 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 75 MET CE :methyl -159:sc= 0 (180deg=-0.153) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 80 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-3.8!) USER MOD Single : A 85 THR OG1 : rot -138:sc= 0.783 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -32:sc= 0.12 USER MOD Single : A 91 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc=0.000743 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 96 HIS : no HD1:sc= 0.599 K(o=0.6,f=-3.6!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 170:sc= 0.0407 USER MOD Single : A 101 LYS NZ :NH3+ -137:sc= 0.886 (180deg=0.0658) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 126 SER OG : rot -176:sc= 1.55 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 131 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.6!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HE2:sc= 0.179 K(o=0.18,f=-0.93) USER MOD Single : A 157 THR OG1 : rot 90:sc= 0.881 USER MOD Single : A 159 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.019) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0.701 K(o=0.7,f=0) USER MOD Single : A 171 ASN : amide:sc= 0.102 K(o=0.1,f=-2.9) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.202 0.711 -1.626 1.00 25.00 N ATOM 2 CA HIS A 1 0.604 1.810 -2.173 1.00 25.00 C ATOM 3 C HIS A 1 0.226 2.118 -3.666 1.00 25.00 C ATOM 4 O HIS A 1 -0.397 1.290 -4.395 1.00 25.00 O ATOM 5 CB HIS A 1 2.027 1.416 -2.162 1.00 0.00 C ATOM 6 CG HIS A 1 2.517 0.550 -3.304 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.143 -0.788 -3.409 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.294 0.886 -4.374 1.00 0.00 C ATOM 9 CE1 HIS A 1 2.789 -1.249 -4.512 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.486 -0.255 -5.180 1.00 0.00 N ATOM 0 H1 HIS A 1 0.414 0.055 -1.105 1.00 25.00 H new ATOM 0 H2 HIS A 1 -0.922 1.096 -0.982 1.00 25.00 H new ATOM 0 H3 HIS A 1 -0.670 0.203 -2.404 1.00 25.00 H new ATOM 0 HA HIS A 1 0.417 2.691 -1.559 1.00 25.00 H new ATOM 0 HB2 HIS A 1 2.628 2.325 -2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.223 0.887 -1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.697 1.868 -4.572 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.762 -2.280 -4.834 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.014 -0.331 -6.050 1.00 0.00 H new ATOM 17 N GLY A 2 0.413 3.367 -4.040 1.00 25.00 N ATOM 18 CA GLY A 2 -0.006 3.796 -5.328 1.00 25.00 C ATOM 19 C GLY A 2 1.056 4.140 -6.345 1.00 25.00 C ATOM 20 O GLY A 2 2.214 4.012 -5.934 1.00 25.00 O ATOM 0 H GLY A 2 0.850 4.087 -3.465 1.00 25.00 H new ATOM 0 HA2 GLY A 2 -0.633 3.012 -5.753 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -0.639 4.674 -5.197 1.00 25.00 H new ATOM 24 N PHE A 3 0.750 4.652 -7.516 1.00 25.00 N ATOM 25 CA PHE A 3 1.696 5.011 -8.547 1.00 25.00 C ATOM 26 C PHE A 3 1.289 6.411 -9.073 1.00 25.00 C ATOM 27 O PHE A 3 0.084 6.741 -9.168 1.00 25.00 O ATOM 28 CB PHE A 3 1.592 4.073 -9.786 1.00 25.00 C ATOM 29 CG PHE A 3 1.970 2.655 -9.539 1.00 25.00 C ATOM 30 CD1 PHE A 3 3.282 2.193 -9.710 1.00 50.00 C ATOM 31 CD2 PHE A 3 0.977 1.761 -9.064 1.00 50.00 C ATOM 32 CE1 PHE A 3 3.595 0.845 -9.388 1.00 25.00 C ATOM 33 CE2 PHE A 3 1.363 0.430 -8.697 1.00 25.00 C ATOM 34 CZ PHE A 3 2.632 -0.038 -8.818 1.00 25.00 C ATOM 0 H PHE A 3 -0.215 4.838 -7.788 1.00 25.00 H new ATOM 0 HA PHE A 3 2.697 4.958 -8.119 1.00 25.00 H new ATOM 0 HB2 PHE A 3 0.568 4.100 -10.158 1.00 25.00 H new ATOM 0 HB3 PHE A 3 2.229 4.470 -10.577 1.00 25.00 H new ATOM 0 HD1 PHE A 3 4.049 2.856 -10.083 1.00 50.00 H new ATOM 0 HD2 PHE A 3 -0.052 2.077 -8.980 1.00 50.00 H new ATOM 0 HE1 PHE A 3 4.592 0.478 -9.581 1.00 25.00 H new ATOM 0 HE2 PHE A 3 0.607 -0.234 -8.305 1.00 25.00 H new ATOM 0 HZ PHE A 3 2.899 -1.034 -8.497 1.00 25.00 H new ATOM 44 N ILE A 4 2.285 7.226 -9.406 1.00 25.00 N ATOM 45 CA ILE A 4 1.974 8.562 -9.978 1.00 25.00 C ATOM 46 C ILE A 4 1.498 8.219 -11.406 1.00 25.00 C ATOM 47 O ILE A 4 2.105 7.362 -12.084 1.00 25.00 O ATOM 48 CB ILE A 4 3.242 9.466 -9.928 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.769 9.608 -8.488 1.00 25.00 C ATOM 50 CG2 ILE A 4 3.031 10.851 -10.534 1.00 25.00 C ATOM 51 CD1 ILE A 4 5.224 10.074 -8.304 1.00 25.00 C ATOM 0 H ILE A 4 3.277 7.013 -9.302 1.00 25.00 H new ATOM 0 HA ILE A 4 1.218 9.134 -9.441 1.00 25.00 H new ATOM 0 HB ILE A 4 3.983 8.956 -10.543 1.00 25.00 H new ATOM 0 HG12 ILE A 4 3.122 10.310 -7.961 1.00 25.00 H new ATOM 0 HG13 ILE A 4 3.661 8.642 -7.994 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.956 11.424 -10.464 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.745 10.750 -11.581 1.00 25.00 H new ATOM 0 HG23 ILE A 4 2.241 11.369 -9.991 1.00 25.00 H new ATOM 0 HD11 ILE A 4 5.457 10.128 -7.241 1.00 25.00 H new ATOM 0 HD12 ILE A 4 5.897 9.365 -8.787 1.00 25.00 H new ATOM 0 HD13 ILE A 4 5.350 11.059 -8.754 1.00 25.00 H new ATOM 63 N GLU A 5 0.490 8.895 -11.874 1.00 25.00 N ATOM 64 CA GLU A 5 -0.027 8.648 -13.212 1.00 25.00 C ATOM 65 C GLU A 5 -0.313 9.933 -14.017 1.00 25.00 C ATOM 66 O GLU A 5 -1.349 10.210 -14.579 1.00 25.00 O ATOM 67 CB GLU A 5 -1.228 7.708 -13.134 1.00 25.00 C ATOM 68 CG GLU A 5 -1.447 7.009 -14.480 1.00 25.00 C ATOM 69 CD GLU A 5 -0.594 5.768 -14.766 1.00 25.00 C ATOM 70 OE1 GLU A 5 0.274 5.741 -15.638 1.00 25.00 O ATOM 71 OE2 GLU A 5 -0.813 4.789 -14.041 1.00 25.00 O1- ATOM 0 H GLU A 5 0.000 9.626 -11.357 1.00 25.00 H new ATOM 0 HA GLU A 5 0.759 8.155 -13.784 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -1.066 6.965 -12.353 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -2.121 8.270 -12.859 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -2.496 6.721 -14.546 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -1.265 7.735 -15.272 1.00 25.00 H new ATOM 78 N LYS A 6 0.735 10.761 -13.941 1.00 25.00 N ATOM 79 CA LYS A 6 0.986 11.998 -14.691 1.00 25.00 C ATOM 80 C LYS A 6 0.147 13.182 -14.195 1.00 25.00 C ATOM 81 O LYS A 6 -0.920 12.988 -13.598 1.00 25.00 O ATOM 82 CB LYS A 6 0.762 11.709 -16.182 1.00 25.00 C ATOM 83 CG LYS A 6 1.678 10.591 -16.732 1.00 25.00 C ATOM 84 CD LYS A 6 1.651 10.580 -18.192 1.00 25.00 C ATOM 85 CE LYS A 6 2.498 9.319 -18.752 1.00 25.00 C ATOM 86 NZ LYS A 6 2.674 9.474 -20.171 1.00 25.00 N1+ ATOM 0 H LYS A 6 1.499 10.565 -13.294 1.00 25.00 H new ATOM 0 HA LYS A 6 2.018 12.307 -14.527 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -0.279 11.426 -16.338 1.00 25.00 H new ATOM 0 HB3 LYS A 6 0.933 12.622 -16.752 1.00 25.00 H new ATOM 0 HG2 LYS A 6 2.699 10.744 -16.382 1.00 25.00 H new ATOM 0 HG3 LYS A 6 1.352 9.624 -16.349 1.00 25.00 H new ATOM 0 HD2 LYS A 6 0.621 10.522 -18.544 1.00 25.00 H new ATOM 0 HD3 LYS A 6 2.069 11.510 -18.579 1.00 25.00 H new ATOM 0 HE2 LYS A 6 3.467 9.264 -18.255 1.00 25.00 H new ATOM 0 HE3 LYS A 6 1.976 8.387 -18.536 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 3.217 8.669 -20.543 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 1.744 9.508 -20.635 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 3.188 10.357 -20.363 1.00 25.00 H new ATOM 100 N PRO A 7 0.543 14.397 -14.567 1.00 25.00 N ATOM 101 CA PRO A 7 1.555 14.908 -15.477 1.00 25.00 C ATOM 102 C PRO A 7 2.939 14.667 -14.859 1.00 25.00 C ATOM 103 O PRO A 7 3.142 14.904 -13.673 1.00 25.00 O ATOM 104 CB PRO A 7 1.336 16.418 -15.518 1.00 25.00 C ATOM 105 CG PRO A 7 0.605 16.749 -14.286 1.00 25.00 C ATOM 106 CD PRO A 7 -0.195 15.507 -13.985 1.00 25.00 C ATOM 0 HA PRO A 7 1.494 14.437 -16.458 1.00 25.00 H new ATOM 0 HB2 PRO A 7 2.286 16.950 -15.564 1.00 25.00 H new ATOM 0 HB3 PRO A 7 0.766 16.707 -16.401 1.00 25.00 H new ATOM 0 HG2 PRO A 7 1.287 16.990 -13.471 1.00 25.00 H new ATOM 0 HG3 PRO A 7 -0.042 17.615 -14.427 1.00 25.00 H new ATOM 0 HD2 PRO A 7 -0.316 15.373 -12.910 1.00 25.00 H new ATOM 0 HD3 PRO A 7 -1.196 15.576 -14.412 1.00 25.00 H new ATOM 114 N GLY A 8 3.828 14.127 -15.644 1.00 25.00 N ATOM 115 CA GLY A 8 5.190 13.930 -15.212 1.00 25.00 C ATOM 116 C GLY A 8 5.319 12.657 -14.425 1.00 25.00 C ATOM 117 O GLY A 8 4.302 12.223 -13.776 1.00 25.00 O ATOM 0 H GLY A 8 3.635 13.812 -16.595 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.850 13.896 -16.079 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.509 14.775 -14.601 1.00 25.00 H new ATOM 121 N SER A 9 6.512 12.096 -14.420 1.00 25.00 N ATOM 122 CA SER A 9 6.837 10.849 -13.688 1.00 25.00 C ATOM 123 C SER A 9 8.285 10.798 -13.309 1.00 25.00 C ATOM 124 O SER A 9 9.128 10.953 -14.169 1.00 25.00 O ATOM 125 CB SER A 9 6.507 9.641 -14.525 1.00 25.00 C ATOM 126 OG SER A 9 6.991 8.422 -14.007 1.00 25.00 O ATOM 0 H SER A 9 7.307 12.486 -14.926 1.00 25.00 H new ATOM 0 HA SER A 9 6.234 10.843 -12.780 1.00 25.00 H new ATOM 0 HB2 SER A 9 5.424 9.572 -14.630 1.00 25.00 H new ATOM 0 HB3 SER A 9 6.916 9.785 -15.525 1.00 25.00 H new ATOM 0 HG SER A 9 6.735 7.688 -14.604 1.00 25.00 H new ATOM 132 N ARG A 10 8.606 10.463 -12.073 1.00 25.00 N ATOM 133 CA ARG A 10 9.999 10.474 -11.621 1.00 25.00 C ATOM 134 C ARG A 10 10.564 9.145 -11.995 1.00 25.00 C ATOM 135 O ARG A 10 11.780 9.044 -12.212 1.00 25.00 O ATOM 136 CB ARG A 10 10.094 10.838 -10.103 1.00 25.00 C ATOM 137 CG ARG A 10 9.611 9.749 -9.121 1.00 25.00 C ATOM 138 CD ARG A 10 9.664 10.151 -7.670 1.00 25.00 C ATOM 139 NE ARG A 10 11.035 10.267 -7.194 1.00 25.00 N ATOM 140 CZ ARG A 10 11.494 10.747 -6.037 1.00 25.00 C ATOM 141 NH1 ARG A 10 12.780 10.748 -5.890 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 10.750 11.118 -5.053 1.00 25.00 N ATOM 0 H ARG A 10 7.931 10.180 -11.362 1.00 25.00 H new ATOM 0 HA ARG A 10 10.596 11.250 -12.101 1.00 25.00 H new ATOM 0 HB2 ARG A 10 11.132 11.077 -9.870 1.00 25.00 H new ATOM 0 HB3 ARG A 10 9.512 11.743 -9.928 1.00 25.00 H new ATOM 0 HG2 ARG A 10 8.586 9.479 -9.373 1.00 25.00 H new ATOM 0 HG3 ARG A 10 10.220 8.856 -9.260 1.00 25.00 H new ATOM 0 HD2 ARG A 10 9.151 11.103 -7.537 1.00 25.00 H new ATOM 0 HD3 ARG A 10 9.131 9.415 -7.069 1.00 25.00 H new ATOM 0 HE ARG A 10 11.750 9.932 -7.840 1.00 25.00 H new ATOM 0 HH11 ARG A 10 13.379 10.395 -6.636 1.00 25.00 H new ATOM 0 HH12 ARG A 10 13.194 11.102 -5.028 1.00 25.00 H new ATOM 0 HH21 ARG A 10 9.735 11.054 -5.129 1.00 25.00 H new ATOM 0 HH22 ARG A 10 11.176 11.476 -4.198 1.00 25.00 H new ATOM 156 N ALA A 11 9.714 8.177 -12.227 1.00 25.00 N ATOM 157 CA ALA A 11 10.234 6.936 -12.743 1.00 25.00 C ATOM 158 C ALA A 11 10.882 7.080 -14.123 1.00 25.00 C ATOM 159 O ALA A 11 11.924 6.505 -14.367 1.00 25.00 O ATOM 160 CB ALA A 11 9.047 5.894 -12.840 1.00 25.00 C ATOM 0 H ALA A 11 8.706 8.216 -12.076 1.00 25.00 H new ATOM 0 HA ALA A 11 11.013 6.600 -12.059 1.00 25.00 H new ATOM 0 HB1 ALA A 11 9.424 4.948 -13.229 1.00 25.00 H new ATOM 0 HB2 ALA A 11 8.621 5.735 -11.849 1.00 25.00 H new ATOM 0 HB3 ALA A 11 8.277 6.280 -13.508 1.00 25.00 H new ATOM 166 N ALA A 12 10.313 7.950 -14.959 1.00 25.00 N ATOM 167 CA ALA A 12 10.888 8.156 -16.299 1.00 25.00 C ATOM 168 C ALA A 12 12.167 8.969 -16.093 1.00 25.00 C ATOM 169 O ALA A 12 13.119 8.883 -16.928 1.00 25.00 O ATOM 170 CB ALA A 12 9.890 8.886 -17.180 1.00 25.00 C ATOM 0 H ALA A 12 9.485 8.507 -14.749 1.00 25.00 H new ATOM 0 HA ALA A 12 11.116 7.215 -16.800 1.00 25.00 H new ATOM 0 HB1 ALA A 12 10.320 9.036 -18.170 1.00 25.00 H new ATOM 0 HB2 ALA A 12 8.979 8.294 -17.266 1.00 25.00 H new ATOM 0 HB3 ALA A 12 9.653 9.853 -16.737 1.00 25.00 H new ATOM 176 N LEU A 13 12.265 9.693 -14.975 1.00 25.00 N ATOM 177 CA LEU A 13 13.493 10.521 -14.753 1.00 25.00 C ATOM 178 C LEU A 13 14.665 9.814 -13.997 1.00 25.00 C ATOM 179 O LEU A 13 15.737 10.329 -13.846 1.00 25.00 O ATOM 180 CB LEU A 13 13.055 11.723 -13.885 1.00 25.00 C ATOM 181 CG LEU A 13 12.034 12.753 -14.416 1.00 25.00 C ATOM 182 CD1 LEU A 13 11.648 13.735 -13.234 1.00 75.00 C ATOM 183 CD2 LEU A 13 12.699 13.522 -15.567 1.00 75.00 C ATOM 0 H LEU A 13 11.563 9.737 -14.237 1.00 25.00 H new ATOM 0 HA LEU A 13 13.882 10.771 -15.740 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.648 11.317 -12.959 1.00 25.00 H new ATOM 0 HB3 LEU A 13 13.958 12.274 -13.622 1.00 25.00 H new ATOM 0 HG LEU A 13 11.127 12.269 -14.779 1.00 25.00 H new ATOM 0 HD11 LEU A 13 10.927 14.470 -13.592 1.00 75.00 H new ATOM 0 HD12 LEU A 13 11.209 13.164 -12.416 1.00 75.00 H new ATOM 0 HD13 LEU A 13 12.543 14.247 -12.880 1.00 75.00 H new ATOM 0 HD21 LEU A 13 12.001 14.259 -15.964 1.00 75.00 H new ATOM 0 HD22 LEU A 13 13.591 14.029 -15.198 1.00 75.00 H new ATOM 0 HD23 LEU A 13 12.978 12.825 -16.357 1.00 75.00 H new ATOM 398 N MET A 29 14.490 4.410 -5.114 1.00 25.00 N ATOM 399 CA MET A 29 13.639 3.507 -5.974 1.00 25.00 C ATOM 400 C MET A 29 12.741 2.435 -5.440 1.00 25.00 C ATOM 401 O MET A 29 11.882 1.846 -6.142 1.00 25.00 O ATOM 402 CB MET A 29 14.579 2.868 -6.947 1.00 25.00 C ATOM 403 CG MET A 29 15.504 1.787 -6.236 1.00 25.00 C ATOM 404 SD MET A 29 16.608 1.135 -7.550 1.00 25.00 S ATOM 405 CE MET A 29 15.511 -0.038 -8.510 1.00 25.00 C ATOM 0 HA MET A 29 12.881 4.205 -6.328 1.00 25.00 H new ATOM 0 HB2 MET A 29 14.010 2.393 -7.746 1.00 25.00 H new ATOM 0 HB3 MET A 29 15.201 3.634 -7.410 1.00 25.00 H new ATOM 0 HG2 MET A 29 16.081 2.236 -5.428 1.00 25.00 H new ATOM 0 HG3 MET A 29 14.906 0.989 -5.796 1.00 25.00 H new ATOM 0 HE1 MET A 29 16.095 -0.524 -9.292 1.00 25.00 H new ATOM 0 HE2 MET A 29 15.107 -0.793 -7.835 1.00 25.00 H new ATOM 0 HE3 MET A 29 14.691 0.519 -8.963 1.00 25.00 H new ATOM 415 N TYR A 30 12.860 2.026 -4.212 1.00 25.00 N ATOM 416 CA TYR A 30 11.922 0.979 -3.775 1.00 25.00 C ATOM 417 C TYR A 30 10.484 1.449 -3.605 1.00 25.00 C ATOM 418 O TYR A 30 9.582 0.812 -4.086 1.00 25.00 O ATOM 419 CB TYR A 30 12.296 0.366 -2.452 1.00 25.00 C ATOM 420 CG TYR A 30 11.261 -0.631 -1.950 1.00 25.00 C ATOM 421 CD1 TYR A 30 11.058 -1.905 -2.499 1.00 50.00 C ATOM 422 CD2 TYR A 30 10.390 -0.200 -0.899 1.00 50.00 C ATOM 423 CE1 TYR A 30 9.943 -2.690 -2.064 1.00 25.00 C ATOM 424 CE2 TYR A 30 9.311 -0.934 -0.514 1.00 25.00 C ATOM 425 CZ TYR A 30 9.069 -2.162 -1.079 1.00 25.00 C ATOM 426 OH TYR A 30 7.908 -2.784 -0.695 1.00 25.00 O ATOM 0 H TYR A 30 13.536 2.357 -3.523 1.00 25.00 H new ATOM 0 HA TYR A 30 11.991 0.259 -4.590 1.00 25.00 H new ATOM 0 HB2 TYR A 30 13.259 -0.135 -2.548 1.00 25.00 H new ATOM 0 HB3 TYR A 30 12.420 1.157 -1.712 1.00 25.00 H new ATOM 0 HD1 TYR A 30 11.738 -2.291 -3.244 1.00 50.00 H new ATOM 0 HD2 TYR A 30 10.595 0.734 -0.397 1.00 50.00 H new ATOM 0 HE1 TYR A 30 9.769 -3.671 -2.480 1.00 25.00 H new ATOM 0 HE2 TYR A 30 8.641 -0.549 0.240 1.00 25.00 H new ATOM 0 HH TYR A 30 7.463 -2.249 -0.005 1.00 25.00 H new ATOM 436 N GLU A 31 10.277 2.589 -2.932 1.00 25.00 N ATOM 437 CA GLU A 31 8.949 3.227 -2.923 1.00 25.00 C ATOM 438 C GLU A 31 9.025 4.765 -2.890 1.00 25.00 C ATOM 439 O GLU A 31 8.509 5.456 -2.055 1.00 25.00 O ATOM 440 CB GLU A 31 8.115 2.655 -1.759 1.00 25.00 C ATOM 441 CG GLU A 31 8.525 3.016 -0.325 1.00 25.00 C ATOM 442 CD GLU A 31 8.211 2.077 0.808 1.00 25.00 C ATOM 443 OE1 GLU A 31 9.056 1.976 1.694 1.00 25.00 O ATOM 444 OE2 GLU A 31 7.084 1.567 0.886 1.00 25.00 O1- ATOM 0 H GLU A 31 10.993 3.081 -2.397 1.00 25.00 H new ATOM 0 HA GLU A 31 8.449 2.990 -3.862 1.00 25.00 H new ATOM 0 HB2 GLU A 31 7.083 2.976 -1.900 1.00 25.00 H new ATOM 0 HB3 GLU A 31 8.126 1.568 -1.845 1.00 25.00 H new ATOM 0 HG2 GLU A 31 9.604 3.173 -0.326 1.00 25.00 H new ATOM 0 HG3 GLU A 31 8.064 3.975 -0.088 1.00 25.00 H new ATOM 451 N PRO A 32 9.666 5.338 -3.956 1.00 25.00 N ATOM 452 CA PRO A 32 10.032 6.764 -3.839 1.00 25.00 C ATOM 453 C PRO A 32 8.821 7.721 -3.895 1.00 25.00 C ATOM 454 O PRO A 32 8.965 8.904 -3.665 1.00 25.00 O ATOM 455 CB PRO A 32 10.912 7.027 -5.058 1.00 25.00 C ATOM 456 CG PRO A 32 10.243 6.078 -6.130 1.00 25.00 C ATOM 457 CD PRO A 32 10.097 4.817 -5.284 1.00 25.00 C ATOM 0 HA PRO A 32 10.511 6.947 -2.877 1.00 25.00 H new ATOM 0 HB2 PRO A 32 10.890 8.073 -5.364 1.00 25.00 H new ATOM 0 HB3 PRO A 32 11.955 6.770 -4.875 1.00 25.00 H new ATOM 0 HG2 PRO A 32 9.286 6.457 -6.487 1.00 25.00 H new ATOM 0 HG3 PRO A 32 10.872 5.925 -7.007 1.00 25.00 H new ATOM 0 HD2 PRO A 32 9.360 4.134 -5.706 1.00 25.00 H new ATOM 0 HD3 PRO A 32 11.037 4.269 -5.215 1.00 25.00 H new ATOM 465 N GLN A 33 7.677 7.200 -4.253 1.00 25.00 N ATOM 466 CA GLN A 33 6.403 7.904 -4.420 1.00 25.00 C ATOM 467 C GLN A 33 5.713 8.176 -3.050 1.00 25.00 C ATOM 468 O GLN A 33 4.842 8.978 -2.936 1.00 25.00 O ATOM 469 CB GLN A 33 5.541 7.119 -5.378 1.00 25.00 C ATOM 470 CG GLN A 33 4.728 5.838 -4.896 1.00 25.00 C ATOM 471 CD GLN A 33 5.592 4.750 -4.339 1.00 25.00 C ATOM 472 OE1 GLN A 33 6.658 4.484 -4.899 1.00 25.00 O ATOM 473 NE2 GLN A 33 5.185 4.174 -3.240 1.00 25.00 N ATOM 0 H GLN A 33 7.590 6.204 -4.453 1.00 25.00 H new ATOM 0 HA GLN A 33 6.576 8.891 -4.848 1.00 25.00 H new ATOM 0 HB2 GLN A 33 4.816 7.816 -5.798 1.00 25.00 H new ATOM 0 HB3 GLN A 33 6.186 6.798 -6.196 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.007 6.141 -4.137 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.159 5.443 -5.737 1.00 25.00 H new ATOM 0 HE21 GLN A 33 4.291 4.439 -2.826 1.00 25.00 H new ATOM 0 HE22 GLN A 33 5.761 3.459 -2.796 1.00 25.00 H new ATOM 482 N SER A 34 6.175 7.491 -1.999 1.00 25.00 N ATOM 483 CA SER A 34 5.614 7.646 -0.665 1.00 25.00 C ATOM 484 C SER A 34 6.639 8.067 0.377 1.00 25.00 C ATOM 485 O SER A 34 7.785 7.611 0.327 1.00 25.00 O ATOM 486 CB SER A 34 4.978 6.330 -0.258 1.00 25.00 C ATOM 487 OG SER A 34 4.181 6.511 0.882 1.00 25.00 O ATOM 0 H SER A 34 6.942 6.821 -2.054 1.00 25.00 H new ATOM 0 HA SER A 34 4.877 8.448 -0.707 1.00 25.00 H new ATOM 0 HB2 SER A 34 4.372 5.942 -1.077 1.00 25.00 H new ATOM 0 HB3 SER A 34 5.753 5.590 -0.056 1.00 25.00 H new ATOM 0 HG SER A 34 4.191 5.693 1.421 1.00 25.00 H new ATOM 493 N LEU A 35 6.244 8.954 1.332 1.00 25.00 N ATOM 494 CA LEU A 35 6.860 9.107 2.626 1.00 25.00 C ATOM 495 C LEU A 35 5.899 8.429 3.613 1.00 25.00 C ATOM 496 O LEU A 35 4.740 8.833 3.872 1.00 25.00 O ATOM 497 CB LEU A 35 7.086 10.584 2.967 1.00 25.00 C ATOM 498 CG LEU A 35 7.947 11.465 2.041 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.513 12.873 2.199 1.00 50.00 C ATOM 500 CD2 LEU A 35 9.457 11.245 2.211 1.00 50.00 C ATOM 0 H LEU A 35 5.460 9.591 1.191 1.00 25.00 H new ATOM 0 HA LEU A 35 7.850 8.652 2.661 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.105 11.053 3.041 1.00 25.00 H new ATOM 0 HB3 LEU A 35 7.534 10.623 3.960 1.00 25.00 H new ATOM 0 HG LEU A 35 7.780 11.167 1.006 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.111 13.513 1.551 1.00 50.00 H new ATOM 0 HD12 LEU A 35 6.461 12.962 1.927 1.00 50.00 H new ATOM 0 HD13 LEU A 35 7.646 13.181 3.236 1.00 50.00 H new ATOM 0 HD21 LEU A 35 9.999 11.898 1.528 1.00 50.00 H new ATOM 0 HD22 LEU A 35 9.745 11.474 3.237 1.00 50.00 H new ATOM 0 HD23 LEU A 35 9.701 10.206 1.989 1.00 50.00 H new ATOM 512 N GLU A 36 6.339 7.311 4.110 1.00 25.00 N ATOM 513 CA GLU A 36 5.505 6.458 4.912 1.00 25.00 C ATOM 514 C GLU A 36 5.583 7.005 6.275 1.00 25.00 C ATOM 515 O GLU A 36 6.650 7.521 6.660 1.00 25.00 O ATOM 516 CB GLU A 36 6.088 5.058 4.943 1.00 25.00 C ATOM 517 CG GLU A 36 6.207 4.270 3.659 1.00 25.00 C ATOM 518 CD GLU A 36 4.848 3.697 3.222 1.00 25.00 C ATOM 519 OE1 GLU A 36 4.421 2.746 3.819 1.00 25.00 O ATOM 520 OE2 GLU A 36 4.166 4.188 2.308 1.00 25.00 O1- ATOM 0 H GLU A 36 7.287 6.962 3.972 1.00 25.00 H new ATOM 0 HA GLU A 36 4.488 6.416 4.523 1.00 25.00 H new ATOM 0 HB2 GLU A 36 7.086 5.130 5.375 1.00 25.00 H new ATOM 0 HB3 GLU A 36 5.484 4.468 5.633 1.00 25.00 H new ATOM 0 HG2 GLU A 36 6.602 4.912 2.872 1.00 25.00 H new ATOM 0 HG3 GLU A 36 6.920 3.456 3.795 1.00 25.00 H new ATOM 527 N ALA A 37 4.547 6.835 7.073 1.00 25.00 N ATOM 528 CA ALA A 37 4.564 7.135 8.512 1.00 25.00 C ATOM 529 C ALA A 37 3.737 6.086 9.216 1.00 25.00 C ATOM 530 O ALA A 37 3.030 5.264 8.624 1.00 25.00 O ATOM 531 CB ALA A 37 3.918 8.549 8.709 1.00 25.00 C ATOM 0 H ALA A 37 3.649 6.479 6.745 1.00 25.00 H new ATOM 0 HA ALA A 37 5.577 7.131 8.915 1.00 25.00 H new ATOM 0 HB1 ALA A 37 3.915 8.803 9.769 1.00 25.00 H new ATOM 0 HB2 ALA A 37 4.495 9.292 8.159 1.00 25.00 H new ATOM 0 HB3 ALA A 37 2.894 8.536 8.336 1.00 25.00 H new ATOM 537 N LYS A 38 3.783 6.066 10.577 1.00 25.00 N ATOM 538 CA LYS A 38 2.947 5.094 11.331 1.00 25.00 C ATOM 539 C LYS A 38 2.317 5.827 12.525 1.00 25.00 C ATOM 540 O LYS A 38 2.929 6.745 13.041 1.00 25.00 O ATOM 541 CB LYS A 38 3.807 3.846 11.661 1.00 25.00 C ATOM 542 CG LYS A 38 3.061 2.570 11.964 1.00 25.00 C ATOM 543 CD LYS A 38 4.017 1.456 12.370 1.00 25.00 C ATOM 544 CE LYS A 38 3.329 0.149 12.667 1.00 25.00 C ATOM 545 NZ LYS A 38 4.351 -0.992 13.093 1.00 25.00 N1+ ATOM 0 H LYS A 38 4.361 6.681 11.150 1.00 25.00 H new ATOM 0 HA LYS A 38 2.106 4.706 10.756 1.00 25.00 H new ATOM 0 HB2 LYS A 38 4.473 3.659 10.818 1.00 25.00 H new ATOM 0 HB3 LYS A 38 4.437 4.084 12.518 1.00 25.00 H new ATOM 0 HG2 LYS A 38 2.343 2.747 12.765 1.00 25.00 H new ATOM 0 HG3 LYS A 38 2.491 2.262 11.087 1.00 25.00 H new ATOM 0 HD2 LYS A 38 4.742 1.302 11.571 1.00 25.00 H new ATOM 0 HD3 LYS A 38 4.576 1.771 13.251 1.00 25.00 H new ATOM 0 HE2 LYS A 38 2.602 0.298 13.465 1.00 25.00 H new ATOM 0 HE3 LYS A 38 2.774 -0.175 11.786 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 3.829 -1.871 13.287 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 5.030 -1.155 12.322 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 4.863 -0.698 13.949 1.00 25.00 H new ATOM 559 N LYS A 39 1.114 5.479 12.961 1.00 25.00 N ATOM 560 CA LYS A 39 0.439 6.121 14.100 1.00 25.00 C ATOM 561 C LYS A 39 1.146 5.529 15.364 1.00 25.00 C ATOM 562 O LYS A 39 1.413 4.314 15.457 1.00 25.00 O ATOM 563 CB LYS A 39 -1.068 5.718 14.164 1.00 25.00 C ATOM 564 CG LYS A 39 -1.858 6.184 12.992 1.00 25.00 C ATOM 565 CD LYS A 39 -3.195 5.423 13.002 1.00 25.00 C ATOM 566 CE LYS A 39 -3.934 5.870 11.698 1.00 25.00 C ATOM 567 NZ LYS A 39 -5.190 5.161 11.391 1.00 25.00 N1+ ATOM 0 H LYS A 39 0.565 4.733 12.533 1.00 25.00 H new ATOM 0 HA LYS A 39 0.494 7.207 14.024 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -1.143 4.633 14.234 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -1.507 6.127 15.074 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -2.029 7.259 13.048 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -1.316 5.995 12.065 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -3.034 4.345 13.013 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -3.780 5.667 13.889 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -4.151 6.936 11.774 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -3.253 5.743 10.856 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -5.796 5.767 10.802 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -4.976 4.282 10.878 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -5.685 4.933 12.277 1.00 25.00 H new ATOM 781 N LEU A 57 9.757 20.640 8.189 1.00 25.00 N ATOM 782 CA LEU A 57 9.647 21.462 7.005 1.00 25.00 C ATOM 783 C LEU A 57 10.549 22.744 7.069 1.00 25.00 C ATOM 784 O LEU A 57 10.966 23.369 6.129 1.00 25.00 O ATOM 785 CB LEU A 57 8.187 21.880 6.678 1.00 25.00 C ATOM 786 CG LEU A 57 7.066 20.807 6.741 1.00 25.00 C ATOM 787 CD1 LEU A 57 5.661 21.434 6.652 1.00 50.00 C ATOM 788 CD2 LEU A 57 7.285 19.724 5.758 1.00 50.00 C ATOM 0 HA LEU A 57 10.005 20.820 6.200 1.00 25.00 H new ATOM 0 HB2 LEU A 57 7.913 22.683 7.362 1.00 25.00 H new ATOM 0 HB3 LEU A 57 8.183 22.302 5.673 1.00 25.00 H new ATOM 0 HG LEU A 57 7.120 20.337 7.723 1.00 25.00 H new ATOM 0 HD11 LEU A 57 4.908 20.647 6.700 1.00 50.00 H new ATOM 0 HD12 LEU A 57 5.518 22.125 7.483 1.00 50.00 H new ATOM 0 HD13 LEU A 57 5.562 21.974 5.710 1.00 50.00 H new ATOM 0 HD21 LEU A 57 6.479 18.994 5.835 1.00 50.00 H new ATOM 0 HD22 LEU A 57 7.300 20.143 4.752 1.00 50.00 H new ATOM 0 HD23 LEU A 57 8.238 19.235 5.962 1.00 50.00 H new ATOM 800 N PHE A 58 11.031 22.963 8.299 1.00 25.00 N ATOM 801 CA PHE A 58 12.269 23.724 8.423 1.00 25.00 C ATOM 802 C PHE A 58 13.404 22.745 7.990 1.00 25.00 C ATOM 803 O PHE A 58 14.423 23.034 7.299 1.00 25.00 O ATOM 804 CB PHE A 58 12.542 24.242 9.835 1.00 25.00 C ATOM 805 CG PHE A 58 11.569 25.321 10.281 1.00 25.00 C ATOM 806 CD1 PHE A 58 10.524 25.008 11.157 1.00 50.00 C ATOM 807 CD2 PHE A 58 11.783 26.645 9.927 1.00 50.00 C ATOM 808 CE1 PHE A 58 9.620 25.959 11.585 1.00 25.00 C ATOM 809 CE2 PHE A 58 11.016 27.707 10.509 1.00 25.00 C ATOM 810 CZ PHE A 58 9.941 27.390 11.340 1.00 25.00 C ATOM 0 H PHE A 58 10.610 22.644 9.171 1.00 25.00 H new ATOM 0 HA PHE A 58 12.206 24.619 7.804 1.00 25.00 H new ATOM 0 HB2 PHE A 58 12.494 23.408 10.535 1.00 25.00 H new ATOM 0 HB3 PHE A 58 13.557 24.638 9.879 1.00 25.00 H new ATOM 0 HD1 PHE A 58 10.422 23.992 11.509 1.00 50.00 H new ATOM 0 HD2 PHE A 58 12.544 26.881 9.197 1.00 50.00 H new ATOM 0 HE1 PHE A 58 8.706 25.672 12.083 1.00 25.00 H new ATOM 0 HE2 PHE A 58 11.267 28.738 10.307 1.00 25.00 H new ATOM 0 HZ PHE A 58 9.352 28.171 11.798 1.00 25.00 H new ATOM 820 N GLY A 59 13.174 21.465 8.309 1.00 25.00 N ATOM 821 CA GLY A 59 14.135 20.435 7.864 1.00 25.00 C ATOM 822 C GLY A 59 13.991 20.193 6.361 1.00 25.00 C ATOM 823 O GLY A 59 14.904 19.881 5.617 1.00 25.00 O ATOM 0 H GLY A 59 12.376 21.124 8.845 1.00 25.00 H new ATOM 0 HA2 GLY A 59 15.152 20.753 8.093 1.00 25.00 H new ATOM 0 HA3 GLY A 59 13.962 19.506 8.408 1.00 25.00 H new ATOM 827 N GLY A 60 12.852 20.649 5.870 1.00 25.00 N ATOM 828 CA GLY A 60 12.562 20.608 4.464 1.00 25.00 C ATOM 829 C GLY A 60 13.416 21.546 3.672 1.00 25.00 C ATOM 830 O GLY A 60 13.667 21.405 2.499 1.00 25.00 O ATOM 0 H GLY A 60 12.110 21.055 6.440 1.00 25.00 H new ATOM 0 HA2 GLY A 60 12.707 19.592 4.096 1.00 25.00 H new ATOM 0 HA3 GLY A 60 11.513 20.857 4.306 1.00 25.00 H new ATOM 834 N ILE A 61 13.953 22.569 4.318 1.00 25.00 N ATOM 835 CA ILE A 61 14.860 23.506 3.667 1.00 25.00 C ATOM 836 C ILE A 61 16.159 22.822 3.380 1.00 25.00 C ATOM 837 O ILE A 61 16.722 22.926 2.287 1.00 25.00 O ATOM 838 CB ILE A 61 15.110 24.810 4.519 1.00 25.00 C ATOM 839 CG1 ILE A 61 13.783 25.520 4.813 1.00 25.00 C ATOM 840 CG2 ILE A 61 16.144 25.679 3.779 1.00 25.00 C ATOM 841 CD1 ILE A 61 13.001 26.078 3.575 1.00 25.00 C ATOM 0 H ILE A 61 13.775 22.774 5.301 1.00 25.00 H new ATOM 0 HA ILE A 61 14.387 23.826 2.738 1.00 25.00 H new ATOM 0 HB ILE A 61 15.526 24.573 5.498 1.00 25.00 H new ATOM 0 HG12 ILE A 61 13.133 24.823 5.342 1.00 25.00 H new ATOM 0 HG13 ILE A 61 13.982 26.348 5.493 1.00 25.00 H new ATOM 0 HG21 ILE A 61 16.332 26.587 4.351 1.00 25.00 H new ATOM 0 HG22 ILE A 61 17.074 25.122 3.667 1.00 25.00 H new ATOM 0 HG23 ILE A 61 15.759 25.944 2.794 1.00 25.00 H new ATOM 0 HD11 ILE A 61 12.081 26.557 3.911 1.00 25.00 H new ATOM 0 HD12 ILE A 61 13.620 26.807 3.052 1.00 25.00 H new ATOM 0 HD13 ILE A 61 12.757 25.258 2.899 1.00 25.00 H new ATOM 853 N LEU A 62 16.658 22.011 4.319 1.00 25.00 N ATOM 854 CA LEU A 62 17.845 21.177 4.042 1.00 25.00 C ATOM 855 C LEU A 62 17.731 19.996 3.141 1.00 25.00 C ATOM 856 O LEU A 62 18.726 19.525 2.654 1.00 25.00 O ATOM 857 CB LEU A 62 18.416 20.666 5.397 1.00 25.00 C ATOM 858 CG LEU A 62 18.840 21.693 6.466 1.00 25.00 C ATOM 859 CD1 LEU A 62 19.070 20.991 7.764 1.00 75.00 C ATOM 860 CD2 LEU A 62 20.146 22.433 6.030 1.00 75.00 C ATOM 0 H LEU A 62 16.273 21.911 5.258 1.00 25.00 H new ATOM 0 HA LEU A 62 18.479 21.864 3.482 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.665 20.015 5.846 1.00 25.00 H new ATOM 0 HB3 LEU A 62 19.284 20.045 5.175 1.00 25.00 H new ATOM 0 HG LEU A 62 18.045 22.430 6.581 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.370 21.715 8.521 1.00 75.00 H new ATOM 0 HD12 LEU A 62 18.151 20.497 8.078 1.00 75.00 H new ATOM 0 HD13 LEU A 62 19.858 20.248 7.641 1.00 75.00 H new ATOM 0 HD21 LEU A 62 20.429 23.154 6.797 1.00 75.00 H new ATOM 0 HD22 LEU A 62 20.949 21.708 5.899 1.00 75.00 H new ATOM 0 HD23 LEU A 62 19.972 22.955 5.089 1.00 75.00 H new ATOM 872 N ASP A 63 16.516 19.438 3.072 1.00 25.00 N ATOM 873 CA ASP A 63 16.237 18.295 2.244 1.00 25.00 C ATOM 874 C ASP A 63 16.384 18.728 0.801 1.00 25.00 C ATOM 875 O ASP A 63 16.855 17.921 0.002 1.00 25.00 O ATOM 876 CB ASP A 63 14.805 17.861 2.620 1.00 25.00 C ATOM 877 CG ASP A 63 14.639 16.336 2.535 1.00 25.00 C ATOM 878 OD1 ASP A 63 13.574 15.842 2.152 1.00 50.00 O ATOM 879 OD2 ASP A 63 15.560 15.598 2.984 1.00 50.00 O1- ATOM 0 H ASP A 63 15.709 19.778 3.595 1.00 25.00 H new ATOM 0 HA ASP A 63 16.911 17.450 2.386 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.575 18.197 3.631 1.00 25.00 H new ATOM 0 HB3 ASP A 63 14.090 18.344 1.953 1.00 25.00 H new ATOM 884 N GLN A 64 16.151 20.009 0.512 1.00 25.00 N ATOM 885 CA GLN A 64 16.348 20.497 -0.812 1.00 25.00 C ATOM 886 C GLN A 64 17.861 20.751 -1.104 1.00 25.00 C ATOM 887 O GLN A 64 18.223 21.394 -2.085 1.00 25.00 O ATOM 888 CB GLN A 64 15.498 21.768 -1.117 1.00 25.00 C ATOM 889 CG GLN A 64 14.042 21.497 -0.959 1.00 25.00 C ATOM 890 CD GLN A 64 13.258 22.775 -1.120 1.00 25.00 C ATOM 891 OE1 GLN A 64 12.857 23.147 -2.206 1.00 25.00 O ATOM 892 NE2 GLN A 64 13.200 23.514 -0.058 1.00 25.00 N ATOM 0 H GLN A 64 15.829 20.705 1.185 1.00 25.00 H new ATOM 0 HA GLN A 64 15.997 19.715 -1.485 1.00 25.00 H new ATOM 0 HB2 GLN A 64 15.794 22.575 -0.447 1.00 25.00 H new ATOM 0 HB3 GLN A 64 15.699 22.107 -2.133 1.00 25.00 H new ATOM 0 HG2 GLN A 64 13.717 20.766 -1.700 1.00 25.00 H new ATOM 0 HG3 GLN A 64 13.849 21.064 0.022 1.00 25.00 H new ATOM 0 HE21 GLN A 64 13.550 23.157 0.831 1.00 25.00 H new ATOM 0 HE22 GLN A 64 12.805 24.453 -0.111 1.00 25.00 H new ATOM 901 N GLN A 65 18.729 20.377 -0.219 1.00 25.00 N ATOM 902 CA GLN A 65 20.177 20.598 -0.368 1.00 25.00 C ATOM 903 C GLN A 65 20.791 19.212 -0.185 1.00 25.00 C ATOM 904 O GLN A 65 21.718 18.984 0.591 1.00 25.00 O ATOM 905 CB GLN A 65 20.643 21.625 0.697 1.00 25.00 C ATOM 906 CG GLN A 65 19.974 22.965 0.504 1.00 25.00 C ATOM 907 CD GLN A 65 20.301 23.906 1.597 1.00 25.00 C ATOM 908 OE1 GLN A 65 21.410 24.280 1.762 1.00 25.00 O ATOM 909 NE2 GLN A 65 19.282 24.444 2.233 1.00 25.00 N ATOM 0 H GLN A 65 18.474 19.902 0.647 1.00 25.00 H new ATOM 0 HA GLN A 65 20.475 21.017 -1.329 1.00 25.00 H new ATOM 0 HB2 GLN A 65 20.418 21.245 1.693 1.00 25.00 H new ATOM 0 HB3 GLN A 65 21.725 21.746 0.639 1.00 25.00 H new ATOM 0 HG2 GLN A 65 20.286 23.393 -0.449 1.00 25.00 H new ATOM 0 HG3 GLN A 65 18.894 22.828 0.454 1.00 25.00 H new ATOM 0 HE21 GLN A 65 18.337 24.097 2.068 1.00 25.00 H new ATOM 0 HE22 GLN A 65 19.437 25.207 2.891 1.00 25.00 H new ATOM 918 N SER A 66 20.125 18.212 -0.741 1.00 25.00 N ATOM 919 CA SER A 66 20.418 16.764 -0.548 1.00 25.00 C ATOM 920 C SER A 66 19.899 16.032 -1.754 1.00 25.00 C ATOM 921 O SER A 66 19.096 16.641 -2.488 1.00 25.00 O ATOM 922 CB SER A 66 19.718 16.284 0.728 1.00 25.00 C ATOM 923 OG SER A 66 19.847 14.910 0.979 1.00 25.00 O ATOM 0 H SER A 66 19.334 18.371 -1.365 1.00 25.00 H new ATOM 0 HA SER A 66 21.487 16.580 -0.442 1.00 25.00 H new ATOM 0 HB2 SER A 66 20.121 16.835 1.578 1.00 25.00 H new ATOM 0 HB3 SER A 66 18.658 16.531 0.661 1.00 25.00 H new ATOM 0 HG SER A 66 19.376 14.683 1.808 1.00 25.00 H new ATOM 929 N GLU A 67 20.210 14.751 -1.948 1.00 25.00 N ATOM 930 CA GLU A 67 19.649 14.000 -3.044 1.00 25.00 C ATOM 931 C GLU A 67 18.101 13.785 -2.791 1.00 25.00 C ATOM 932 O GLU A 67 17.306 13.555 -3.635 1.00 25.00 O ATOM 933 CB GLU A 67 20.325 12.654 -3.035 1.00 25.00 C ATOM 934 CG GLU A 67 20.017 11.747 -4.158 1.00 25.00 C ATOM 935 CD GLU A 67 20.881 10.539 -4.107 1.00 25.00 C ATOM 936 OE1 GLU A 67 22.008 10.527 -4.691 1.00 25.00 O ATOM 937 OE2 GLU A 67 20.457 9.498 -3.531 1.00 25.00 O1- ATOM 0 H GLU A 67 20.848 14.221 -1.354 1.00 25.00 H new ATOM 0 HA GLU A 67 19.792 14.520 -3.991 1.00 25.00 H new ATOM 0 HB2 GLU A 67 21.403 12.815 -3.014 1.00 25.00 H new ATOM 0 HB3 GLU A 67 20.061 12.147 -2.107 1.00 25.00 H new ATOM 0 HG2 GLU A 67 18.968 11.453 -4.118 1.00 25.00 H new ATOM 0 HG3 GLU A 67 20.166 12.267 -5.104 1.00 25.00 H new ATOM 944 N ASN A 68 17.683 14.029 -1.573 1.00 25.00 N ATOM 945 CA ASN A 68 16.308 13.987 -1.213 1.00 25.00 C ATOM 946 C ASN A 68 15.608 15.298 -1.471 1.00 25.00 C ATOM 947 O ASN A 68 14.473 15.534 -1.060 1.00 25.00 O ATOM 948 CB ASN A 68 16.179 13.689 0.256 1.00 25.00 C ATOM 949 CG ASN A 68 16.783 12.393 0.670 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.771 11.395 -0.043 1.00 25.00 O ATOM 951 ND2 ASN A 68 17.440 12.422 1.794 1.00 25.00 N ATOM 0 H ASN A 68 18.306 14.265 -0.801 1.00 25.00 H new ATOM 0 HA ASN A 68 15.846 13.212 -1.824 1.00 25.00 H new ATOM 0 HB2 ASN A 68 16.649 14.494 0.821 1.00 25.00 H new ATOM 0 HB3 ASN A 68 15.122 13.687 0.524 1.00 25.00 H new ATOM 0 HD21 ASN A 68 17.962 11.601 2.101 1.00 25.00 H new ATOM 0 HD22 ASN A 68 17.433 13.266 2.367 1.00 25.00 H new ATOM 958 N ARG A 69 16.236 16.089 -2.347 1.00 25.00 N ATOM 959 CA ARG A 69 15.570 17.217 -2.996 1.00 25.00 C ATOM 960 C ARG A 69 14.634 16.611 -3.995 1.00 25.00 C ATOM 961 O ARG A 69 14.980 16.145 -5.117 1.00 25.00 O ATOM 962 CB ARG A 69 16.493 18.212 -3.720 1.00 25.00 C ATOM 963 CG ARG A 69 15.874 19.349 -4.385 1.00 25.00 C ATOM 964 CD ARG A 69 16.864 20.397 -4.920 1.00 25.00 C ATOM 965 NE ARG A 69 16.135 21.600 -5.377 1.00 25.00 N ATOM 966 CZ ARG A 69 16.655 22.700 -5.890 1.00 25.00 C ATOM 967 NH1 ARG A 69 15.803 23.635 -6.107 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 17.886 22.912 -6.041 1.00 25.00 N ATOM 0 H ARG A 69 17.210 15.965 -2.622 1.00 25.00 H new ATOM 0 HA ARG A 69 15.088 17.810 -2.219 1.00 25.00 H new ATOM 0 HB2 ARG A 69 17.207 18.597 -2.992 1.00 25.00 H new ATOM 0 HB3 ARG A 69 17.064 17.658 -4.465 1.00 25.00 H new ATOM 0 HG2 ARG A 69 15.270 18.983 -5.215 1.00 25.00 H new ATOM 0 HG3 ARG A 69 15.194 19.835 -3.686 1.00 25.00 H new ATOM 0 HD2 ARG A 69 17.575 20.668 -4.140 1.00 25.00 H new ATOM 0 HD3 ARG A 69 17.440 19.977 -5.744 1.00 25.00 H new ATOM 0 HE ARG A 69 15.119 21.577 -5.286 1.00 25.00 H new ATOM 0 HH11 ARG A 69 14.818 23.490 -5.884 1.00 25.00 H new ATOM 0 HH12 ARG A 69 16.111 24.524 -6.502 1.00 25.00 H new ATOM 0 HH21 ARG A 69 18.564 22.204 -5.758 1.00 25.00 H new ATOM 0 HH22 ARG A 69 18.206 23.791 -6.447 1.00 25.00 H new ATOM 982 N TRP A 70 13.474 16.564 -3.432 1.00 25.00 N ATOM 983 CA TRP A 70 12.268 16.047 -4.057 1.00 25.00 C ATOM 984 C TRP A 70 12.157 16.585 -5.502 1.00 25.00 C ATOM 985 O TRP A 70 12.632 17.721 -5.831 1.00 25.00 O ATOM 986 CB TRP A 70 11.147 16.511 -3.170 1.00 25.00 C ATOM 987 CG TRP A 70 11.243 17.938 -2.615 1.00 25.00 C ATOM 988 CD1 TRP A 70 11.506 19.084 -3.300 1.00 25.00 C ATOM 989 CD2 TRP A 70 11.151 18.324 -1.237 1.00 25.00 C ATOM 990 NE1 TRP A 70 11.297 20.194 -2.534 1.00 25.00 N ATOM 991 CE2 TRP A 70 11.027 19.781 -1.252 1.00 25.00 C ATOM 992 CE3 TRP A 70 11.223 17.673 0.005 1.00 25.00 C ATOM 993 CZ2 TRP A 70 10.838 20.525 -0.051 1.00 25.00 C ATOM 994 CZ3 TRP A 70 11.005 18.431 1.242 1.00 25.00 C ATOM 995 CH2 TRP A 70 10.837 19.844 1.177 1.00 25.00 C ATOM 0 H TRP A 70 13.316 16.896 -2.481 1.00 25.00 H new ATOM 0 HA TRP A 70 12.255 14.961 -4.149 1.00 25.00 H new ATOM 0 HB2 TRP A 70 10.215 16.427 -3.730 1.00 25.00 H new ATOM 0 HB3 TRP A 70 11.075 15.824 -2.327 1.00 25.00 H new ATOM 0 HD1 TRP A 70 11.840 19.112 -4.327 1.00 25.00 H new ATOM 0 HE1 TRP A 70 11.335 21.161 -2.857 1.00 25.00 H new ATOM 0 HE3 TRP A 70 11.439 16.616 0.050 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 10.698 21.595 -0.085 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 10.972 17.922 2.194 1.00 25.00 H new ATOM 0 HH2 TRP A 70 10.706 20.403 2.092 1.00 25.00 H new ATOM 1006 N PHE A 71 11.623 15.811 -6.422 1.00 25.00 N ATOM 1007 CA PHE A 71 11.914 16.028 -7.813 1.00 25.00 C ATOM 1008 C PHE A 71 11.099 17.156 -8.392 1.00 25.00 C ATOM 1009 O PHE A 71 9.878 17.265 -8.161 1.00 25.00 O ATOM 1010 CB PHE A 71 11.762 14.684 -8.493 1.00 25.00 C ATOM 1011 CG PHE A 71 10.328 14.329 -8.820 1.00 25.00 C ATOM 1012 CD1 PHE A 71 9.461 13.763 -7.850 1.00 50.00 C ATOM 1013 CD2 PHE A 71 9.870 14.565 -10.138 1.00 50.00 C ATOM 1014 CE1 PHE A 71 8.144 13.442 -8.250 1.00 25.00 C ATOM 1015 CE2 PHE A 71 8.583 14.105 -10.509 1.00 25.00 C ATOM 1016 CZ PHE A 71 7.690 13.616 -9.569 1.00 25.00 C ATOM 0 H PHE A 71 10.991 15.034 -6.230 1.00 25.00 H new ATOM 0 HA PHE A 71 12.933 16.379 -7.975 1.00 25.00 H new ATOM 0 HB2 PHE A 71 12.346 14.684 -9.413 1.00 25.00 H new ATOM 0 HB3 PHE A 71 12.181 13.911 -7.849 1.00 25.00 H new ATOM 0 HD1 PHE A 71 9.796 13.583 -6.839 1.00 50.00 H new ATOM 0 HD2 PHE A 71 10.492 15.088 -10.850 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.460 13.048 -7.513 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.291 14.136 -11.548 1.00 25.00 H new ATOM 0 HZ PHE A 71 6.673 13.375 -9.842 1.00 25.00 H new ATOM 1026 N LYS A 72 11.861 18.030 -9.112 1.00 25.00 N ATOM 1027 CA LYS A 72 11.307 19.206 -9.756 1.00 25.00 C ATOM 1028 C LYS A 72 10.933 18.941 -11.232 1.00 25.00 C ATOM 1029 O LYS A 72 11.563 18.109 -11.842 1.00 25.00 O ATOM 1030 CB LYS A 72 12.310 20.353 -9.775 1.00 25.00 C ATOM 1031 CG LYS A 72 12.996 20.709 -8.463 1.00 25.00 C ATOM 1032 CD LYS A 72 14.012 21.860 -8.706 1.00 25.00 C ATOM 1033 CE LYS A 72 13.482 23.209 -9.114 1.00 25.00 C ATOM 1034 NZ LYS A 72 14.492 24.268 -9.169 1.00 25.00 N1+ ATOM 0 H LYS A 72 12.866 17.919 -9.247 1.00 25.00 H new ATOM 0 HA LYS A 72 10.421 19.461 -9.175 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.083 20.111 -10.504 1.00 25.00 H new ATOM 0 HB3 LYS A 72 11.796 21.243 -10.138 1.00 25.00 H new ATOM 0 HG2 LYS A 72 12.255 21.013 -7.724 1.00 25.00 H new ATOM 0 HG3 LYS A 72 13.509 19.836 -8.060 1.00 25.00 H new ATOM 0 HD2 LYS A 72 14.588 21.993 -7.790 1.00 25.00 H new ATOM 0 HD3 LYS A 72 14.709 21.530 -9.476 1.00 25.00 H new ATOM 0 HE2 LYS A 72 13.014 23.120 -10.094 1.00 25.00 H new ATOM 0 HE3 LYS A 72 12.701 23.505 -8.414 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 14.125 25.070 -9.720 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 14.716 24.585 -8.204 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 15.354 23.903 -9.622 1.00 25.00 H new ATOM 1048 N HIS A 73 10.014 19.700 -11.794 1.00 25.00 N ATOM 1049 CA HIS A 73 9.780 19.549 -13.264 1.00 25.00 C ATOM 1050 C HIS A 73 9.253 20.817 -13.940 1.00 25.00 C ATOM 1051 O HIS A 73 8.494 21.543 -13.293 1.00 25.00 O ATOM 1052 CB HIS A 73 8.835 18.347 -13.545 1.00 25.00 C ATOM 1053 CG HIS A 73 8.882 17.921 -15.001 1.00 25.00 C ATOM 1054 ND1 HIS A 73 9.830 17.068 -15.473 1.00 25.00 N ATOM 1055 CD2 HIS A 73 8.083 18.196 -16.112 1.00 25.00 C ATOM 1056 CE1 HIS A 73 9.615 16.845 -16.768 1.00 25.00 C ATOM 1057 NE2 HIS A 73 8.564 17.529 -17.194 1.00 25.00 N ATOM 0 H HIS A 73 9.437 20.392 -11.316 1.00 25.00 H new ATOM 0 HA HIS A 73 10.758 19.357 -13.706 1.00 25.00 H new ATOM 0 HB2 HIS A 73 9.118 17.507 -12.911 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.813 18.618 -13.278 1.00 25.00 H new ATOM 0 HD2 HIS A 73 7.216 18.840 -16.112 1.00 25.00 H new ATOM 0 HE1 HIS A 73 10.216 16.195 -17.387 1.00 25.00 H new ATOM 0 HE2 HIS A 73 8.191 17.551 -18.143 1.00 25.00 H new ATOM 1065 N ILE A 74 9.725 21.089 -15.146 1.00 25.00 N ATOM 1066 CA ILE A 74 9.222 22.283 -15.797 1.00 25.00 C ATOM 1067 C ILE A 74 7.998 21.870 -16.566 1.00 25.00 C ATOM 1068 O ILE A 74 8.131 20.902 -17.366 1.00 25.00 O ATOM 1069 CB ILE A 74 10.312 22.859 -16.705 1.00 25.00 C ATOM 1070 CG1 ILE A 74 11.634 23.147 -15.954 1.00 25.00 C ATOM 1071 CG2 ILE A 74 9.816 24.139 -17.472 1.00 25.00 C ATOM 1072 CD1 ILE A 74 12.883 23.457 -16.906 1.00 25.00 C ATOM 0 H ILE A 74 10.410 20.540 -15.665 1.00 25.00 H new ATOM 0 HA ILE A 74 8.957 23.066 -15.086 1.00 25.00 H new ATOM 0 HB ILE A 74 10.527 22.083 -17.440 1.00 25.00 H new ATOM 0 HG12 ILE A 74 11.481 23.996 -15.288 1.00 25.00 H new ATOM 0 HG13 ILE A 74 11.875 22.289 -15.327 1.00 25.00 H new ATOM 0 HG21 ILE A 74 10.618 24.517 -18.105 1.00 25.00 H new ATOM 0 HG22 ILE A 74 8.956 23.882 -18.090 1.00 25.00 H new ATOM 0 HG23 ILE A 74 9.529 24.906 -16.753 1.00 25.00 H new ATOM 0 HD11 ILE A 74 13.767 23.647 -16.297 1.00 25.00 H new ATOM 0 HD12 ILE A 74 13.067 22.601 -17.555 1.00 25.00 H new ATOM 0 HD13 ILE A 74 12.667 24.334 -17.515 1.00 25.00 H new ATOM 1084 N MET A 75 6.853 22.540 -16.451 1.00 25.00 N ATOM 1085 CA MET A 75 5.692 22.425 -17.401 1.00 25.00 C ATOM 1086 C MET A 75 5.120 23.839 -17.604 1.00 25.00 C ATOM 1087 O MET A 75 5.169 24.709 -16.737 1.00 25.00 O ATOM 1088 CB MET A 75 4.697 21.427 -16.828 1.00 25.00 C ATOM 1089 CG MET A 75 3.534 21.063 -17.740 1.00 25.00 C ATOM 1090 SD MET A 75 2.831 19.590 -17.012 1.00 25.00 S ATOM 1091 CE MET A 75 1.388 19.365 -18.040 1.00 25.00 C ATOM 0 H MET A 75 6.679 23.196 -15.689 1.00 25.00 H new ATOM 0 HA MET A 75 5.977 22.045 -18.382 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.233 20.514 -16.570 1.00 25.00 H new ATOM 0 HB3 MET A 75 4.295 21.834 -15.900 1.00 25.00 H new ATOM 0 HG2 MET A 75 2.802 21.869 -17.789 1.00 25.00 H new ATOM 0 HG3 MET A 75 3.873 20.878 -18.759 1.00 25.00 H new ATOM 0 HE1 MET A 75 0.660 18.746 -17.515 1.00 25.00 H new ATOM 0 HE2 MET A 75 0.945 20.336 -18.263 1.00 25.00 H new ATOM 0 HE3 MET A 75 1.677 18.876 -18.970 1.00 25.00 H new ATOM 1101 N THR A 76 4.421 24.086 -18.679 1.00 25.00 N ATOM 1102 CA THR A 76 3.715 25.343 -18.835 1.00 25.00 C ATOM 1103 C THR A 76 2.527 25.407 -17.789 1.00 25.00 C ATOM 1104 O THR A 76 2.035 24.455 -17.238 1.00 25.00 O ATOM 1105 CB THR A 76 3.038 25.410 -20.140 1.00 25.00 C ATOM 1106 OG1 THR A 76 2.462 24.124 -20.430 1.00 25.00 O ATOM 1107 CG2 THR A 76 4.038 25.729 -21.226 1.00 25.00 C ATOM 0 H THR A 76 4.321 23.440 -19.462 1.00 25.00 H new ATOM 0 HA THR A 76 4.451 26.138 -18.714 1.00 25.00 H new ATOM 0 HB THR A 76 2.271 26.184 -20.104 1.00 25.00 H new ATOM 0 HG1 THR A 76 2.007 24.158 -21.297 1.00 25.00 H new ATOM 0 HG21 THR A 76 3.528 25.776 -22.188 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.508 26.690 -21.017 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.801 24.951 -21.258 1.00 25.00 H new ATOM 1115 N GLY A 77 1.969 26.597 -17.515 1.00 25.00 N ATOM 1116 CA GLY A 77 0.664 26.616 -16.827 1.00 25.00 C ATOM 1117 C GLY A 77 -0.487 26.198 -17.709 1.00 25.00 C ATOM 1118 O GLY A 77 -0.382 25.405 -18.615 1.00 25.00 O ATOM 0 H GLY A 77 2.369 27.508 -17.741 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.708 25.954 -15.962 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.476 27.621 -16.449 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.663 26.651 -17.329 1.00 25.00 N ATOM 1123 CA GLY A 78 -2.898 26.112 -17.868 1.00 25.00 C ATOM 1124 C GLY A 78 -3.415 24.966 -17.029 1.00 25.00 C ATOM 1125 O GLY A 78 -2.909 24.738 -15.974 1.00 25.00 O ATOM 0 H GLY A 78 -1.792 27.396 -16.644 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.650 26.899 -17.914 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.732 25.770 -18.890 1.00 25.00 H new ATOM 1129 N GLU A 79 -4.448 24.266 -17.425 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.993 23.133 -16.657 1.00 25.00 C ATOM 1131 C GLU A 79 -4.019 21.928 -16.526 1.00 25.00 C ATOM 1132 O GLU A 79 -3.510 21.462 -17.535 1.00 25.00 O ATOM 1133 CB GLU A 79 -6.326 22.517 -17.158 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.544 23.383 -16.913 1.00 25.00 C ATOM 1135 CD GLU A 79 -8.840 22.592 -17.124 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -9.604 22.767 -18.101 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -9.004 21.634 -16.357 1.00 25.00 O1- ATOM 0 H GLU A 79 -4.950 24.453 -18.293 1.00 25.00 H new ATOM 0 HA GLU A 79 -5.165 23.637 -15.706 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -6.243 22.321 -18.227 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.475 21.555 -16.668 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -7.516 23.775 -15.896 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -7.525 24.240 -17.586 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.887 21.413 -15.321 1.00 25.00 N ATOM 1145 CA HIS A 80 -3.063 20.244 -15.016 1.00 25.00 C ATOM 1146 C HIS A 80 -3.977 19.210 -14.443 1.00 25.00 C ATOM 1147 O HIS A 80 -4.820 19.588 -13.655 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.935 20.633 -14.078 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.845 21.384 -14.711 1.00 25.00 C ATOM 1150 ND1 HIS A 80 0.503 21.118 -14.487 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.840 22.398 -15.594 1.00 25.00 C ATOM 1152 CE1 HIS A 80 1.241 21.917 -15.218 1.00 25.00 C ATOM 1153 NE2 HIS A 80 0.441 22.750 -15.880 1.00 25.00 N ATOM 0 H HIS A 80 -4.357 21.799 -14.502 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.579 19.837 -15.904 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -2.346 21.231 -13.265 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -1.523 19.728 -13.631 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -1.721 22.862 -16.013 1.00 25.00 H new ATOM 0 HE1 HIS A 80 2.319 21.902 -15.274 1.00 25.00 H new ATOM 0 HE2 HIS A 80 0.736 23.513 -16.490 1.00 25.00 H new ATOM 1161 N THR A 81 -3.929 17.962 -14.864 1.00 25.00 N ATOM 1162 CA THR A 81 -4.794 16.893 -14.349 1.00 25.00 C ATOM 1163 C THR A 81 -4.004 15.838 -13.646 1.00 25.00 C ATOM 1164 O THR A 81 -3.525 14.868 -14.275 1.00 25.00 O ATOM 1165 CB THR A 81 -5.702 16.389 -15.437 1.00 25.00 C ATOM 1166 OG1 THR A 81 -6.352 17.480 -16.049 1.00 25.00 O ATOM 1167 CG2 THR A 81 -6.828 15.535 -14.944 1.00 25.00 C ATOM 0 H THR A 81 -3.281 17.646 -15.585 1.00 25.00 H new ATOM 0 HA THR A 81 -5.451 17.294 -13.577 1.00 25.00 H new ATOM 0 HB THR A 81 -5.052 15.815 -16.097 1.00 25.00 H new ATOM 0 HG1 THR A 81 -6.943 17.152 -16.759 1.00 25.00 H new ATOM 0 HG21 THR A 81 -7.436 15.212 -15.789 1.00 25.00 H new ATOM 0 HG22 THR A 81 -6.425 14.661 -14.432 1.00 25.00 H new ATOM 0 HG23 THR A 81 -7.444 16.109 -14.252 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.799 16.004 -12.346 1.00 25.00 N ATOM 1176 CA PHE A 82 -3.007 15.110 -11.544 1.00 25.00 C ATOM 1177 C PHE A 82 -3.763 13.839 -11.295 1.00 25.00 C ATOM 1178 O PHE A 82 -4.886 13.847 -10.786 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.583 15.707 -10.196 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.698 16.901 -10.326 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.316 16.772 -10.473 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.314 18.125 -10.327 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.496 17.917 -10.489 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.554 19.269 -10.341 1.00 25.00 C ATOM 1185 CZ PHE A 82 -0.125 19.189 -10.416 1.00 25.00 C ATOM 0 H PHE A 82 -4.191 16.784 -11.818 1.00 25.00 H new ATOM 0 HA PHE A 82 -2.097 14.919 -12.114 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.475 15.985 -9.634 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -2.066 14.943 -9.616 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.128 15.793 -10.574 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.392 18.190 -10.317 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.570 17.831 -10.555 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -2.036 20.234 -10.295 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.472 20.089 -10.417 1.00 25.00 H new ATOM 1195 N THR A 83 -3.217 12.732 -11.778 1.00 25.00 N ATOM 1196 CA THR A 83 -3.881 11.453 -11.694 1.00 25.00 C ATOM 1197 C THR A 83 -2.905 10.540 -10.982 1.00 25.00 C ATOM 1198 O THR A 83 -1.677 10.644 -11.128 1.00 25.00 O ATOM 1199 CB THR A 83 -4.193 10.916 -13.100 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.986 11.891 -13.738 1.00 25.00 O ATOM 1201 CG2 THR A 83 -5.007 9.601 -13.014 1.00 25.00 C ATOM 0 H THR A 83 -2.306 12.702 -12.236 1.00 25.00 H new ATOM 0 HA THR A 83 -4.831 11.523 -11.164 1.00 25.00 H new ATOM 0 HB THR A 83 -3.268 10.715 -13.641 1.00 25.00 H new ATOM 0 HG1 THR A 83 -5.209 11.590 -14.644 1.00 25.00 H new ATOM 0 HG21 THR A 83 -5.218 9.237 -14.020 1.00 25.00 H new ATOM 0 HG22 THR A 83 -4.432 8.852 -12.470 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.945 9.787 -12.492 1.00 25.00 H new ATOM 1209 N TRP A 84 -3.487 9.666 -10.199 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.784 8.644 -9.465 1.00 25.00 C ATOM 1211 C TRP A 84 -3.519 7.413 -9.857 1.00 25.00 C ATOM 1212 O TRP A 84 -4.663 7.550 -10.328 1.00 25.00 O ATOM 1213 CB TRP A 84 -2.875 8.860 -7.993 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.609 9.369 -7.469 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -1.009 10.551 -7.856 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -0.678 8.754 -6.554 1.00 25.00 C ATOM 1217 NE1 TRP A 84 0.187 10.714 -7.207 1.00 25.00 N ATOM 1218 CE2 TRP A 84 0.457 9.576 -6.464 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -0.692 7.542 -5.823 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 1.593 9.175 -5.743 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 0.430 7.259 -4.933 1.00 25.00 C ATOM 1222 CH2 TRP A 84 1.501 8.104 -4.904 1.00 25.00 C ATOM 0 H TRP A 84 -4.496 9.646 -10.050 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.717 8.618 -9.685 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -3.676 9.565 -7.772 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -3.130 7.923 -7.497 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -1.424 11.248 -8.569 1.00 25.00 H new ATOM 0 HE1 TRP A 84 0.783 11.540 -7.262 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -1.511 6.845 -5.921 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 2.526 9.707 -5.851 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 0.412 6.384 -4.300 1.00 25.00 H new ATOM 0 HH2 TRP A 84 2.297 7.920 -4.198 1.00 25.00 H new ATOM 1233 N THR A 85 -2.854 6.302 -9.684 1.00 25.00 N ATOM 1234 CA THR A 85 -3.480 4.991 -9.729 1.00 25.00 C ATOM 1235 C THR A 85 -2.967 4.186 -8.573 1.00 25.00 C ATOM 1236 O THR A 85 -1.975 4.515 -7.941 1.00 25.00 O ATOM 1237 CB THR A 85 -3.138 4.231 -11.041 1.00 25.00 C ATOM 1238 OG1 THR A 85 -1.718 4.335 -11.369 1.00 25.00 O ATOM 1239 CG2 THR A 85 -3.942 4.741 -12.167 1.00 25.00 C ATOM 0 H THR A 85 -1.850 6.273 -9.505 1.00 25.00 H new ATOM 0 HA THR A 85 -4.561 5.126 -9.683 1.00 25.00 H new ATOM 0 HB THR A 85 -3.377 3.181 -10.874 1.00 25.00 H new ATOM 0 HG1 THR A 85 -1.615 4.489 -12.331 1.00 25.00 H new ATOM 0 HG21 THR A 85 -3.685 4.194 -13.074 1.00 25.00 H new ATOM 0 HG22 THR A 85 -5.001 4.605 -11.949 1.00 25.00 H new ATOM 0 HG23 THR A 85 -3.734 5.801 -12.311 1.00 25.00 H new ATOM 1247 N TYR A 86 -3.654 3.090 -8.220 1.00 25.00 N ATOM 1248 CA TYR A 86 -3.173 1.978 -7.342 1.00 25.00 C ATOM 1249 C TYR A 86 -3.497 0.835 -8.305 1.00 25.00 C ATOM 1250 O TYR A 86 -4.503 0.966 -9.042 1.00 25.00 O ATOM 1251 CB TYR A 86 -4.067 1.921 -6.126 1.00 25.00 C ATOM 1252 CG TYR A 86 -3.806 3.073 -5.128 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -4.330 4.381 -5.347 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -3.134 2.842 -3.875 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -4.220 5.428 -4.421 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -3.017 3.906 -2.875 1.00 25.00 C ATOM 1257 CZ TYR A 86 -3.551 5.151 -3.158 1.00 25.00 C ATOM 1258 OH TYR A 86 -3.525 6.163 -2.200 1.00 25.00 O ATOM 0 H TYR A 86 -4.607 2.933 -8.547 1.00 25.00 H new ATOM 0 HA TYR A 86 -2.150 2.016 -6.968 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -5.108 1.954 -6.446 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.920 0.968 -5.618 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -4.840 4.576 -6.279 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -2.710 1.870 -3.670 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -4.619 6.408 -4.638 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -2.522 3.722 -1.933 1.00 25.00 H new ATOM 0 HH TYR A 86 -3.049 5.847 -1.404 1.00 25.00 H new ATOM 1268 N THR A 87 -2.617 -0.182 -8.465 1.00 25.00 N ATOM 1269 CA THR A 87 -2.839 -1.037 -9.603 1.00 25.00 C ATOM 1270 C THR A 87 -4.038 -1.904 -9.240 1.00 25.00 C ATOM 1271 O THR A 87 -4.710 -2.370 -10.139 1.00 25.00 O ATOM 1272 CB THR A 87 -1.712 -2.009 -10.023 1.00 25.00 C ATOM 1273 OG1 THR A 87 -1.999 -2.683 -11.258 1.00 25.00 O ATOM 1274 CG2 THR A 87 -1.269 -3.038 -9.042 1.00 25.00 C ATOM 0 H THR A 87 -1.820 -0.402 -7.867 1.00 25.00 H new ATOM 0 HA THR A 87 -2.946 -0.360 -10.451 1.00 25.00 H new ATOM 0 HB THR A 87 -0.881 -1.309 -10.116 1.00 25.00 H new ATOM 0 HG1 THR A 87 -2.966 -2.823 -11.337 1.00 25.00 H new ATOM 0 HG21 THR A 87 -0.475 -3.642 -9.482 1.00 25.00 H new ATOM 0 HG22 THR A 87 -0.896 -2.547 -8.143 1.00 25.00 H new ATOM 0 HG23 THR A 87 -2.111 -3.680 -8.782 1.00 25.00 H new ATOM 1282 N ALA A 88 -4.396 -2.084 -7.988 1.00 25.00 N ATOM 1283 CA ALA A 88 -5.636 -2.755 -7.585 1.00 25.00 C ATOM 1284 C ALA A 88 -6.244 -1.772 -6.540 1.00 25.00 C ATOM 1285 O ALA A 88 -5.477 -0.946 -6.086 1.00 25.00 O ATOM 1286 CB ALA A 88 -5.269 -4.174 -7.030 1.00 25.00 C ATOM 0 H ALA A 88 -3.832 -1.767 -7.200 1.00 25.00 H new ATOM 0 HA ALA A 88 -6.362 -2.948 -8.375 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -6.178 -4.691 -6.724 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -4.768 -4.750 -7.808 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -4.605 -4.069 -6.172 1.00 25.00 H new ATOM 1292 N PRO A 89 -7.585 -1.817 -6.287 1.00 25.00 N ATOM 1293 CA PRO A 89 -7.958 -0.733 -5.384 1.00 25.00 C ATOM 1294 C PRO A 89 -7.528 -1.017 -3.932 1.00 25.00 C ATOM 1295 O PRO A 89 -7.512 -2.127 -3.474 1.00 25.00 O ATOM 1296 CB PRO A 89 -9.471 -0.581 -5.571 1.00 25.00 C ATOM 1297 CG PRO A 89 -9.876 -2.049 -5.883 1.00 25.00 C ATOM 1298 CD PRO A 89 -8.730 -2.590 -6.769 1.00 25.00 C ATOM 0 HA PRO A 89 -7.446 0.202 -5.612 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -9.961 -0.199 -4.676 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -9.720 0.098 -6.386 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -9.981 -2.634 -4.969 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -10.833 -2.094 -6.402 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -8.583 -3.662 -6.638 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -8.919 -2.422 -7.829 1.00 25.00 H new ATOM 1306 N HIS A 90 -7.119 0.063 -3.283 1.00 25.00 N ATOM 1307 CA HIS A 90 -6.708 0.058 -1.856 1.00 25.00 C ATOM 1308 C HIS A 90 -7.715 1.005 -1.149 1.00 25.00 C ATOM 1309 O HIS A 90 -8.156 2.020 -1.710 1.00 25.00 O ATOM 1310 CB HIS A 90 -5.268 0.565 -1.672 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.181 -0.330 -2.235 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.165 -0.757 -3.532 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.066 -0.862 -1.701 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -3.063 -1.576 -3.670 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.350 -1.636 -2.611 1.00 0.00 N ATOM 0 H HIS A 90 -7.057 0.982 -3.720 1.00 25.00 H new ATOM 0 HA HIS A 90 -6.720 -0.951 -1.443 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.185 1.546 -2.140 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.084 0.704 -0.607 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.839 -0.517 -4.259 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.760 -0.706 -0.677 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.828 -2.111 -4.578 1.00 0.00 H new ATOM 1323 N ASN A 91 -7.959 0.789 0.122 1.00 25.00 N ATOM 1324 CA ASN A 91 -8.842 1.635 0.909 1.00 25.00 C ATOM 1325 C ASN A 91 -8.285 3.055 1.244 1.00 25.00 C ATOM 1326 O ASN A 91 -7.072 3.275 1.263 1.00 25.00 O ATOM 1327 CB ASN A 91 -9.110 0.808 2.196 1.00 25.00 C ATOM 1328 CG ASN A 91 -9.907 -0.446 1.945 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -10.270 -0.781 0.809 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -10.268 -1.154 3.047 1.00 25.00 N ATOM 0 H ASN A 91 -7.550 0.017 0.648 1.00 25.00 H new ATOM 0 HA ASN A 91 -9.741 1.868 0.339 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -8.157 0.539 2.651 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -9.643 1.431 2.915 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -10.852 -1.984 2.951 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -9.955 -0.855 3.970 1.00 25.00 H new ATOM 1337 N THR A 92 -9.171 3.946 1.587 1.00 25.00 N ATOM 1338 CA THR A 92 -8.942 5.314 1.995 1.00 25.00 C ATOM 1339 C THR A 92 -10.049 5.873 2.910 1.00 25.00 C ATOM 1340 O THR A 92 -11.200 5.558 2.709 1.00 25.00 O ATOM 1341 CB THR A 92 -8.854 6.221 0.724 1.00 25.00 C ATOM 1342 OG1 THR A 92 -9.128 5.481 -0.482 1.00 25.00 O ATOM 1343 CG2 THR A 92 -7.566 6.962 0.689 1.00 25.00 C ATOM 0 H THR A 92 -10.165 3.718 1.590 1.00 25.00 H new ATOM 0 HA THR A 92 -8.012 5.318 2.563 1.00 25.00 H new ATOM 0 HB THR A 92 -9.639 6.974 0.784 1.00 25.00 H new ATOM 0 HG1 THR A 92 -9.066 6.080 -1.255 1.00 25.00 H new ATOM 0 HG21 THR A 92 -7.529 7.586 -0.204 1.00 25.00 H new ATOM 0 HG22 THR A 92 -7.484 7.592 1.575 1.00 25.00 H new ATOM 0 HG23 THR A 92 -6.739 6.253 0.671 1.00 25.00 H new ATOM 1351 N SER A 93 -9.691 6.749 3.835 1.00 25.00 N ATOM 1352 CA SER A 93 -10.686 7.539 4.600 1.00 25.00 C ATOM 1353 C SER A 93 -10.735 9.031 4.233 1.00 25.00 C ATOM 1354 O SER A 93 -11.836 9.639 4.304 1.00 25.00 O ATOM 1355 CB SER A 93 -10.287 7.535 6.096 1.00 25.00 C ATOM 1356 OG SER A 93 -8.921 7.692 6.331 1.00 25.00 O ATOM 0 H SER A 93 -8.722 6.943 4.086 1.00 25.00 H new ATOM 0 HA SER A 93 -11.645 7.073 4.374 1.00 25.00 H new ATOM 0 HB2 SER A 93 -10.825 8.335 6.604 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.614 6.597 6.544 1.00 25.00 H new ATOM 0 HG SER A 93 -8.752 7.680 7.296 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.607 9.600 3.760 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.612 10.993 3.238 1.00 25.00 C ATOM 1364 C GLN A 94 -8.235 11.182 2.697 1.00 25.00 C ATOM 1365 O GLN A 94 -7.320 10.391 2.986 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.950 12.025 4.307 1.00 25.00 C ATOM 1367 CG GLN A 94 -8.981 12.098 5.403 1.00 25.00 C ATOM 1368 CD GLN A 94 -9.446 12.985 6.549 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -9.819 14.141 6.377 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -9.242 12.486 7.741 1.00 25.00 N ATOM 0 H GLN A 94 -8.700 9.135 3.726 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.384 11.138 2.482 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.024 13.006 3.838 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -10.932 11.794 4.721 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -8.793 11.093 5.782 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -8.034 12.477 5.019 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -8.932 11.520 7.843 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -9.393 13.063 8.568 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.002 12.316 2.046 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.627 12.814 1.776 1.00 25.00 C ATOM 1381 C TRP A 95 -6.666 14.346 1.648 1.00 25.00 C ATOM 1382 O TRP A 95 -7.742 14.935 1.496 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.061 12.188 0.557 1.00 25.00 C ATOM 1384 CG TRP A 95 -6.859 12.344 -0.681 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -6.812 13.416 -1.519 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.619 11.401 -1.364 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -7.405 13.154 -2.700 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -7.941 11.913 -2.624 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -8.031 10.077 -1.053 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.475 11.096 -3.673 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -8.615 9.262 -2.068 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -8.835 9.794 -3.366 1.00 25.00 C ATOM 0 H TRP A 95 -8.740 12.922 1.688 1.00 25.00 H new ATOM 0 HA TRP A 95 -5.976 12.540 2.606 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.070 12.608 0.383 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -5.927 11.123 0.748 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -6.355 14.362 -1.268 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -7.443 13.778 -3.506 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -7.903 9.690 -0.053 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -8.593 11.484 -4.674 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -8.890 8.241 -1.849 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -9.290 9.175 -4.125 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.520 14.988 1.620 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.407 16.422 1.718 1.00 25.00 C ATOM 1405 C HIS A 96 -4.245 16.830 0.836 1.00 25.00 C ATOM 1406 O HIS A 96 -3.380 15.993 0.730 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.059 16.864 3.180 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.631 16.007 4.262 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.699 16.361 5.023 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.239 14.825 4.784 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -6.951 15.443 5.960 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.110 14.484 5.824 1.00 25.00 N ATOM 0 H HIS A 96 -4.621 14.515 1.526 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.351 16.881 1.425 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -3.974 16.880 3.288 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.409 17.886 3.326 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.393 14.240 4.453 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.730 15.499 6.705 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.082 13.626 6.375 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.209 18.034 0.268 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.053 18.429 -0.535 1.00 25.00 C ATOM 1422 C TYR A 97 -2.887 19.955 -0.639 1.00 25.00 C ATOM 1423 O TYR A 97 -3.798 20.757 -0.572 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.119 17.841 -1.922 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.528 17.843 -2.547 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -4.914 18.849 -3.436 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -5.383 16.766 -2.346 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.269 18.909 -4.007 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -6.704 16.750 -2.953 1.00 25.00 C ATOM 1430 CZ TYR A 97 -7.101 17.836 -3.736 1.00 25.00 C ATOM 1431 OH TYR A 97 -8.361 17.899 -4.179 1.00 25.00 O ATOM 0 H TYR A 97 -4.945 18.736 0.345 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.184 18.032 -0.011 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.445 18.399 -2.573 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.752 16.815 -1.887 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.196 19.606 -3.713 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -5.064 15.935 -1.735 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -6.597 19.746 -4.606 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -7.368 15.912 -2.801 1.00 25.00 H new ATOM 0 HH TYR A 97 -8.580 17.074 -4.660 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.620 20.366 -0.716 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.204 21.728 -0.464 1.00 25.00 C ATOM 1443 C TYR A 98 -0.301 22.144 -1.589 1.00 25.00 C ATOM 1444 O TYR A 98 0.274 21.250 -2.348 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.360 21.714 0.788 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.053 21.130 2.011 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.125 19.739 2.150 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -1.590 21.938 2.991 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -1.810 19.146 3.255 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -2.309 21.337 4.065 1.00 25.00 C ATOM 1451 CZ TYR A 98 -2.430 19.941 4.219 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.102 19.283 5.213 1.00 25.00 O ATOM 0 H TYR A 98 -0.849 19.744 -0.960 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.064 22.392 -0.371 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.547 21.142 0.593 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.051 22.735 1.014 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -0.656 19.105 1.412 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -1.468 23.010 2.945 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -1.848 18.070 3.345 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -2.782 21.980 4.793 1.00 25.00 H new ATOM 0 HH TYR A 98 -3.494 19.935 5.830 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.058 23.443 -1.708 1.00 25.00 N ATOM 1463 CA ILE A 99 1.075 24.015 -2.457 1.00 25.00 C ATOM 1464 C ILE A 99 1.731 24.925 -1.372 1.00 25.00 C ATOM 1465 O ILE A 99 1.166 25.391 -0.425 1.00 25.00 O ATOM 1466 CB ILE A 99 0.705 24.834 -3.821 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.244 26.025 -3.527 1.00 25.00 C ATOM 1468 CG2 ILE A 99 -0.001 23.909 -4.811 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.256 27.063 -4.622 1.00 25.00 C ATOM 0 H ILE A 99 -0.652 24.153 -1.279 1.00 25.00 H new ATOM 0 HA ILE A 99 1.718 23.237 -2.869 1.00 25.00 H new ATOM 0 HB ILE A 99 1.641 25.208 -4.237 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.256 25.647 -3.383 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.056 26.497 -2.592 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.244 24.464 -5.717 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.655 23.075 -5.061 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.918 23.528 -4.362 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -0.940 27.868 -4.353 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.748 27.468 -4.751 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -0.585 26.604 -5.555 1.00 25.00 H new ATOM 1481 N THR A 100 2.973 25.190 -1.573 1.00 25.00 N ATOM 1482 CA THR A 100 3.645 26.214 -0.761 1.00 25.00 C ATOM 1483 C THR A 100 3.176 27.576 -1.306 1.00 25.00 C ATOM 1484 O THR A 100 2.812 27.679 -2.518 1.00 25.00 O ATOM 1485 CB THR A 100 5.158 26.132 -0.794 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.575 26.115 -2.178 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.615 24.900 -0.006 1.00 25.00 C ATOM 0 H THR A 100 3.560 24.736 -2.273 1.00 25.00 H new ATOM 0 HA THR A 100 3.378 26.064 0.285 1.00 25.00 H new ATOM 0 HB THR A 100 5.624 26.994 -0.317 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.548 26.225 -2.228 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.703 24.837 -0.027 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.276 24.983 1.027 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.191 24.002 -0.456 1.00 25.00 H new ATOM 1495 N LYS A 101 3.103 28.623 -0.483 1.00 25.00 N ATOM 1496 CA LYS A 101 2.612 29.894 -0.894 1.00 25.00 C ATOM 1497 C LYS A 101 3.436 30.982 -0.181 1.00 25.00 C ATOM 1498 O LYS A 101 2.946 31.663 0.758 1.00 25.00 O ATOM 1499 CB LYS A 101 1.193 29.965 -0.494 1.00 25.00 C ATOM 1500 CG LYS A 101 0.489 31.150 -1.115 1.00 25.00 C ATOM 1501 CD LYS A 101 -0.885 31.322 -0.582 1.00 25.00 C ATOM 1502 CE LYS A 101 -1.718 32.418 -1.315 1.00 25.00 C ATOM 1503 NZ LYS A 101 -3.078 32.669 -0.702 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.392 28.589 0.495 1.00 25.00 H new ATOM 0 HA LYS A 101 2.698 30.040 -1.971 1.00 25.00 H new ATOM 0 HB2 LYS A 101 0.686 29.046 -0.790 1.00 25.00 H new ATOM 0 HB3 LYS A 101 1.125 30.031 0.592 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.067 32.055 -0.926 1.00 25.00 H new ATOM 0 HG3 LYS A 101 0.445 31.020 -2.196 1.00 25.00 H new ATOM 0 HD2 LYS A 101 -1.413 30.371 -0.653 1.00 25.00 H new ATOM 0 HD3 LYS A 101 -0.824 31.574 0.477 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -1.153 33.350 -1.315 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -1.849 32.125 -2.357 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -3.788 32.757 -1.457 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -3.331 31.874 -0.080 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -3.052 33.548 -0.147 1.00 25.00 H new ATOM 1517 N LYS A 102 4.617 31.157 -0.707 1.00 25.00 N ATOM 1518 CA LYS A 102 5.492 32.252 -0.425 1.00 25.00 C ATOM 1519 C LYS A 102 4.843 33.620 -0.695 1.00 25.00 C ATOM 1520 O LYS A 102 3.953 33.691 -1.563 1.00 25.00 O ATOM 1521 CB LYS A 102 6.777 32.072 -1.207 1.00 25.00 C ATOM 1522 CG LYS A 102 6.580 32.175 -2.716 1.00 25.00 C ATOM 1523 CD LYS A 102 7.856 31.800 -3.339 1.00 25.00 C ATOM 1524 CE LYS A 102 7.727 31.442 -4.764 1.00 25.00 C ATOM 1525 NZ LYS A 102 8.872 30.934 -5.436 1.00 25.00 N1+ ATOM 0 H LYS A 102 5.013 30.501 -1.380 1.00 25.00 H new ATOM 0 HA LYS A 102 5.715 32.246 0.642 1.00 25.00 H new ATOM 0 HB2 LYS A 102 7.497 32.826 -0.889 1.00 25.00 H new ATOM 0 HB3 LYS A 102 7.207 31.099 -0.969 1.00 25.00 H new ATOM 0 HG2 LYS A 102 5.779 31.513 -3.047 1.00 25.00 H new ATOM 0 HG3 LYS A 102 6.294 33.188 -3.000 1.00 25.00 H new ATOM 0 HD2 LYS A 102 8.557 32.629 -3.242 1.00 25.00 H new ATOM 0 HD3 LYS A 102 8.283 30.956 -2.797 1.00 25.00 H new ATOM 0 HE2 LYS A 102 6.934 30.699 -4.850 1.00 25.00 H new ATOM 0 HE3 LYS A 102 7.392 32.329 -5.301 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 8.630 30.728 -6.426 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 9.634 31.641 -5.405 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 9.190 30.061 -4.969 1.00 25.00 H new ATOM 1539 N GLY A 103 5.289 34.655 -0.010 1.00 25.00 N ATOM 1540 CA GLY A 103 4.782 36.012 -0.210 1.00 25.00 C ATOM 1541 C GLY A 103 3.455 36.180 0.522 1.00 25.00 C ATOM 1542 O GLY A 103 2.683 37.027 0.081 1.00 25.00 O ATOM 0 H GLY A 103 6.014 34.586 0.704 1.00 25.00 H new ATOM 0 HA2 GLY A 103 5.506 36.739 0.159 1.00 25.00 H new ATOM 0 HA3 GLY A 103 4.648 36.207 -1.274 1.00 25.00 H new ATOM 1546 N TRP A 104 3.373 35.579 1.677 1.00 25.00 N ATOM 1547 CA TRP A 104 2.340 35.911 2.667 1.00 25.00 C ATOM 1548 C TRP A 104 2.507 37.352 3.173 1.00 25.00 C ATOM 1549 O TRP A 104 3.608 37.930 3.128 1.00 25.00 O ATOM 1550 CB TRP A 104 2.513 34.962 3.877 1.00 25.00 C ATOM 1551 CG TRP A 104 3.951 34.928 4.350 1.00 25.00 C ATOM 1552 CD1 TRP A 104 4.653 35.838 5.115 1.00 25.00 C ATOM 1553 CD2 TRP A 104 4.927 33.837 4.138 1.00 25.00 C ATOM 1554 NE1 TRP A 104 5.904 35.451 5.315 1.00 25.00 N ATOM 1555 CE2 TRP A 104 6.157 34.275 4.629 1.00 25.00 C ATOM 1556 CE3 TRP A 104 4.845 32.536 3.592 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 7.382 33.493 4.499 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 6.038 31.731 3.500 1.00 25.00 C ATOM 1559 CH2 TRP A 104 7.306 32.243 3.963 1.00 25.00 C ATOM 0 H TRP A 104 4.012 34.842 1.975 1.00 25.00 H new ATOM 0 HA TRP A 104 1.359 35.806 2.203 1.00 25.00 H new ATOM 0 HB2 TRP A 104 1.868 35.288 4.693 1.00 25.00 H new ATOM 0 HB3 TRP A 104 2.195 33.957 3.601 1.00 25.00 H new ATOM 0 HD1 TRP A 104 4.233 36.754 5.503 1.00 25.00 H new ATOM 0 HE1 TRP A 104 6.583 35.948 5.891 1.00 25.00 H new ATOM 0 HE3 TRP A 104 3.898 32.148 3.247 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 8.330 33.897 4.821 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 5.982 30.737 3.081 1.00 25.00 H new ATOM 0 HH2 TRP A 104 8.195 31.635 3.884 1.00 25.00 H new ATOM 1570 N ASP A 105 1.416 37.913 3.680 1.00 25.00 N ATOM 1571 CA ASP A 105 1.431 39.048 4.588 1.00 25.00 C ATOM 1572 C ASP A 105 2.243 38.649 5.851 1.00 25.00 C ATOM 1573 O ASP A 105 2.056 37.563 6.401 1.00 25.00 O ATOM 1574 CB ASP A 105 -0.005 39.480 4.967 1.00 25.00 C ATOM 1575 CG ASP A 105 -0.056 40.649 5.976 1.00 25.00 C ATOM 1576 OD1 ASP A 105 0.330 40.523 7.163 1.00 25.00 O ATOM 1577 OD2 ASP A 105 -0.484 41.712 5.573 1.00 25.00 O1- ATOM 0 H ASP A 105 0.476 37.582 3.465 1.00 25.00 H new ATOM 0 HA ASP A 105 1.900 39.902 4.100 1.00 25.00 H new ATOM 0 HB2 ASP A 105 -0.539 39.770 4.062 1.00 25.00 H new ATOM 0 HB3 ASP A 105 -0.533 38.625 5.388 1.00 25.00 H new ATOM 1582 N PRO A 106 3.160 39.501 6.330 1.00 25.00 N ATOM 1583 CA PRO A 106 4.046 39.030 7.443 1.00 25.00 C ATOM 1584 C PRO A 106 3.377 38.548 8.710 1.00 25.00 C ATOM 1585 O PRO A 106 3.918 37.664 9.383 1.00 25.00 O ATOM 1586 CB PRO A 106 4.932 40.228 7.729 1.00 25.00 C ATOM 1587 CG PRO A 106 4.972 40.983 6.437 1.00 25.00 C ATOM 1588 CD PRO A 106 3.546 40.859 5.859 1.00 25.00 C ATOM 0 HA PRO A 106 4.563 38.128 7.117 1.00 25.00 H new ATOM 0 HB2 PRO A 106 4.524 40.840 8.534 1.00 25.00 H new ATOM 0 HB3 PRO A 106 5.930 39.918 8.039 1.00 25.00 H new ATOM 0 HG2 PRO A 106 5.244 42.026 6.598 1.00 25.00 H new ATOM 0 HG3 PRO A 106 5.712 40.562 5.756 1.00 25.00 H new ATOM 0 HD2 PRO A 106 2.879 41.632 6.240 1.00 25.00 H new ATOM 0 HD3 PRO A 106 3.535 40.936 4.772 1.00 25.00 H new ATOM 1596 N ASP A 107 2.278 39.194 9.074 1.00 25.00 N ATOM 1597 CA ASP A 107 1.578 38.808 10.319 1.00 25.00 C ATOM 1598 C ASP A 107 1.026 37.378 10.390 1.00 25.00 C ATOM 1599 O ASP A 107 0.831 36.740 11.467 1.00 25.00 O ATOM 1600 CB ASP A 107 0.352 39.720 10.453 1.00 25.00 C ATOM 1601 CG ASP A 107 -0.418 39.501 11.744 1.00 25.00 C ATOM 1602 OD1 ASP A 107 -1.597 39.135 11.584 1.00 75.00 O ATOM 1603 OD2 ASP A 107 0.103 39.627 12.878 1.00 75.00 O1- ATOM 0 H ASP A 107 1.853 39.963 8.555 1.00 25.00 H new ATOM 0 HA ASP A 107 2.334 38.892 11.099 1.00 25.00 H new ATOM 0 HB2 ASP A 107 0.674 40.760 10.401 1.00 25.00 H new ATOM 0 HB3 ASP A 107 -0.314 39.550 9.607 1.00 25.00 H new ATOM 1608 N LYS A 108 0.879 36.811 9.187 1.00 25.00 N ATOM 1609 CA LYS A 108 0.238 35.496 8.971 1.00 25.00 C ATOM 1610 C LYS A 108 0.964 34.424 9.757 1.00 25.00 C ATOM 1611 O LYS A 108 2.122 34.578 10.052 1.00 25.00 O ATOM 1612 CB LYS A 108 0.149 35.210 7.497 1.00 25.00 C ATOM 1613 CG LYS A 108 -1.072 35.855 6.867 1.00 25.00 C ATOM 1614 CD LYS A 108 -1.159 35.675 5.356 1.00 25.00 C ATOM 1615 CE LYS A 108 -2.553 35.947 4.848 1.00 25.00 C ATOM 1616 NZ LYS A 108 -2.811 35.791 3.393 1.00 25.00 N1+ ATOM 0 H LYS A 108 1.202 37.250 8.325 1.00 25.00 H new ATOM 0 HA LYS A 108 -0.785 35.506 9.348 1.00 25.00 H new ATOM 0 HB2 LYS A 108 1.049 35.575 7.002 1.00 25.00 H new ATOM 0 HB3 LYS A 108 0.113 34.132 7.338 1.00 25.00 H new ATOM 0 HG2 LYS A 108 -1.968 35.436 7.325 1.00 25.00 H new ATOM 0 HG3 LYS A 108 -1.066 36.921 7.096 1.00 25.00 H new ATOM 0 HD2 LYS A 108 -0.454 36.348 4.867 1.00 25.00 H new ATOM 0 HD3 LYS A 108 -0.866 34.659 5.092 1.00 25.00 H new ATOM 0 HE2 LYS A 108 -3.237 35.286 5.381 1.00 25.00 H new ATOM 0 HE3 LYS A 108 -2.816 36.968 5.126 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 -3.808 36.010 3.192 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 -2.199 36.442 2.860 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 -2.607 34.812 3.107 1.00 25.00 H new ATOM 1630 N PRO A 109 0.319 33.267 10.046 1.00 25.00 N ATOM 1631 CA PRO A 109 0.873 32.090 10.723 1.00 25.00 C ATOM 1632 C PRO A 109 2.144 31.351 10.302 1.00 25.00 C ATOM 1633 O PRO A 109 2.351 30.209 10.576 1.00 25.00 O ATOM 1634 CB PRO A 109 -0.251 31.105 10.727 1.00 25.00 C ATOM 1635 CG PRO A 109 -1.413 31.855 10.730 1.00 25.00 C ATOM 1636 CD PRO A 109 -1.088 32.930 9.757 1.00 25.00 C ATOM 0 HA PRO A 109 1.251 32.519 11.651 1.00 25.00 H new ATOM 0 HB2 PRO A 109 -0.206 30.458 9.851 1.00 25.00 H new ATOM 0 HB3 PRO A 109 -0.201 30.459 11.603 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -2.278 31.269 10.418 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -1.639 32.254 11.719 1.00 25.00 H new ATOM 0 HD2 PRO A 109 -1.213 32.588 8.730 1.00 25.00 H new ATOM 0 HD3 PRO A 109 -1.739 33.794 9.886 1.00 25.00 H new ATOM 1644 N LEU A 110 3.028 32.064 9.585 1.00 25.00 N ATOM 1645 CA LEU A 110 4.384 31.716 9.093 1.00 25.00 C ATOM 1646 C LEU A 110 4.962 30.335 9.035 1.00 25.00 C ATOM 1647 O LEU A 110 5.249 29.915 7.913 1.00 25.00 O ATOM 1648 CB LEU A 110 5.315 32.609 9.946 1.00 25.00 C ATOM 1649 CG LEU A 110 6.729 32.953 9.411 1.00 25.00 C ATOM 1650 CD1 LEU A 110 6.762 33.699 8.111 1.00 50.00 C ATOM 1651 CD2 LEU A 110 7.445 33.884 10.410 1.00 50.00 C ATOM 0 H LEU A 110 2.786 33.013 9.299 1.00 25.00 H new ATOM 0 HA LEU A 110 4.290 31.856 8.016 1.00 25.00 H new ATOM 0 HB2 LEU A 110 4.794 33.549 10.125 1.00 25.00 H new ATOM 0 HB3 LEU A 110 5.439 32.124 10.914 1.00 25.00 H new ATOM 0 HG LEU A 110 7.200 31.980 9.272 1.00 25.00 H new ATOM 0 HD11 LEU A 110 7.797 33.889 7.827 1.00 50.00 H new ATOM 0 HD12 LEU A 110 6.277 33.104 7.337 1.00 50.00 H new ATOM 0 HD13 LEU A 110 6.236 34.647 8.222 1.00 50.00 H new ATOM 0 HD21 LEU A 110 8.439 34.126 10.034 1.00 50.00 H new ATOM 0 HD22 LEU A 110 6.869 34.802 10.529 1.00 50.00 H new ATOM 0 HD23 LEU A 110 7.534 33.384 11.374 1.00 50.00 H new ATOM 1663 N LYS A 111 5.043 29.585 10.136 1.00 25.00 N ATOM 1664 CA LYS A 111 5.541 28.166 10.016 1.00 25.00 C ATOM 1665 C LYS A 111 4.457 27.378 9.265 1.00 25.00 C ATOM 1666 O LYS A 111 4.708 26.483 8.490 1.00 25.00 O ATOM 1667 CB LYS A 111 5.718 27.584 11.428 1.00 25.00 C ATOM 1668 CG LYS A 111 6.605 28.504 12.293 1.00 25.00 C ATOM 1669 CD LYS A 111 7.046 27.959 13.689 1.00 25.00 C ATOM 1670 CE LYS A 111 7.731 29.096 14.449 1.00 25.00 C ATOM 1671 NZ LYS A 111 8.092 28.782 15.854 1.00 25.00 N1+ ATOM 0 H LYS A 111 4.793 29.889 11.077 1.00 25.00 H new ATOM 0 HA LYS A 111 6.494 28.115 9.489 1.00 25.00 H new ATOM 0 HB2 LYS A 111 4.743 27.462 11.901 1.00 25.00 H new ATOM 0 HB3 LYS A 111 6.168 26.593 11.364 1.00 25.00 H new ATOM 0 HG2 LYS A 111 7.503 28.741 11.723 1.00 25.00 H new ATOM 0 HG3 LYS A 111 6.070 29.441 12.449 1.00 25.00 H new ATOM 0 HD2 LYS A 111 6.182 27.595 14.246 1.00 25.00 H new ATOM 0 HD3 LYS A 111 7.727 27.116 13.571 1.00 25.00 H new ATOM 0 HE2 LYS A 111 8.636 29.379 13.911 1.00 25.00 H new ATOM 0 HE3 LYS A 111 7.073 29.965 14.444 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 8.550 29.609 16.288 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 7.232 28.542 16.388 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 8.747 27.975 15.872 1.00 25.00 H new ATOM 1685 N ARG A 112 3.247 27.811 9.488 1.00 25.00 N ATOM 1686 CA ARG A 112 2.063 27.198 8.960 1.00 25.00 C ATOM 1687 C ARG A 112 1.611 27.914 7.687 1.00 25.00 C ATOM 1688 O ARG A 112 1.358 27.278 6.651 1.00 25.00 O ATOM 1689 CB ARG A 112 0.911 27.288 9.986 1.00 25.00 C ATOM 1690 CG ARG A 112 0.199 25.942 10.188 1.00 25.00 C ATOM 1691 CD ARG A 112 -1.128 26.162 10.894 1.00 25.00 C ATOM 1692 NE ARG A 112 -1.940 24.934 10.871 1.00 25.00 N ATOM 1693 CZ ARG A 112 -1.750 23.833 11.616 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -0.803 23.708 12.486 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -2.536 22.827 11.376 1.00 25.00 N ATOM 0 H ARG A 112 3.053 28.630 10.064 1.00 25.00 H new ATOM 0 HA ARG A 112 2.298 26.156 8.742 1.00 25.00 H new ATOM 0 HB2 ARG A 112 1.305 27.634 10.941 1.00 25.00 H new ATOM 0 HB3 ARG A 112 0.188 28.032 9.652 1.00 25.00 H new ATOM 0 HG2 ARG A 112 0.033 25.460 9.225 1.00 25.00 H new ATOM 0 HG3 ARG A 112 0.827 25.273 10.776 1.00 25.00 H new ATOM 0 HD2 ARG A 112 -0.951 26.467 11.925 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -1.673 26.973 10.411 1.00 25.00 H new ATOM 0 HE ARG A 112 -2.727 24.918 10.223 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -0.146 24.473 12.638 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -0.713 22.844 13.021 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -3.251 22.900 10.652 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -2.438 21.964 11.911 1.00 25.00 H new ATOM 1709 N ALA A 113 1.590 29.251 7.763 1.00 25.00 N ATOM 1710 CA ALA A 113 1.202 30.019 6.579 1.00 25.00 C ATOM 1711 C ALA A 113 2.140 29.829 5.421 1.00 25.00 C ATOM 1712 O ALA A 113 1.868 30.288 4.339 1.00 25.00 O ATOM 1713 CB ALA A 113 1.012 31.443 6.960 1.00 25.00 C ATOM 0 H ALA A 113 1.825 29.800 8.590 1.00 25.00 H new ATOM 0 HA ALA A 113 0.250 29.636 6.211 1.00 25.00 H new ATOM 0 HB1 ALA A 113 0.723 32.019 6.081 1.00 25.00 H new ATOM 0 HB2 ALA A 113 0.230 31.516 7.715 1.00 25.00 H new ATOM 0 HB3 ALA A 113 1.944 31.839 7.363 1.00 25.00 H new ATOM 1719 N ASP A 114 3.230 29.084 5.579 1.00 25.00 N ATOM 1720 CA ASP A 114 4.121 28.795 4.495 1.00 25.00 C ATOM 1721 C ASP A 114 3.547 27.980 3.398 1.00 25.00 C ATOM 1722 O ASP A 114 3.899 28.188 2.243 1.00 25.00 O ATOM 1723 CB ASP A 114 5.331 28.115 5.082 1.00 25.00 C ATOM 1724 CG ASP A 114 6.038 27.228 4.045 1.00 25.00 C ATOM 1725 OD1 ASP A 114 5.896 25.983 3.932 1.00 25.00 O ATOM 1726 OD2 ASP A 114 6.810 27.830 3.248 1.00 25.00 O1- ATOM 0 H ASP A 114 3.508 28.670 6.469 1.00 25.00 H new ATOM 0 HA ASP A 114 4.365 29.742 4.014 1.00 25.00 H new ATOM 0 HB2 ASP A 114 6.027 28.867 5.454 1.00 25.00 H new ATOM 0 HB3 ASP A 114 5.030 27.508 5.936 1.00 25.00 H new ATOM 1731 N PHE A 115 2.540 27.178 3.751 1.00 25.00 N ATOM 1732 CA PHE A 115 1.900 26.292 2.835 1.00 25.00 C ATOM 1733 C PHE A 115 0.420 26.598 2.954 1.00 25.00 C ATOM 1734 O PHE A 115 -0.114 27.111 3.956 1.00 25.00 O ATOM 1735 CB PHE A 115 2.210 24.829 3.192 1.00 25.00 C ATOM 1736 CG PHE A 115 1.962 24.458 4.602 1.00 25.00 C ATOM 1737 CD1 PHE A 115 3.023 24.462 5.544 1.00 50.00 C ATOM 1738 CD2 PHE A 115 0.676 24.212 5.089 1.00 50.00 C ATOM 1739 CE1 PHE A 115 2.791 24.177 6.978 1.00 25.00 C ATOM 1740 CE2 PHE A 115 0.456 23.965 6.485 1.00 25.00 C ATOM 1741 CZ PHE A 115 1.497 23.898 7.437 1.00 25.00 C ATOM 0 H PHE A 115 2.158 27.141 4.696 1.00 25.00 H new ATOM 0 HA PHE A 115 2.250 26.430 1.812 1.00 25.00 H new ATOM 0 HB2 PHE A 115 1.611 24.181 2.552 1.00 25.00 H new ATOM 0 HB3 PHE A 115 3.256 24.629 2.959 1.00 25.00 H new ATOM 0 HD1 PHE A 115 4.026 24.679 5.206 1.00 50.00 H new ATOM 0 HD2 PHE A 115 -0.162 24.208 4.407 1.00 50.00 H new ATOM 0 HE1 PHE A 115 3.620 24.184 7.671 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -0.559 23.823 6.826 1.00 25.00 H new ATOM 0 HZ PHE A 115 1.305 23.644 8.469 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.248 26.305 1.816 1.00 25.00 N ATOM 1752 CA GLU A 116 -1.697 26.535 1.701 1.00 25.00 C ATOM 1753 C GLU A 116 -2.421 25.276 1.251 1.00 25.00 C ATOM 1754 O GLU A 116 -1.975 24.679 0.251 1.00 25.00 O ATOM 1755 CB GLU A 116 -1.968 27.664 0.652 1.00 25.00 C ATOM 1756 CG GLU A 116 -3.414 27.990 0.694 1.00 25.00 C ATOM 1757 CD GLU A 116 -3.739 29.386 0.098 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -3.831 29.548 -1.127 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -3.861 30.352 0.865 1.00 25.00 O1- ATOM 0 H GLU A 116 0.188 25.916 0.980 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.068 26.826 2.684 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.371 28.547 0.880 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -1.680 27.334 -0.346 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -3.968 27.229 0.145 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -3.759 27.953 1.727 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.508 24.869 1.939 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.312 23.749 1.522 1.00 25.00 C ATOM 1768 C LEU A 117 -4.958 24.178 0.199 1.00 25.00 C ATOM 1769 O LEU A 117 -5.712 25.175 0.187 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.378 23.375 2.535 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.289 22.151 2.367 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -5.588 20.712 2.358 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.511 22.120 3.380 1.00 50.00 C ATOM 0 H LEU A 117 -3.835 25.319 2.794 1.00 25.00 H new ATOM 0 HA LEU A 117 -3.691 22.859 1.418 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -4.869 23.255 3.491 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.034 24.240 2.629 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.647 22.317 1.351 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.346 19.939 2.232 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -4.876 20.659 1.534 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.064 20.557 3.301 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.109 21.227 3.201 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.135 22.106 4.403 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.129 23.006 3.232 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.592 23.594 -0.901 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.174 24.033 -2.163 1.00 25.00 C ATOM 1787 C ILE A 118 -6.467 23.263 -2.360 1.00 25.00 C ATOM 1788 O ILE A 118 -7.376 23.722 -3.045 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.148 23.829 -3.345 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.752 24.329 -4.655 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.715 22.338 -3.551 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -3.800 24.638 -5.784 1.00 25.00 C ATOM 0 H ILE A 118 -3.915 22.834 -0.968 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.399 25.100 -2.149 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.262 24.400 -3.068 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.461 23.579 -5.007 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.324 25.232 -4.440 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.010 22.275 -4.380 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.241 21.968 -2.642 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.593 21.732 -3.775 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.364 24.982 -6.651 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -3.104 25.416 -5.471 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.243 23.739 -6.047 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.632 22.126 -1.680 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.888 21.329 -1.696 1.00 25.00 C ATOM 1806 C GLY A 119 -7.791 20.051 -0.940 1.00 25.00 C ATOM 1807 O GLY A 119 -6.670 19.621 -0.546 1.00 25.00 O ATOM 0 H GLY A 119 -5.901 21.719 -1.096 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.695 21.930 -1.276 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.157 21.111 -2.729 1.00 25.00 H new ATOM 1811 N ALA A 120 -8.907 19.415 -0.669 1.00 25.00 N ATOM 1812 CA ALA A 120 -8.843 18.185 0.112 1.00 25.00 C ATOM 1813 C ALA A 120 -10.032 17.317 -0.441 1.00 25.00 C ATOM 1814 O ALA A 120 -10.988 17.800 -0.939 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.047 18.433 1.630 1.00 25.00 C ATOM 0 H ALA A 120 -9.840 19.707 -0.961 1.00 25.00 H new ATOM 0 HA ALA A 120 -7.866 17.712 0.016 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -8.990 17.485 2.164 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.270 19.104 1.997 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.025 18.885 1.797 1.00 25.00 H new ATOM 1821 N VAL A 121 -9.940 15.999 -0.304 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.008 15.111 -0.764 1.00 25.00 C ATOM 1823 C VAL A 121 -11.344 14.171 0.411 1.00 25.00 C ATOM 1824 O VAL A 121 -10.547 13.224 0.700 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.733 14.330 -2.052 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -11.807 13.328 -2.524 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.420 15.307 -3.218 1.00 50.00 C ATOM 0 H VAL A 121 -9.144 15.522 0.119 1.00 25.00 H new ATOM 0 HA VAL A 121 -11.853 15.737 -1.051 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.879 13.710 -1.779 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.478 12.849 -3.446 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -11.960 12.570 -1.756 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.743 13.856 -2.704 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -10.226 14.738 -4.127 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.272 15.968 -3.378 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.541 15.902 -2.968 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.492 14.316 1.114 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.812 13.327 2.143 1.00 25.00 C ATOM 1839 C PRO A 122 -13.351 12.098 1.443 1.00 25.00 C ATOM 1840 O PRO A 122 -13.598 12.153 0.226 1.00 25.00 O ATOM 1841 CB PRO A 122 -13.805 14.080 3.015 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.522 14.983 2.097 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.414 15.458 1.140 1.00 25.00 C ATOM 0 HA PRO A 122 -11.993 12.954 2.758 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.493 13.394 3.510 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.295 14.640 3.799 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.320 14.466 1.565 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -14.981 15.817 2.628 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -13.806 15.684 0.148 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -12.927 16.363 1.503 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.362 10.970 2.124 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.666 9.725 1.442 1.00 25.00 C ATOM 1853 C HIS A 123 -14.571 8.830 2.323 1.00 25.00 C ATOM 1854 O HIS A 123 -14.204 7.736 2.664 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.349 9.022 1.024 1.00 25.00 C ATOM 1856 CG HIS A 123 -12.433 8.315 -0.261 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -13.119 7.135 -0.470 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -11.932 8.647 -1.512 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -12.956 6.739 -1.713 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -12.237 7.640 -2.361 1.00 25.00 N ATOM 0 H HIS A 123 -13.170 10.887 3.122 1.00 25.00 H new ATOM 0 HA HIS A 123 -14.228 9.931 0.531 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -11.554 9.766 0.967 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -12.066 8.311 1.801 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -11.394 9.549 -1.763 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -13.346 5.825 -2.136 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -11.958 7.584 -3.341 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.785 9.338 2.606 1.00 25.00 N ATOM 1869 CA ASP A 124 -16.851 8.507 3.182 1.00 25.00 C ATOM 1870 C ASP A 124 -18.263 8.780 2.649 1.00 25.00 C ATOM 1871 O ASP A 124 -19.146 7.913 2.827 1.00 25.00 O ATOM 1872 CB ASP A 124 -16.907 8.680 4.712 1.00 25.00 C ATOM 1873 CG ASP A 124 -17.463 10.028 5.118 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -16.831 11.088 4.842 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.558 10.072 5.708 1.00 50.00 O1- ATOM 0 H ASP A 124 -16.048 10.311 2.446 1.00 25.00 H new ATOM 0 HA ASP A 124 -16.577 7.495 2.882 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -17.523 7.891 5.142 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -15.905 8.563 5.125 1.00 25.00 H new ATOM 1880 N GLY A 125 -18.483 9.900 2.013 1.00 25.00 N ATOM 1881 CA GLY A 125 -19.721 10.272 1.386 1.00 25.00 C ATOM 1882 C GLY A 125 -19.669 11.419 0.420 1.00 25.00 C ATOM 1883 O GLY A 125 -20.669 12.087 0.256 1.00 25.00 O ATOM 0 H GLY A 125 -17.763 10.616 1.914 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -20.111 9.401 0.859 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -20.438 10.519 2.169 1.00 25.00 H new ATOM 1887 N SER A 126 -18.459 11.697 -0.111 1.00 25.00 N ATOM 1888 CA SER A 126 -18.232 12.839 -0.973 1.00 25.00 C ATOM 1889 C SER A 126 -18.890 12.696 -2.376 1.00 25.00 C ATOM 1890 O SER A 126 -19.198 11.585 -2.825 1.00 25.00 O ATOM 1891 CB SER A 126 -16.707 12.940 -1.151 1.00 25.00 C ATOM 1892 OG SER A 126 -16.062 11.900 -0.391 1.00 25.00 O ATOM 0 H SER A 126 -17.627 11.130 0.054 1.00 25.00 H new ATOM 0 HA SER A 126 -18.678 13.722 -0.515 1.00 25.00 H new ATOM 0 HB2 SER A 126 -16.447 12.848 -2.206 1.00 25.00 H new ATOM 0 HB3 SER A 126 -16.356 13.917 -0.820 1.00 25.00 H new ATOM 0 HG SER A 126 -15.090 12.005 -0.452 1.00 25.00 H new ATOM 1898 N PRO A 127 -19.055 13.815 -3.095 1.00 25.00 N ATOM 1899 CA PRO A 127 -19.453 13.688 -4.474 1.00 25.00 C ATOM 1900 C PRO A 127 -18.336 13.158 -5.405 1.00 25.00 C ATOM 1901 O PRO A 127 -17.313 12.646 -4.867 1.00 25.00 O ATOM 1902 CB PRO A 127 -19.832 15.122 -4.830 1.00 25.00 C ATOM 1903 CG PRO A 127 -18.901 15.953 -4.019 1.00 25.00 C ATOM 1904 CD PRO A 127 -18.804 15.224 -2.717 1.00 25.00 C ATOM 0 HA PRO A 127 -20.251 12.957 -4.604 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -19.712 15.313 -5.896 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -20.873 15.333 -4.584 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -17.927 16.044 -4.499 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -19.285 16.964 -3.882 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -17.823 15.349 -2.259 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -19.540 15.585 -1.998 1.00 25.00 H new ATOM 1912 N ALA A 128 -18.471 13.167 -6.718 1.00 25.00 N ATOM 1913 CA ALA A 128 -17.410 12.728 -7.667 1.00 25.00 C ATOM 1914 C ALA A 128 -16.045 13.352 -7.679 1.00 25.00 C ATOM 1915 O ALA A 128 -15.193 13.016 -8.467 1.00 25.00 O ATOM 1916 CB ALA A 128 -18.019 12.752 -9.070 1.00 25.00 C ATOM 0 H ALA A 128 -19.323 13.480 -7.183 1.00 25.00 H new ATOM 0 HA ALA A 128 -17.138 11.747 -7.278 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -17.271 12.436 -9.797 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -18.872 12.074 -9.108 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -18.349 13.764 -9.306 1.00 25.00 H new ATOM 1922 N SER A 129 -15.809 14.274 -6.721 1.00 25.00 N ATOM 1923 CA SER A 129 -14.441 14.656 -6.370 1.00 25.00 C ATOM 1924 C SER A 129 -13.648 13.434 -5.933 1.00 25.00 C ATOM 1925 O SER A 129 -12.463 13.494 -5.910 1.00 25.00 O ATOM 1926 CB SER A 129 -14.515 15.624 -5.163 1.00 25.00 C ATOM 1927 OG SER A 129 -15.514 15.103 -4.264 1.00 25.00 O ATOM 0 H SER A 129 -16.537 14.754 -6.192 1.00 25.00 H new ATOM 0 HA SER A 129 -13.959 15.115 -7.233 1.00 25.00 H new ATOM 0 HB2 SER A 129 -13.548 15.694 -4.665 1.00 25.00 H new ATOM 0 HB3 SER A 129 -14.778 16.630 -5.491 1.00 25.00 H new ATOM 0 HG SER A 129 -15.589 15.690 -3.483 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.311 12.323 -5.578 1.00 25.00 N ATOM 1934 CA ARG A 130 -13.632 11.084 -5.181 1.00 25.00 C ATOM 1935 C ARG A 130 -12.814 10.471 -6.294 1.00 25.00 C ATOM 1936 O ARG A 130 -11.969 9.659 -6.013 1.00 25.00 O ATOM 1937 CB ARG A 130 -14.702 10.066 -4.815 1.00 25.00 C ATOM 1938 CG ARG A 130 -15.235 10.238 -3.420 1.00 25.00 C ATOM 1939 CD ARG A 130 -16.092 9.125 -2.992 1.00 25.00 C ATOM 1940 NE ARG A 130 -17.369 9.033 -3.701 1.00 25.00 N ATOM 1941 CZ ARG A 130 -18.521 8.524 -3.346 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -19.571 8.444 -4.096 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -18.705 7.977 -2.190 1.00 25.00 N ATOM 0 H ARG A 130 -15.329 12.260 -5.559 1.00 25.00 H new ATOM 0 HA ARG A 130 -12.961 11.331 -4.358 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.526 10.145 -5.524 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -14.289 9.063 -4.917 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -14.399 10.333 -2.727 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -15.802 11.167 -3.366 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -15.547 8.191 -3.128 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -16.290 9.226 -1.925 1.00 25.00 H new ATOM 0 HE ARG A 130 -17.359 9.437 -4.637 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -19.542 8.796 -5.053 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -20.428 8.029 -3.731 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -17.938 7.932 -1.519 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -19.617 7.591 -1.948 1.00 25.00 H new ATOM 1957 N ASN A 131 -13.056 10.883 -7.546 1.00 25.00 N ATOM 1958 CA ASN A 131 -12.350 10.342 -8.670 1.00 25.00 C ATOM 1959 C ASN A 131 -10.860 10.619 -8.515 1.00 25.00 C ATOM 1960 O ASN A 131 -10.505 11.797 -8.315 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.824 10.985 -10.018 1.00 25.00 C ATOM 1962 CG ASN A 131 -14.128 10.415 -10.503 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -14.552 9.352 -10.102 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -14.805 11.143 -11.382 1.00 25.00 N ATOM 0 H ASN A 131 -13.745 11.596 -7.786 1.00 25.00 H new ATOM 0 HA ASN A 131 -12.552 9.271 -8.698 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.929 12.062 -9.885 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -12.059 10.831 -10.779 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -15.703 10.811 -11.735 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -14.428 12.034 -11.704 1.00 25.00 H new ATOM 1971 N LEU A 132 -10.004 9.668 -8.651 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.599 9.839 -8.483 1.00 25.00 C ATOM 1973 C LEU A 132 -7.818 10.647 -9.458 1.00 25.00 C ATOM 1974 O LEU A 132 -6.608 11.025 -9.258 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.943 8.413 -8.259 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.554 8.237 -7.590 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.371 9.097 -6.298 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.359 6.826 -7.297 1.00 75.00 C ATOM 0 H LEU A 132 -10.270 8.713 -8.891 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.534 10.494 -7.614 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.651 7.832 -7.668 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -7.881 7.939 -9.239 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.799 8.596 -8.290 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -5.378 8.924 -5.884 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -6.483 10.153 -6.545 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -7.125 8.815 -5.563 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.387 6.683 -6.826 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -7.143 6.483 -6.622 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -6.401 6.253 -8.223 1.00 75.00 H new ATOM 1990 N SER A 133 -8.501 11.083 -10.509 1.00 25.00 N ATOM 1991 CA SER A 133 -8.119 12.171 -11.379 1.00 25.00 C ATOM 1992 C SER A 133 -8.610 13.450 -10.804 1.00 25.00 C ATOM 1993 O SER A 133 -9.832 13.589 -10.566 1.00 25.00 O ATOM 1994 CB SER A 133 -8.775 12.023 -12.731 1.00 25.00 C ATOM 1995 OG SER A 133 -8.331 13.109 -13.586 1.00 25.00 O ATOM 0 H SER A 133 -9.386 10.658 -10.787 1.00 25.00 H new ATOM 0 HA SER A 133 -7.034 12.161 -11.478 1.00 25.00 H new ATOM 0 HB2 SER A 133 -8.514 11.062 -13.174 1.00 25.00 H new ATOM 0 HB3 SER A 133 -9.860 12.042 -12.629 1.00 25.00 H new ATOM 0 HG SER A 133 -8.749 13.023 -14.468 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.719 14.419 -10.648 1.00 25.00 N ATOM 2002 CA HIS A 134 -8.067 15.798 -10.195 1.00 25.00 C ATOM 2003 C HIS A 134 -7.466 16.987 -10.929 1.00 25.00 C ATOM 2004 O HIS A 134 -6.271 17.080 -11.268 1.00 25.00 O ATOM 2005 CB HIS A 134 -7.671 15.966 -8.732 1.00 25.00 C ATOM 2006 CG HIS A 134 -7.927 17.349 -8.146 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -6.943 18.159 -7.564 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -9.079 18.070 -8.081 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -7.482 19.280 -7.178 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -8.749 19.312 -7.520 1.00 25.00 N ATOM 0 H HIS A 134 -6.723 14.290 -10.828 1.00 25.00 H new ATOM 0 HA HIS A 134 -9.136 15.837 -10.404 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -8.214 15.231 -8.138 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -6.610 15.736 -8.631 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -10.059 17.748 -8.400 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -6.963 20.068 -6.653 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -9.383 20.102 -7.399 1.00 25.00 H new ATOM 2018 N HIS A 135 -8.341 17.895 -11.287 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.951 19.035 -12.120 1.00 25.00 C ATOM 2020 C HIS A 135 -7.539 20.268 -11.315 1.00 25.00 C ATOM 2021 O HIS A 135 -8.318 20.666 -10.433 1.00 25.00 O ATOM 2022 CB HIS A 135 -9.140 19.470 -13.059 1.00 25.00 C ATOM 2023 CG HIS A 135 -9.410 18.578 -14.248 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -9.187 18.974 -15.550 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -9.957 17.360 -14.362 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -9.522 17.965 -16.368 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -9.981 16.995 -15.668 1.00 25.00 N ATOM 0 H HIS A 135 -9.326 17.878 -11.022 1.00 25.00 H new ATOM 0 HA HIS A 135 -7.091 18.687 -12.692 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -10.048 19.526 -12.459 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.938 20.477 -13.425 1.00 25.00 H new ATOM 0 HD1 HIS A 135 -8.827 19.883 -15.842 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -10.322 16.761 -13.541 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.421 17.970 -17.443 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.398 20.878 -11.575 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.992 22.210 -11.030 1.00 25.00 C ATOM 2037 C ILE A 136 -5.749 23.109 -12.266 1.00 25.00 C ATOM 2038 O ILE A 136 -4.920 22.734 -13.153 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.691 22.139 -10.071 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.857 21.004 -9.033 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.423 23.448 -9.377 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -3.764 20.782 -7.897 1.00 25.00 C ATOM 0 H ILE A 136 -5.691 20.469 -12.186 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.773 22.611 -10.384 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.829 21.928 -10.704 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.813 21.162 -8.533 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.938 20.070 -9.588 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.540 23.351 -8.745 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -4.252 24.226 -10.121 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.282 23.716 -8.762 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -4.058 19.941 -7.269 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -2.799 20.572 -8.357 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -3.687 21.681 -7.286 1.00 25.00 H new ATOM 2054 N TYR A 137 -6.426 24.240 -12.344 1.00 25.00 N ATOM 2055 CA TYR A 137 -6.011 25.260 -13.295 1.00 25.00 C ATOM 2056 C TYR A 137 -4.763 25.910 -12.664 1.00 25.00 C ATOM 2057 O TYR A 137 -4.685 26.171 -11.460 1.00 25.00 O ATOM 2058 CB TYR A 137 -7.136 26.265 -13.515 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.656 27.307 -14.374 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -6.445 28.624 -13.909 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.407 27.014 -15.746 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -6.088 29.652 -14.808 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -6.003 28.032 -16.662 1.00 25.00 C ATOM 2064 CZ TYR A 137 -5.938 29.311 -16.203 1.00 25.00 C ATOM 2065 OH TYR A 137 -5.551 30.298 -17.035 1.00 25.00 O ATOM 0 H TYR A 137 -7.243 24.474 -11.779 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.782 24.853 -14.280 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -8.000 25.774 -13.962 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.464 26.681 -12.562 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -6.558 28.846 -12.858 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.526 26.001 -16.100 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -5.932 30.663 -14.463 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.757 27.794 -17.686 1.00 25.00 H new ATOM 0 HH TYR A 137 -5.483 29.948 -17.948 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.766 26.144 -13.477 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.554 26.830 -13.052 1.00 25.00 C ATOM 2077 C ILE A 138 -2.609 28.092 -13.878 1.00 25.00 C ATOM 2078 O ILE A 138 -2.960 27.998 -15.031 1.00 25.00 O ATOM 2079 CB ILE A 138 -1.257 26.058 -13.479 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -1.270 24.606 -12.947 1.00 25.00 C ATOM 2081 CG2 ILE A 138 -0.071 26.868 -13.068 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -1.300 24.412 -11.421 1.00 25.00 C ATOM 0 H ILE A 138 -3.763 25.867 -14.459 1.00 25.00 H new ATOM 0 HA ILE A 138 -2.513 26.954 -11.970 1.00 25.00 H new ATOM 0 HB ILE A 138 -1.207 25.942 -14.562 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -2.139 24.101 -13.368 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -0.387 24.097 -13.334 1.00 25.00 H new ATOM 0 HG21 ILE A 138 0.842 26.348 -13.356 1.00 25.00 H new ATOM 0 HG22 ILE A 138 -0.106 27.840 -13.560 1.00 25.00 H new ATOM 0 HG23 ILE A 138 -0.083 27.008 -11.987 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -1.306 23.347 -11.190 1.00 25.00 H new ATOM 0 HD12 ILE A 138 -0.418 24.874 -10.978 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -2.197 24.877 -11.013 1.00 25.00 H new ATOM 2094 N PRO A 139 -2.447 29.281 -13.243 1.00 25.00 N ATOM 2095 CA PRO A 139 -2.650 30.491 -14.058 1.00 25.00 C ATOM 2096 C PRO A 139 -1.585 30.555 -15.142 1.00 25.00 C ATOM 2097 O PRO A 139 -0.481 30.032 -15.000 1.00 25.00 O ATOM 2098 CB PRO A 139 -2.573 31.636 -13.031 1.00 25.00 C ATOM 2099 CG PRO A 139 -1.723 31.079 -11.967 1.00 25.00 C ATOM 2100 CD PRO A 139 -2.122 29.594 -11.831 1.00 25.00 C ATOM 0 HA PRO A 139 -3.596 30.529 -14.598 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -2.137 32.536 -13.464 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -3.560 31.908 -12.657 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -0.667 31.177 -12.221 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -1.876 31.611 -11.028 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -1.310 28.978 -11.445 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -2.974 29.451 -11.166 1.00 25.00 H new ATOM 2108 N GLU A 140 -1.994 30.979 -16.328 1.00 25.00 N ATOM 2109 CA GLU A 140 -1.191 30.865 -17.575 1.00 25.00 C ATOM 2110 C GLU A 140 -0.728 32.251 -17.952 1.00 25.00 C ATOM 2111 O GLU A 140 -0.098 32.444 -18.968 1.00 25.00 O ATOM 2112 CB GLU A 140 -2.088 30.215 -18.666 1.00 25.00 C ATOM 2113 CG GLU A 140 -1.376 29.591 -19.853 1.00 25.00 C ATOM 2114 CD GLU A 140 -2.407 29.222 -20.932 1.00 25.00 C ATOM 2115 OE1 GLU A 140 -2.302 28.097 -21.531 1.00 25.00 O ATOM 2116 OE2 GLU A 140 -3.384 29.939 -21.214 1.00 25.00 O1- ATOM 0 H GLU A 140 -2.902 31.420 -16.472 1.00 25.00 H new ATOM 0 HA GLU A 140 -0.309 30.237 -17.452 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -2.697 29.445 -18.192 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -2.772 30.976 -19.041 1.00 25.00 H new ATOM 0 HG2 GLU A 140 -0.643 30.288 -20.259 1.00 25.00 H new ATOM 0 HG3 GLU A 140 -0.830 28.702 -19.537 1.00 25.00 H new ATOM 2123 N ASP A 141 -1.038 33.236 -17.140 1.00 25.00 N ATOM 2124 CA ASP A 141 -0.536 34.619 -17.374 1.00 25.00 C ATOM 2125 C ASP A 141 0.850 34.926 -16.869 1.00 25.00 C ATOM 2126 O ASP A 141 1.460 35.875 -17.410 1.00 25.00 O ATOM 2127 CB ASP A 141 -1.499 35.743 -16.916 1.00 25.00 C ATOM 2128 CG ASP A 141 -1.503 35.837 -15.398 1.00 25.00 C ATOM 2129 OD1 ASP A 141 -1.911 34.830 -14.740 1.00 50.00 O ATOM 2130 OD2 ASP A 141 -1.000 36.805 -14.782 1.00 50.00 O1- ATOM 0 H ASP A 141 -1.627 33.133 -16.314 1.00 25.00 H new ATOM 0 HA ASP A 141 -0.483 34.618 -18.463 1.00 25.00 H new ATOM 0 HB2 ASP A 141 -1.191 36.696 -17.347 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -2.507 35.540 -17.279 1.00 25.00 H new ATOM 2135 N ARG A 142 1.353 34.201 -15.882 1.00 25.00 N ATOM 2136 CA ARG A 142 2.641 34.473 -15.260 1.00 25.00 C ATOM 2137 C ARG A 142 3.284 33.126 -14.925 1.00 25.00 C ATOM 2138 O ARG A 142 2.491 32.221 -14.700 1.00 25.00 O ATOM 2139 CB ARG A 142 2.460 35.326 -13.991 1.00 25.00 C ATOM 2140 CG ARG A 142 1.452 34.764 -12.958 1.00 25.00 C ATOM 2141 CD ARG A 142 1.072 35.771 -11.879 1.00 25.00 C ATOM 2142 NE ARG A 142 0.420 35.030 -10.749 1.00 25.00 N ATOM 2143 CZ ARG A 142 -0.054 35.504 -9.587 1.00 25.00 C ATOM 2144 NH1 ARG A 142 0.080 36.697 -9.138 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 -0.734 34.657 -8.849 1.00 25.00 N ATOM 0 H ARG A 142 0.871 33.395 -15.484 1.00 25.00 H new ATOM 0 HA ARG A 142 3.281 35.038 -15.938 1.00 25.00 H new ATOM 0 HB2 ARG A 142 3.430 35.437 -13.506 1.00 25.00 H new ATOM 0 HB3 ARG A 142 2.135 36.324 -14.286 1.00 25.00 H new ATOM 0 HG2 ARG A 142 0.550 34.442 -13.479 1.00 25.00 H new ATOM 0 HG3 ARG A 142 1.881 33.880 -12.486 1.00 25.00 H new ATOM 0 HD2 ARG A 142 1.957 36.300 -11.525 1.00 25.00 H new ATOM 0 HD3 ARG A 142 0.392 36.521 -12.283 1.00 25.00 H new ATOM 0 HE ARG A 142 0.324 34.023 -10.883 1.00 25.00 H new ATOM 0 HH11 ARG A 142 0.590 37.392 -9.682 1.00 25.00 H new ATOM 0 HH12 ARG A 142 -0.324 36.951 -8.236 1.00 25.00 H new ATOM 0 HH21 ARG A 142 -0.875 33.699 -9.171 1.00 25.00 H new ATOM 0 HH22 ARG A 142 -1.121 34.957 -7.954 1.00 25.00 H new ATOM 2159 N LEU A 143 4.594 33.045 -14.824 1.00 25.00 N ATOM 2160 CA LEU A 143 5.327 31.877 -14.316 1.00 25.00 C ATOM 2161 C LEU A 143 5.197 31.812 -12.789 1.00 25.00 C ATOM 2162 O LEU A 143 4.839 32.822 -12.173 1.00 25.00 O ATOM 2163 CB LEU A 143 6.731 31.966 -14.839 1.00 25.00 C ATOM 2164 CG LEU A 143 7.831 32.921 -14.363 1.00 25.00 C ATOM 2165 CD1 LEU A 143 9.256 32.632 -14.960 1.00 50.00 C ATOM 2166 CD2 LEU A 143 7.459 34.365 -14.534 1.00 50.00 C ATOM 0 H LEU A 143 5.210 33.810 -15.100 1.00 25.00 H new ATOM 0 HA LEU A 143 4.917 30.930 -14.667 1.00 25.00 H new ATOM 0 HB2 LEU A 143 7.147 30.965 -14.725 1.00 25.00 H new ATOM 0 HB3 LEU A 143 6.631 32.149 -15.909 1.00 25.00 H new ATOM 0 HG LEU A 143 7.909 32.715 -13.295 1.00 25.00 H new ATOM 0 HD11 LEU A 143 9.969 33.357 -14.567 1.00 50.00 H new ATOM 0 HD12 LEU A 143 9.570 31.626 -14.681 1.00 50.00 H new ATOM 0 HD13 LEU A 143 9.218 32.712 -16.046 1.00 50.00 H new ATOM 0 HD21 LEU A 143 8.275 34.995 -14.180 1.00 50.00 H new ATOM 0 HD22 LEU A 143 7.272 34.570 -15.588 1.00 50.00 H new ATOM 0 HD23 LEU A 143 6.559 34.580 -13.958 1.00 50.00 H new ATOM 2178 N GLY A 144 5.512 30.689 -12.158 1.00 25.00 N ATOM 2179 CA GLY A 144 5.601 30.678 -10.705 1.00 25.00 C ATOM 2180 C GLY A 144 5.878 29.216 -10.248 1.00 25.00 C ATOM 2181 O GLY A 144 5.359 28.287 -10.825 1.00 25.00 O ATOM 0 H GLY A 144 5.705 29.797 -12.614 1.00 25.00 H new ATOM 0 HA2 GLY A 144 6.399 31.340 -10.368 1.00 25.00 H new ATOM 0 HA3 GLY A 144 4.674 31.045 -10.264 1.00 25.00 H new ATOM 2185 N TYR A 145 6.800 29.061 -9.330 1.00 25.00 N ATOM 2186 CA TYR A 145 7.264 27.780 -8.823 1.00 25.00 C ATOM 2187 C TYR A 145 6.934 27.615 -7.387 1.00 25.00 C ATOM 2188 O TYR A 145 6.920 28.555 -6.610 1.00 25.00 O ATOM 2189 CB TYR A 145 8.754 27.446 -9.053 1.00 25.00 C ATOM 2190 CG TYR A 145 9.783 28.250 -8.191 1.00 25.00 C ATOM 2191 CD1 TYR A 145 10.294 29.444 -8.666 1.00 50.00 C ATOM 2192 CD2 TYR A 145 10.228 27.698 -6.983 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.238 30.110 -7.899 1.00 25.00 C ATOM 2194 CE2 TYR A 145 11.173 28.417 -6.214 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.690 29.578 -6.690 1.00 25.00 C ATOM 2196 OH TYR A 145 12.600 30.256 -5.985 1.00 25.00 O ATOM 0 H TYR A 145 7.271 29.853 -8.893 1.00 25.00 H new ATOM 0 HA TYR A 145 6.716 27.062 -9.433 1.00 25.00 H new ATOM 0 HB2 TYR A 145 8.901 26.383 -8.859 1.00 25.00 H new ATOM 0 HB3 TYR A 145 8.984 27.613 -10.105 1.00 25.00 H new ATOM 0 HD1 TYR A 145 9.966 29.848 -9.612 1.00 50.00 H new ATOM 0 HD2 TYR A 145 9.857 26.742 -6.645 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.630 31.056 -8.243 1.00 25.00 H new ATOM 0 HE2 TYR A 145 11.483 28.042 -5.249 1.00 25.00 H new ATOM 0 HH TYR A 145 12.816 29.761 -5.167 1.00 25.00 H new ATOM 2206 N HIS A 146 6.698 26.358 -6.996 1.00 25.00 N ATOM 2207 CA HIS A 146 6.237 25.954 -5.640 1.00 25.00 C ATOM 2208 C HIS A 146 6.544 24.489 -5.476 1.00 25.00 C ATOM 2209 O HIS A 146 6.619 23.819 -6.515 1.00 25.00 O ATOM 2210 CB HIS A 146 4.770 26.335 -5.408 1.00 25.00 C ATOM 2211 CG HIS A 146 3.816 25.694 -6.385 1.00 25.00 C ATOM 2212 ND1 HIS A 146 3.378 24.419 -6.285 1.00 25.00 N ATOM 2213 CD2 HIS A 146 3.168 26.217 -7.461 1.00 25.00 C ATOM 2214 CE1 HIS A 146 2.507 24.149 -7.263 1.00 25.00 C ATOM 2215 NE2 HIS A 146 2.315 25.286 -7.950 1.00 25.00 N ATOM 0 H HIS A 146 6.822 25.563 -7.623 1.00 25.00 H new ATOM 0 HA HIS A 146 6.769 26.497 -4.859 1.00 25.00 H new ATOM 0 HB2 HIS A 146 4.485 26.050 -4.395 1.00 25.00 H new ATOM 0 HB3 HIS A 146 4.670 27.418 -5.474 1.00 25.00 H new ATOM 0 HD1 HIS A 146 3.670 23.757 -5.566 1.00 25.00 H new ATOM 0 HD2 HIS A 146 3.310 27.211 -7.859 1.00 25.00 H new ATOM 0 HE1 HIS A 146 2.044 23.194 -7.463 1.00 25.00 H new ATOM 2223 N VAL A 147 6.565 23.990 -4.241 1.00 25.00 N ATOM 2224 CA VAL A 147 6.590 22.545 -3.928 1.00 25.00 C ATOM 2225 C VAL A 147 5.079 22.222 -3.819 1.00 25.00 C ATOM 2226 O VAL A 147 4.246 23.119 -3.584 1.00 25.00 O ATOM 2227 CB VAL A 147 7.375 22.291 -2.549 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.619 20.823 -2.286 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.748 23.074 -2.670 1.00 50.00 C ATOM 0 H VAL A 147 6.565 24.581 -3.409 1.00 25.00 H new ATOM 0 HA VAL A 147 7.104 21.922 -4.660 1.00 25.00 H new ATOM 0 HB VAL A 147 6.779 22.644 -1.708 1.00 25.00 H new ATOM 0 HG11 VAL A 147 8.152 20.706 -1.343 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.664 20.300 -2.230 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.217 20.403 -3.095 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.327 22.937 -1.757 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.313 22.689 -3.519 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.550 24.136 -2.818 1.00 50.00 H new ATOM 2239 N ILE A 148 4.731 20.948 -3.970 1.00 25.00 N ATOM 2240 CA ILE A 148 3.412 20.410 -3.778 1.00 25.00 C ATOM 2241 C ILE A 148 3.700 19.578 -2.530 1.00 25.00 C ATOM 2242 O ILE A 148 4.784 18.901 -2.464 1.00 25.00 O ATOM 2243 CB ILE A 148 2.866 19.519 -4.963 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.720 20.431 -6.237 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.461 18.878 -4.584 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.238 19.776 -7.438 1.00 25.00 C ATOM 0 H ILE A 148 5.407 20.235 -4.244 1.00 25.00 H new ATOM 0 HA ILE A 148 2.629 21.166 -3.710 1.00 25.00 H new ATOM 0 HB ILE A 148 3.561 18.703 -5.160 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.042 21.250 -5.997 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.691 20.875 -6.454 1.00 25.00 H new ATOM 0 HG21 ILE A 148 1.103 18.269 -5.414 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.573 18.254 -3.697 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.742 19.672 -4.381 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.178 20.502 -8.249 1.00 25.00 H new ATOM 0 HD12 ILE A 148 2.924 18.976 -7.717 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.249 19.357 -7.252 1.00 25.00 H new ATOM 2258 N LEU A 149 2.847 19.608 -1.528 1.00 25.00 N ATOM 2259 CA LEU A 149 2.953 18.651 -0.427 1.00 25.00 C ATOM 2260 C LEU A 149 1.598 18.017 -0.375 1.00 25.00 C ATOM 2261 O LEU A 149 0.577 18.698 -0.651 1.00 25.00 O ATOM 2262 CB LEU A 149 3.199 19.249 0.976 1.00 25.00 C ATOM 2263 CG LEU A 149 4.560 19.838 1.429 1.00 25.00 C ATOM 2264 CD1 LEU A 149 5.013 21.141 0.656 1.00 50.00 C ATOM 2265 CD2 LEU A 149 4.490 20.184 2.927 1.00 50.00 C ATOM 0 H LEU A 149 2.078 20.273 -1.445 1.00 25.00 H new ATOM 0 HA LEU A 149 3.808 18.005 -0.626 1.00 25.00 H new ATOM 0 HB2 LEU A 149 2.463 20.043 1.104 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.951 18.465 1.691 1.00 25.00 H new ATOM 0 HG LEU A 149 5.296 19.065 1.207 1.00 25.00 H new ATOM 0 HD11 LEU A 149 5.975 21.478 1.043 1.00 50.00 H new ATOM 0 HD12 LEU A 149 5.107 20.919 -0.407 1.00 50.00 H new ATOM 0 HD13 LEU A 149 4.270 21.926 0.799 1.00 50.00 H new ATOM 0 HD21 LEU A 149 5.445 20.598 3.250 1.00 50.00 H new ATOM 0 HD22 LEU A 149 3.701 20.917 3.095 1.00 50.00 H new ATOM 0 HD23 LEU A 149 4.274 19.282 3.499 1.00 50.00 H new ATOM 2277 N ALA A 150 1.505 16.746 0.014 1.00 25.00 N ATOM 2278 CA ALA A 150 0.180 16.067 0.079 1.00 25.00 C ATOM 2279 C ALA A 150 0.125 15.087 1.276 1.00 25.00 C ATOM 2280 O ALA A 150 1.165 14.505 1.622 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.167 15.409 -1.240 1.00 25.00 C ATOM 0 H ALA A 150 2.299 16.166 0.285 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.588 16.820 0.253 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.139 14.923 -1.159 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.203 16.164 -2.025 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.591 14.666 -1.486 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.058 14.823 1.813 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.242 13.876 2.922 1.00 25.00 C ATOM 2289 C VAL A 151 -2.397 12.924 2.650 1.00 25.00 C ATOM 2290 O VAL A 151 -3.372 13.331 2.085 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.627 14.636 4.239 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -1.658 13.744 5.533 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.594 15.743 4.528 1.00 50.00 C ATOM 0 H VAL A 151 -1.925 15.257 1.496 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.300 13.337 3.022 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.632 15.011 4.047 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -1.934 14.357 6.391 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.390 12.946 5.407 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -0.672 13.310 5.699 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -0.868 16.266 5.444 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.394 15.297 4.646 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.576 16.449 3.698 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.264 11.667 3.001 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.254 10.604 2.723 1.00 25.00 C ATOM 2305 C TRP A 152 -3.581 9.770 3.959 1.00 25.00 C ATOM 2306 O TRP A 152 -2.669 9.467 4.707 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.654 9.684 1.650 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.393 9.633 0.387 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.400 8.776 0.112 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.070 10.314 -0.834 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -4.831 8.981 -1.180 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.045 9.945 -1.790 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.089 11.278 -1.212 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -4.045 10.341 -3.148 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -2.076 11.698 -2.635 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -3.036 11.175 -3.552 1.00 25.00 C ATOM 0 H TRP A 152 -1.445 11.325 3.504 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.182 11.072 2.395 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -1.635 10.011 1.443 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.589 8.674 2.055 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -4.804 8.045 0.797 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -5.612 8.496 -1.622 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -1.389 11.683 -0.496 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -4.806 10.001 -3.835 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -1.335 12.404 -2.979 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -2.965 11.445 -4.595 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.870 9.503 4.239 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.319 8.754 5.403 1.00 25.00 C ATOM 2329 C ASP A 153 -6.084 7.505 5.032 1.00 25.00 C ATOM 2330 O ASP A 153 -6.966 7.515 4.158 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.169 9.659 6.288 1.00 25.00 C ATOM 2332 CG ASP A 153 -5.402 10.758 6.978 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -4.320 10.543 7.584 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -5.940 11.949 6.998 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.637 9.814 3.642 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.434 8.424 5.948 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -6.954 10.108 5.679 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.662 9.048 7.044 1.00 25.00 H new ATOM 2339 N VAL A 154 -5.708 6.403 5.704 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.205 5.053 5.447 1.00 25.00 C ATOM 2341 C VAL A 154 -6.562 4.574 6.842 1.00 25.00 C ATOM 2342 O VAL A 154 -5.705 4.327 7.673 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.159 4.164 4.760 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -5.620 2.741 4.545 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.676 4.840 3.439 1.00 50.00 C ATOM 0 H VAL A 154 -5.028 6.436 6.464 1.00 25.00 H new ATOM 0 HA VAL A 154 -7.046 5.022 4.754 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.310 4.075 5.438 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.829 2.172 4.055 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -5.852 2.285 5.507 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -6.511 2.738 3.917 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.934 4.205 2.956 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -5.525 4.980 2.770 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -4.231 5.809 3.667 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.854 4.405 7.074 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.329 4.087 8.457 1.00 25.00 C ATOM 2357 C ALA A 155 -8.035 2.625 8.737 1.00 25.00 C ATOM 2358 O ALA A 155 -7.853 2.309 9.849 1.00 25.00 O ATOM 2359 CB ALA A 155 -9.793 4.467 8.675 1.00 25.00 C ATOM 0 H ALA A 155 -8.587 4.474 6.368 1.00 25.00 H new ATOM 0 HA ALA A 155 -7.787 4.696 9.181 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -10.086 4.215 9.694 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -9.919 5.538 8.515 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.420 3.919 7.971 1.00 25.00 H new ATOM 2365 N ASP A 156 -7.930 1.788 7.703 1.00 25.00 N ATOM 2366 CA ASP A 156 -7.670 0.378 7.824 1.00 25.00 C ATOM 2367 C ASP A 156 -6.300 0.001 8.356 1.00 25.00 C ATOM 2368 O ASP A 156 -5.989 -1.120 8.737 1.00 25.00 O ATOM 2369 CB ASP A 156 -7.975 -0.297 6.478 1.00 25.00 C ATOM 2370 CG ASP A 156 -9.434 -0.227 6.184 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -10.101 -1.271 6.466 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -10.012 0.800 5.726 1.00 25.00 O1- ATOM 0 H ASP A 156 -8.029 2.096 6.736 1.00 25.00 H new ATOM 0 HA ASP A 156 -8.338 0.006 8.601 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -7.413 0.192 5.682 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -7.652 -1.338 6.504 1.00 25.00 H new ATOM 2377 N THR A 157 -5.402 0.992 8.250 1.00 25.00 N ATOM 2378 CA THR A 157 -3.992 0.821 8.570 1.00 25.00 C ATOM 2379 C THR A 157 -3.485 1.732 9.725 1.00 25.00 C ATOM 2380 O THR A 157 -3.981 2.827 9.981 1.00 25.00 O ATOM 2381 CB THR A 157 -3.165 1.101 7.307 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.388 2.509 6.978 1.00 25.00 O ATOM 2383 CG2 THR A 157 -3.564 0.240 6.059 1.00 25.00 C ATOM 0 H THR A 157 -5.642 1.933 7.939 1.00 25.00 H new ATOM 0 HA THR A 157 -3.871 -0.205 8.918 1.00 25.00 H new ATOM 0 HB THR A 157 -2.127 0.848 7.525 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.717 3.061 7.431 1.00 25.00 H new ATOM 0 HG21 THR A 157 -2.927 0.506 5.215 1.00 25.00 H new ATOM 0 HG22 THR A 157 -3.437 -0.817 6.291 1.00 25.00 H new ATOM 0 HG23 THR A 157 -4.606 0.432 5.802 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.489 1.206 10.405 1.00 25.00 N ATOM 2392 CA GLU A 158 -1.701 1.936 11.353 1.00 25.00 C ATOM 2393 C GLU A 158 -0.675 2.803 10.622 1.00 25.00 C ATOM 2394 O GLU A 158 -0.289 3.853 11.094 1.00 25.00 O ATOM 2395 CB GLU A 158 -1.026 0.975 12.345 1.00 25.00 C ATOM 2396 CG GLU A 158 -1.943 0.411 13.332 1.00 25.00 C ATOM 2397 CD GLU A 158 -2.326 1.383 14.409 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -1.653 1.537 15.446 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -3.426 1.985 14.251 1.00 25.00 O1- ATOM 0 H GLU A 158 -2.204 0.232 10.305 1.00 25.00 H new ATOM 0 HA GLU A 158 -2.352 2.596 11.927 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -0.559 0.162 11.789 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -0.228 1.505 12.865 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -2.845 0.067 12.825 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -1.481 -0.464 13.789 1.00 25.00 H new ATOM 2406 N ASN A 159 -0.299 2.402 9.413 1.00 25.00 N ATOM 2407 CA ASN A 159 0.380 3.345 8.550 1.00 25.00 C ATOM 2408 C ASN A 159 -0.477 4.572 8.155 1.00 25.00 C ATOM 2409 O ASN A 159 -1.713 4.440 7.990 1.00 25.00 O ATOM 2410 CB ASN A 159 0.662 2.724 7.245 1.00 25.00 C ATOM 2411 CG ASN A 159 1.577 1.553 7.407 1.00 25.00 C ATOM 2412 OD1 ASN A 159 1.358 0.430 6.949 1.00 25.00 O ATOM 2413 ND2 ASN A 159 2.822 1.861 7.833 1.00 25.00 N ATOM 0 H ASN A 159 -0.447 1.470 9.025 1.00 25.00 H new ATOM 0 HA ASN A 159 1.257 3.641 9.125 1.00 25.00 H new ATOM 0 HB2 ASN A 159 -0.270 2.403 6.780 1.00 25.00 H new ATOM 0 HB3 ASN A 159 1.115 3.457 6.578 1.00 25.00 H new ATOM 0 HD21 ASN A 159 3.568 1.167 7.773 1.00 25.00 H new ATOM 0 HD22 ASN A 159 3.016 2.787 8.214 1.00 25.00 H new ATOM 2420 N ALA A 160 0.232 5.669 7.891 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.287 6.944 7.385 1.00 25.00 C ATOM 2422 C ALA A 160 0.710 7.402 6.332 1.00 25.00 C ATOM 2423 O ALA A 160 1.835 6.900 6.221 1.00 25.00 O ATOM 2424 CB ALA A 160 -0.497 7.939 8.510 1.00 25.00 C ATOM 0 H ALA A 160 1.242 5.696 8.032 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.276 6.844 6.937 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -0.882 8.874 8.102 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -1.212 7.533 9.226 1.00 25.00 H new ATOM 0 HB3 ALA A 160 0.452 8.126 9.012 1.00 25.00 H new ATOM 2430 N PHE A 161 0.307 8.270 5.411 1.00 25.00 N ATOM 2431 CA PHE A 161 1.109 8.648 4.226 1.00 25.00 C ATOM 2432 C PHE A 161 1.222 10.159 3.981 1.00 25.00 C ATOM 2433 O PHE A 161 0.245 10.966 4.222 1.00 25.00 O ATOM 2434 CB PHE A 161 0.513 7.942 3.035 1.00 25.00 C ATOM 2435 CG PHE A 161 0.289 6.465 3.305 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -0.940 5.927 3.795 1.00 50.00 C ATOM 2437 CD2 PHE A 161 1.295 5.546 3.045 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -1.183 4.555 4.122 1.00 25.00 C ATOM 2439 CE2 PHE A 161 1.109 4.162 3.336 1.00 25.00 C ATOM 2440 CZ PHE A 161 -0.099 3.678 3.853 1.00 25.00 C ATOM 0 H PHE A 161 -0.595 8.744 5.456 1.00 25.00 H new ATOM 0 HA PHE A 161 2.139 8.337 4.404 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -0.435 8.411 2.772 1.00 25.00 H new ATOM 0 HB3 PHE A 161 1.174 8.058 2.176 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -1.759 6.617 3.931 1.00 50.00 H new ATOM 0 HD2 PHE A 161 2.228 5.882 2.618 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -2.118 4.213 4.541 1.00 25.00 H new ATOM 0 HE2 PHE A 161 1.919 3.471 3.153 1.00 25.00 H new ATOM 0 HZ PHE A 161 -0.208 2.622 4.050 1.00 25.00 H new ATOM 2450 N TYR A 162 2.365 10.542 3.473 1.00 25.00 N ATOM 2451 CA TYR A 162 2.676 11.886 3.041 1.00 25.00 C ATOM 2452 C TYR A 162 3.377 11.651 1.723 1.00 25.00 C ATOM 2453 O TYR A 162 3.800 10.487 1.403 1.00 25.00 O ATOM 2454 CB TYR A 162 3.551 12.549 4.129 1.00 25.00 C ATOM 2455 CG TYR A 162 2.896 12.741 5.502 1.00 25.00 C ATOM 2456 CD1 TYR A 162 2.737 11.710 6.380 1.00 50.00 C ATOM 2457 CD2 TYR A 162 2.465 14.005 5.905 1.00 50.00 C ATOM 2458 CE1 TYR A 162 2.064 11.950 7.655 1.00 25.00 C ATOM 2459 CE2 TYR A 162 1.794 14.252 7.092 1.00 25.00 C ATOM 2460 CZ TYR A 162 1.603 13.215 7.994 1.00 25.00 C ATOM 2461 OH TYR A 162 0.924 13.332 9.221 1.00 25.00 O ATOM 0 H TYR A 162 3.144 9.896 3.342 1.00 25.00 H new ATOM 0 HA TYR A 162 1.834 12.564 2.906 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.450 11.946 4.260 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.872 13.524 3.763 1.00 25.00 H new ATOM 0 HD1 TYR A 162 3.105 10.725 6.135 1.00 50.00 H new ATOM 0 HD2 TYR A 162 2.666 14.842 5.252 1.00 50.00 H new ATOM 0 HE1 TYR A 162 1.923 11.131 8.344 1.00 25.00 H new ATOM 0 HE2 TYR A 162 1.423 15.242 7.313 1.00 25.00 H new ATOM 0 HH TYR A 162 0.648 14.263 9.355 1.00 25.00 H new ATOM 2471 N GLN A 163 3.650 12.692 0.927 1.00 25.00 N ATOM 2472 CA GLN A 163 4.519 12.672 -0.220 1.00 25.00 C ATOM 2473 C GLN A 163 4.805 14.152 -0.528 1.00 25.00 C ATOM 2474 O GLN A 163 4.120 15.028 -0.003 1.00 25.00 O ATOM 2475 CB GLN A 163 3.883 12.014 -1.396 1.00 25.00 C ATOM 2476 CG GLN A 163 2.538 12.517 -1.755 1.00 25.00 C ATOM 2477 CD GLN A 163 1.989 11.912 -3.064 1.00 25.00 C ATOM 2478 OE1 GLN A 163 2.204 12.410 -4.166 1.00 25.00 O ATOM 2479 NE2 GLN A 163 1.311 10.806 -2.990 1.00 25.00 N ATOM 0 H GLN A 163 3.241 13.612 1.088 1.00 25.00 H new ATOM 0 HA GLN A 163 5.424 12.100 -0.014 1.00 25.00 H new ATOM 0 HB2 GLN A 163 4.539 12.135 -2.258 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.811 10.945 -1.198 1.00 25.00 H new ATOM 0 HG2 GLN A 163 1.846 12.295 -0.942 1.00 25.00 H new ATOM 0 HG3 GLN A 163 2.578 13.602 -1.853 1.00 25.00 H new ATOM 0 HE21 GLN A 163 1.125 10.382 -2.081 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.965 10.362 -3.841 1.00 25.00 H new ATOM 2488 N VAL A 164 5.796 14.403 -1.390 1.00 25.00 N ATOM 2489 CA VAL A 164 6.250 15.774 -1.764 1.00 25.00 C ATOM 2490 C VAL A 164 6.682 15.745 -3.266 1.00 25.00 C ATOM 2491 O VAL A 164 7.253 14.735 -3.682 1.00 25.00 O ATOM 2492 CB VAL A 164 7.384 16.159 -0.774 1.00 25.00 C ATOM 2493 CG1 VAL A 164 8.610 15.218 -0.913 1.00 75.00 C ATOM 2494 CG2 VAL A 164 7.730 17.673 -0.867 1.00 75.00 C ATOM 0 H VAL A 164 6.319 13.663 -1.859 1.00 25.00 H new ATOM 0 HA VAL A 164 5.475 16.536 -1.683 1.00 25.00 H new ATOM 0 HB VAL A 164 7.019 16.005 0.242 1.00 25.00 H new ATOM 0 HG11 VAL A 164 9.382 15.519 -0.205 1.00 75.00 H new ATOM 0 HG12 VAL A 164 8.307 14.192 -0.705 1.00 75.00 H new ATOM 0 HG13 VAL A 164 9.004 15.281 -1.927 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.527 17.908 -0.161 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.060 17.909 -1.879 1.00 75.00 H new ATOM 0 HG23 VAL A 164 6.846 18.264 -0.626 1.00 75.00 H new ATOM 2504 N ILE A 165 6.311 16.701 -4.120 1.00 25.00 N ATOM 2505 CA ILE A 165 6.699 16.757 -5.511 1.00 25.00 C ATOM 2506 C ILE A 165 6.918 18.278 -5.723 1.00 25.00 C ATOM 2507 O ILE A 165 6.154 19.013 -5.155 1.00 25.00 O ATOM 2508 CB ILE A 165 5.539 16.247 -6.451 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.243 14.775 -6.158 1.00 25.00 C ATOM 2510 CG2 ILE A 165 5.851 16.511 -7.984 1.00 25.00 C ATOM 2511 CD1 ILE A 165 4.226 14.011 -7.074 1.00 25.00 C ATOM 0 H ILE A 165 5.712 17.479 -3.843 1.00 25.00 H new ATOM 0 HA ILE A 165 7.565 16.136 -5.742 1.00 25.00 H new ATOM 0 HB ILE A 165 4.639 16.823 -6.233 1.00 25.00 H new ATOM 0 HG12 ILE A 165 6.189 14.235 -6.194 1.00 25.00 H new ATOM 0 HG13 ILE A 165 4.877 14.710 -5.133 1.00 25.00 H new ATOM 0 HG21 ILE A 165 5.025 16.143 -8.592 1.00 25.00 H new ATOM 0 HG22 ILE A 165 5.976 17.581 -8.151 1.00 25.00 H new ATOM 0 HG23 ILE A 165 6.767 15.991 -8.264 1.00 25.00 H new ATOM 0 HD11 ILE A 165 4.130 12.981 -6.731 1.00 25.00 H new ATOM 0 HD12 ILE A 165 3.254 14.501 -7.026 1.00 25.00 H new ATOM 0 HD13 ILE A 165 4.586 14.019 -8.103 1.00 25.00 H new ATOM 2523 N ASP A 166 7.865 18.733 -6.565 1.00 25.00 N ATOM 2524 CA ASP A 166 8.120 20.176 -6.784 1.00 25.00 C ATOM 2525 C ASP A 166 7.940 20.473 -8.311 1.00 25.00 C ATOM 2526 O ASP A 166 8.165 19.571 -9.167 1.00 25.00 O ATOM 2527 CB ASP A 166 9.571 20.345 -6.250 1.00 25.00 C ATOM 2528 CG ASP A 166 10.111 21.760 -6.233 1.00 25.00 C ATOM 2529 OD1 ASP A 166 9.836 22.583 -7.087 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.908 22.018 -5.309 1.00 25.00 O1- ATOM 0 H ASP A 166 8.472 18.120 -7.110 1.00 25.00 H new ATOM 0 HA ASP A 166 7.451 20.876 -6.283 1.00 25.00 H new ATOM 0 HB2 ASP A 166 9.612 19.949 -5.235 1.00 25.00 H new ATOM 0 HB3 ASP A 166 10.235 19.731 -6.859 1.00 25.00 H new ATOM 2535 N VAL A 167 7.575 21.665 -8.641 1.00 25.00 N ATOM 2536 CA VAL A 167 7.160 22.009 -10.056 1.00 25.00 C ATOM 2537 C VAL A 167 7.526 23.472 -10.377 1.00 25.00 C ATOM 2538 O VAL A 167 7.648 24.282 -9.465 1.00 25.00 O ATOM 2539 CB VAL A 167 5.582 21.853 -10.243 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.136 20.423 -10.050 1.00 50.00 C ATOM 2541 CG2 VAL A 167 4.797 22.733 -9.285 1.00 50.00 C ATOM 0 H VAL A 167 7.539 22.449 -7.990 1.00 25.00 H new ATOM 0 HA VAL A 167 7.683 21.325 -10.724 1.00 25.00 H new ATOM 0 HB VAL A 167 5.376 22.168 -11.266 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.056 20.357 -10.185 1.00 50.00 H new ATOM 0 HG12 VAL A 167 5.633 19.785 -10.781 1.00 50.00 H new ATOM 0 HG13 VAL A 167 5.396 20.093 -9.044 1.00 50.00 H new ATOM 0 HG21 VAL A 167 3.729 22.591 -9.452 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.043 22.463 -8.258 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.055 23.778 -9.457 1.00 50.00 H new ATOM 2551 N ASP A 168 7.734 23.787 -11.666 1.00 25.00 N ATOM 2552 CA ASP A 168 8.121 25.119 -12.041 1.00 25.00 C ATOM 2553 C ASP A 168 7.158 25.403 -13.171 1.00 25.00 C ATOM 2554 O ASP A 168 7.339 24.872 -14.304 1.00 25.00 O ATOM 2555 CB ASP A 168 9.580 25.138 -12.495 1.00 25.00 C ATOM 2556 CG ASP A 168 10.007 26.553 -12.921 1.00 25.00 C ATOM 2557 OD1 ASP A 168 11.087 26.721 -13.551 1.00 25.00 O ATOM 2558 OD2 ASP A 168 9.249 27.504 -12.580 1.00 25.00 O1- ATOM 0 H ASP A 168 7.637 23.133 -12.443 1.00 25.00 H new ATOM 0 HA ASP A 168 8.072 25.859 -11.243 1.00 25.00 H new ATOM 0 HB2 ASP A 168 10.221 24.789 -11.685 1.00 25.00 H new ATOM 0 HB3 ASP A 168 9.714 24.448 -13.328 1.00 25.00 H new ATOM 2563 N LEU A 169 6.022 26.043 -12.902 1.00 25.00 N ATOM 2564 CA LEU A 169 4.983 26.142 -13.938 1.00 25.00 C ATOM 2565 C LEU A 169 4.913 27.471 -14.619 1.00 25.00 C ATOM 2566 O LEU A 169 4.845 28.480 -13.903 1.00 25.00 O ATOM 2567 CB LEU A 169 3.646 25.738 -13.298 1.00 25.00 C ATOM 2568 CG LEU A 169 3.649 24.424 -12.592 1.00 25.00 C ATOM 2569 CD1 LEU A 169 2.295 24.015 -11.984 1.00 50.00 C ATOM 2570 CD2 LEU A 169 4.139 23.284 -13.512 1.00 50.00 C ATOM 0 H LEU A 169 5.797 26.487 -12.012 1.00 25.00 H new ATOM 0 HA LEU A 169 5.240 25.461 -14.749 1.00 25.00 H new ATOM 0 HB2 LEU A 169 3.353 26.512 -12.589 1.00 25.00 H new ATOM 0 HB3 LEU A 169 2.883 25.712 -14.076 1.00 25.00 H new ATOM 0 HG LEU A 169 4.342 24.575 -11.764 1.00 25.00 H new ATOM 0 HD11 LEU A 169 2.394 23.047 -11.492 1.00 50.00 H new ATOM 0 HD12 LEU A 169 1.983 24.763 -11.255 1.00 50.00 H new ATOM 0 HD13 LEU A 169 1.548 23.945 -12.774 1.00 50.00 H new ATOM 0 HD21 LEU A 169 4.127 22.343 -12.963 1.00 50.00 H new ATOM 0 HD22 LEU A 169 3.481 23.207 -14.378 1.00 50.00 H new ATOM 0 HD23 LEU A 169 5.155 23.497 -13.846 1.00 50.00 H new ATOM 2582 N VAL A 170 5.270 27.484 -15.868 1.00 25.00 N ATOM 2583 CA VAL A 170 5.806 28.737 -16.504 1.00 25.00 C ATOM 2584 C VAL A 170 5.168 29.207 -17.802 1.00 25.00 C ATOM 2585 O VAL A 170 4.373 28.523 -18.475 1.00 25.00 O ATOM 2586 CB VAL A 170 7.375 28.561 -16.769 1.00 25.00 C ATOM 2587 CG1 VAL A 170 8.144 28.323 -15.522 1.00 50.00 C ATOM 2588 CG2 VAL A 170 7.571 27.448 -17.825 1.00 50.00 C ATOM 0 H VAL A 170 5.217 26.678 -16.490 1.00 25.00 H new ATOM 0 HA VAL A 170 5.557 29.510 -15.777 1.00 25.00 H new ATOM 0 HB VAL A 170 7.781 29.494 -17.160 1.00 25.00 H new ATOM 0 HG11 VAL A 170 9.201 28.211 -15.762 1.00 50.00 H new ATOM 0 HG12 VAL A 170 8.013 29.168 -14.847 1.00 50.00 H new ATOM 0 HG13 VAL A 170 7.783 27.414 -15.040 1.00 50.00 H new ATOM 0 HG21 VAL A 170 8.635 27.314 -18.019 1.00 50.00 H new ATOM 0 HG22 VAL A 170 7.149 26.515 -17.452 1.00 50.00 H new ATOM 0 HG23 VAL A 170 7.067 27.730 -18.749 1.00 50.00 H new ATOM 2598 N ASN A 171 5.574 30.376 -18.265 1.00 25.00 N ATOM 2599 CA ASN A 171 5.016 30.960 -19.493 1.00 25.00 C ATOM 2600 C ASN A 171 5.968 30.390 -20.493 1.00 25.00 C ATOM 2601 O ASN A 171 7.142 30.206 -20.187 1.00 25.00 O ATOM 2602 CB ASN A 171 5.046 32.505 -19.579 1.00 25.00 C ATOM 2603 CG ASN A 171 3.986 33.083 -18.788 1.00 25.00 C ATOM 2604 OD1 ASN A 171 3.421 32.515 -17.841 1.00 25.00 O ATOM 2605 ND2 ASN A 171 3.673 34.358 -19.045 1.00 25.00 N ATOM 0 H ASN A 171 6.289 30.948 -17.815 1.00 25.00 H new ATOM 0 HA ASN A 171 3.955 30.736 -19.606 1.00 25.00 H new ATOM 0 HB2 ASN A 171 6.010 32.875 -19.229 1.00 25.00 H new ATOM 0 HB3 ASN A 171 4.943 32.818 -20.618 1.00 25.00 H new ATOM 0 HD21 ASN A 171 2.984 34.840 -18.468 1.00 25.00 H new ATOM 0 HD22 ASN A 171 4.123 34.848 -19.818 1.00 25.00 H new ATOM 2612 N LYS A 172 5.492 30.102 -21.720 1.00 25.00 N ATOM 2613 CA LYS A 172 6.344 29.755 -22.871 1.00 25.00 C ATOM 2614 C LYS A 172 7.431 30.790 -23.248 1.00 25.00 C ATOM 2615 O LYS A 172 7.057 31.985 -23.452 1.00 25.00 O ATOM 2616 CB LYS A 172 5.478 29.391 -24.091 1.00 25.00 C ATOM 2617 CG LYS A 172 6.151 28.976 -25.387 1.00 25.00 C ATOM 2618 CD LYS A 172 6.692 27.633 -25.333 1.00 25.00 C ATOM 2619 CE LYS A 172 7.193 27.053 -26.672 1.00 25.00 C ATOM 2620 NZ LYS A 172 8.231 27.945 -27.339 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 8.629 30.427 -23.444 1.00 25.00 O1- ATOM 0 H LYS A 172 4.496 30.104 -21.941 1.00 25.00 H new ATOM 0 HA LYS A 172 6.914 28.887 -22.540 1.00 25.00 H new ATOM 0 HB2 LYS A 172 4.816 28.578 -23.791 1.00 25.00 H new ATOM 0 HB3 LYS A 172 4.846 30.251 -24.312 1.00 25.00 H new ATOM 0 HG2 LYS A 172 5.430 29.040 -26.202 1.00 25.00 H new ATOM 0 HG3 LYS A 172 6.954 29.677 -25.615 1.00 25.00 H new ATOM 0 HD2 LYS A 172 7.519 27.624 -24.623 1.00 25.00 H new ATOM 0 HD3 LYS A 172 5.924 26.969 -24.936 1.00 25.00 H new ATOM 0 HE2 LYS A 172 7.623 26.066 -26.499 1.00 25.00 H new ATOM 0 HE3 LYS A 172 6.347 26.918 -27.346 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 8.536 27.513 -28.234 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 7.815 28.879 -27.530 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 9.052 28.053 -26.709 1.00 25.00 H new