USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1063 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 85 MET CE :methyl 165:sc= -4.09 (180deg=-4.42!) USER MOD Set 1.2: A 146 SER OG : rot 95:sc= 1.27 USER MOD Set 2.1: A 58 ASN : amide:sc= 0.761 K(o=3.1,f=-4.9) USER MOD Set 2.2: A 59 ASN :FLIP amide:sc= 2.34 F(o=-4.9!,f=3.1) USER MOD Set 3.1: A 8 GLN :FLIP amide:sc= -0.225 F(o=-5.3,f=-3.6) USER MOD Set 3.2: A 41 GLN :FLIP amide:sc= -1.07 F(o=-5.1,f=-3.6) USER MOD Set 3.3: A 72 MET CE :methyl -131:sc= -2.16 (180deg=-2.79) USER MOD Set 3.4: A 76 MET CE :methyl -116:sc= -0.187 (180deg=-0.209) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0.0375 USER MOD Set 4.2: A 62 GLN :FLIP amide:sc= -5.2! C(o=-8!,f=-5.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0476 (180deg=-0.335) USER MOD Single : A 18 GLN : amide:sc= -1.88! C(o=-1.9!,f=-3.7!) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0763) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 155:sc= -1.06 (180deg=-2.26!) USER MOD Single : A 38 THR OG1 : rot -21:sc= 0.156 USER MOD Single : A 42 ASN : amide:sc= -0.0354 K(o=-0.035,f=-0.65) USER MOD Single : A 44 THR OG1 : rot -84:sc= -0.464 USER MOD Single : A 49 GLN : amide:sc= -0.0662 K(o=-0.066,f=-0.7) USER MOD Single : A 57 ASN :FLIP amide:sc= -1.06 F(o=-6.3!,f=-1.1) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.622 F(o=-4.2!,f=-0.62) USER MOD Single : A 64 ASN : amide:sc= -4.28 X(o=-4.3,f=-3.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 69 CYS SG : rot -26:sc= -0.0956 USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= -0.0666 (180deg=-0.446) USER MOD Single : A 75 GLN : amide:sc= -4.39! C(o=-4.4!,f=-6.4!) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0528) USER MOD Single : A 101 SER OG : rot 180:sc= -1.68! USER MOD Single : A 109 MET CE :methyl -161:sc= -11.7! (180deg=-12.9!) USER MOD Single : A 111 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.7!) USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0597 (180deg=-0.382) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 124 MET CE :methyl 132:sc= -0.287 (180deg=-0.784) USER MOD Single : A 135 MET CE :methyl -167:sc= -0.563 (180deg=-1.4) USER MOD Single : A 137 ASN : amide:sc= -1.81 K(o=-1.8,f=-7.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl -128:sc= -1.91 (180deg=-3.06!) USER MOD Single : A 147 GLN : amide:sc= 0.59 K(o=0.59,f=-0.75) USER MOD Single : A 148 LYS NZ :NH3+ -129:sc= 0.011 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 10.250 -13.550 4.670 1.00 0.87 N ATOM 13 CA GLU A 3 11.447 -14.371 4.577 1.00 0.57 C ATOM 14 C GLU A 3 12.713 -13.529 4.514 1.00 0.48 C ATOM 15 O GLU A 3 13.025 -12.919 3.492 1.00 0.55 O ATOM 16 CB GLU A 3 11.393 -15.306 3.371 1.00 0.70 C ATOM 17 CG GLU A 3 10.848 -14.662 2.108 1.00 1.23 C ATOM 18 CD GLU A 3 9.352 -14.857 1.955 1.00 1.78 C ATOM 19 OE1 GLU A 3 8.587 -14.147 2.639 1.00 2.49 O ATOM 20 OE2 GLU A 3 8.947 -15.725 1.153 1.00 2.20 O ATOM 0 HA GLU A 3 11.478 -14.970 5.487 1.00 0.57 H new ATOM 0 HB2 GLU A 3 12.397 -15.680 3.170 1.00 0.70 H new ATOM 0 HB3 GLU A 3 10.775 -16.168 3.621 1.00 0.70 H new ATOM 0 HG2 GLU A 3 11.072 -13.595 2.122 1.00 1.23 H new ATOM 0 HG3 GLU A 3 11.357 -15.083 1.241 1.00 1.23 H new ATOM 27 N LEU A 4 13.436 -13.516 5.621 1.00 0.44 N ATOM 28 CA LEU A 4 14.690 -12.784 5.725 1.00 0.39 C ATOM 29 C LEU A 4 15.831 -13.770 5.956 1.00 0.37 C ATOM 30 O LEU A 4 16.530 -13.709 6.967 1.00 0.45 O ATOM 31 CB LEU A 4 14.628 -11.766 6.871 1.00 0.47 C ATOM 32 CG LEU A 4 14.050 -10.393 6.510 1.00 0.43 C ATOM 33 CD1 LEU A 4 14.913 -9.704 5.466 1.00 1.12 C ATOM 34 CD2 LEU A 4 12.618 -10.515 6.015 1.00 1.25 C ATOM 0 H LEU A 4 13.172 -14.011 6.473 1.00 0.44 H new ATOM 0 HA LEU A 4 14.863 -12.239 4.797 1.00 0.39 H new ATOM 0 HB2 LEU A 4 14.030 -12.191 7.678 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.636 -11.624 7.261 1.00 0.47 H new ATOM 0 HG LEU A 4 14.047 -9.785 7.414 1.00 0.43 H new ATOM 0 HD11 LEU A 4 14.485 -8.731 5.224 1.00 1.12 H new ATOM 0 HD12 LEU A 4 15.921 -9.569 5.858 1.00 1.12 H new ATOM 0 HD13 LEU A 4 14.953 -10.317 4.565 1.00 1.12 H new ATOM 0 HD21 LEU A 4 12.233 -9.526 5.766 1.00 1.25 H new ATOM 0 HD22 LEU A 4 12.592 -11.148 5.128 1.00 1.25 H new ATOM 0 HD23 LEU A 4 12.000 -10.959 6.795 1.00 1.25 H new ATOM 46 N THR A 5 16.004 -14.685 5.005 1.00 0.35 N ATOM 47 CA THR A 5 17.038 -15.709 5.097 1.00 0.37 C ATOM 48 C THR A 5 18.420 -15.127 4.817 1.00 0.35 C ATOM 49 O THR A 5 18.540 -14.097 4.165 1.00 0.39 O ATOM 50 CB THR A 5 16.759 -16.867 4.116 1.00 0.40 C ATOM 51 OG1 THR A 5 15.470 -17.431 4.384 1.00 0.46 O ATOM 52 CG2 THR A 5 17.819 -17.955 4.228 1.00 0.47 C ATOM 0 H THR A 5 15.438 -14.737 4.158 1.00 0.35 H new ATOM 0 HA THR A 5 17.019 -16.094 6.117 1.00 0.37 H new ATOM 0 HB THR A 5 16.785 -16.463 3.104 1.00 0.40 H new ATOM 0 HG1 THR A 5 15.297 -18.164 3.757 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.594 -18.756 3.524 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.798 -17.534 3.998 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.825 -18.354 5.242 1.00 0.47 H new ATOM 60 N GLU A 6 19.453 -15.796 5.323 1.00 0.36 N ATOM 61 CA GLU A 6 20.837 -15.355 5.142 1.00 0.37 C ATOM 62 C GLU A 6 21.094 -14.825 3.730 1.00 0.33 C ATOM 63 O GLU A 6 21.677 -13.753 3.558 1.00 0.34 O ATOM 64 CB GLU A 6 21.790 -16.515 5.438 1.00 0.45 C ATOM 65 CG GLU A 6 21.454 -17.789 4.679 1.00 0.87 C ATOM 66 CD GLU A 6 22.386 -18.934 5.019 1.00 0.98 C ATOM 67 OE1 GLU A 6 22.182 -19.574 6.073 1.00 1.17 O ATOM 68 OE2 GLU A 6 23.321 -19.194 4.231 1.00 1.20 O ATOM 0 H GLU A 6 19.358 -16.654 5.867 1.00 0.36 H new ATOM 0 HA GLU A 6 21.015 -14.536 5.838 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.807 -16.211 5.189 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.773 -16.724 6.508 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.428 -18.081 4.904 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.502 -17.593 3.608 1.00 0.87 H new ATOM 75 N GLU A 7 20.652 -15.575 2.726 1.00 0.34 N ATOM 76 CA GLU A 7 20.848 -15.187 1.333 1.00 0.35 C ATOM 77 C GLU A 7 20.003 -13.968 0.976 1.00 0.30 C ATOM 78 O GLU A 7 20.481 -13.040 0.324 1.00 0.30 O ATOM 79 CB GLU A 7 20.505 -16.356 0.408 1.00 0.44 C ATOM 80 CG GLU A 7 19.085 -16.872 0.571 1.00 0.47 C ATOM 81 CD GLU A 7 18.788 -18.056 -0.329 1.00 0.57 C ATOM 82 OE1 GLU A 7 18.504 -17.836 -1.525 1.00 0.64 O ATOM 83 OE2 GLU A 7 18.838 -19.202 0.162 1.00 0.61 O ATOM 0 H GLU A 7 20.155 -16.457 2.851 1.00 0.34 H new ATOM 0 HA GLU A 7 21.897 -14.921 1.200 1.00 0.35 H new ATOM 0 HB2 GLU A 7 20.652 -16.044 -0.626 1.00 0.44 H new ATOM 0 HB3 GLU A 7 21.202 -17.173 0.596 1.00 0.44 H new ATOM 0 HG2 GLU A 7 18.924 -17.161 1.610 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.383 -16.068 0.351 1.00 0.47 H new ATOM 90 N GLN A 8 18.747 -13.982 1.403 1.00 0.30 N ATOM 91 CA GLN A 8 17.833 -12.879 1.137 1.00 0.30 C ATOM 92 C GLN A 8 18.354 -11.586 1.751 1.00 0.25 C ATOM 93 O GLN A 8 18.421 -10.555 1.084 1.00 0.24 O ATOM 94 CB GLN A 8 16.447 -13.205 1.696 1.00 0.35 C ATOM 95 CG GLN A 8 15.672 -14.207 0.854 1.00 0.45 C ATOM 96 CD GLN A 8 15.427 -13.717 -0.560 1.00 0.72 C ATOM 97 OE1 GLN A 8 15.295 -12.405 -0.721 1.00 1.32 O flip ATOM 98 NE2 GLN A 8 15.355 -14.511 -1.499 1.00 1.02 N flip ATOM 0 H GLN A 8 18.337 -14.748 1.937 1.00 0.30 H new ATOM 0 HA GLN A 8 17.761 -12.741 0.058 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.555 -13.599 2.707 1.00 0.35 H new ATOM 0 HB3 GLN A 8 15.869 -12.284 1.773 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.222 -15.148 0.818 1.00 0.45 H new ATOM 0 HG3 GLN A 8 14.715 -14.415 1.333 1.00 0.45 H new ATOM 0 HE21 GLN A 8 15.462 -15.511 -1.330 1.00 1.02 H new ATOM 0 HE22 GLN A 8 15.188 -14.168 -2.445 1.00 1.02 H new ATOM 107 N ILE A 9 18.730 -11.654 3.022 1.00 0.25 N ATOM 108 CA ILE A 9 19.245 -10.494 3.732 1.00 0.26 C ATOM 109 C ILE A 9 20.455 -9.910 3.018 1.00 0.25 C ATOM 110 O ILE A 9 20.531 -8.706 2.800 1.00 0.27 O ATOM 111 CB ILE A 9 19.633 -10.844 5.184 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.389 -11.240 5.983 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.346 -9.669 5.843 1.00 0.34 C ATOM 114 CD1 ILE A 9 18.687 -11.668 7.404 1.00 0.45 C ATOM 0 H ILE A 9 18.687 -12.505 3.583 1.00 0.25 H new ATOM 0 HA ILE A 9 18.445 -9.754 3.751 1.00 0.26 H new ATOM 0 HB ILE A 9 20.318 -11.692 5.169 1.00 0.32 H new ATOM 0 HG12 ILE A 9 17.699 -10.397 6.005 1.00 0.37 H new ATOM 0 HG13 ILE A 9 17.881 -12.055 5.467 1.00 0.37 H new ATOM 0 HG21 ILE A 9 20.613 -9.933 6.866 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.250 -9.431 5.282 1.00 0.34 H new ATOM 0 HG23 ILE A 9 19.686 -8.802 5.852 1.00 0.34 H new ATOM 0 HD11 ILE A 9 17.757 -11.933 7.907 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.352 -12.531 7.392 1.00 0.45 H new ATOM 0 HD13 ILE A 9 19.167 -10.848 7.938 1.00 0.45 H new ATOM 126 N ALA A 10 21.387 -10.778 2.642 1.00 0.26 N ATOM 127 CA ALA A 10 22.603 -10.352 1.964 1.00 0.28 C ATOM 128 C ALA A 10 22.319 -9.928 0.528 1.00 0.24 C ATOM 129 O ALA A 10 23.117 -9.226 -0.093 1.00 0.25 O ATOM 130 CB ALA A 10 23.631 -11.473 1.993 1.00 0.36 C ATOM 0 H ALA A 10 21.322 -11.784 2.796 1.00 0.26 H new ATOM 0 HA ALA A 10 23.002 -9.486 2.492 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.538 -11.148 1.484 1.00 0.36 H new ATOM 0 HB2 ALA A 10 23.865 -11.725 3.027 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.227 -12.351 1.488 1.00 0.36 H new ATOM 136 N GLU A 11 21.170 -10.348 0.009 1.00 0.24 N ATOM 137 CA GLU A 11 20.788 -10.026 -1.359 1.00 0.25 C ATOM 138 C GLU A 11 20.441 -8.546 -1.515 1.00 0.22 C ATOM 139 O GLU A 11 21.054 -7.835 -2.318 1.00 0.22 O ATOM 140 CB GLU A 11 19.597 -10.890 -1.778 1.00 0.31 C ATOM 141 CG GLU A 11 19.080 -10.580 -3.171 1.00 0.40 C ATOM 142 CD GLU A 11 20.002 -11.084 -4.263 1.00 1.06 C ATOM 143 OE1 GLU A 11 20.918 -10.333 -4.660 1.00 1.93 O ATOM 144 OE2 GLU A 11 19.809 -12.229 -4.722 1.00 1.02 O ATOM 0 H GLU A 11 20.488 -10.912 0.516 1.00 0.24 H new ATOM 0 HA GLU A 11 21.640 -10.236 -2.005 1.00 0.25 H new ATOM 0 HB2 GLU A 11 19.887 -11.940 -1.733 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.788 -10.751 -1.060 1.00 0.31 H new ATOM 0 HG2 GLU A 11 18.095 -11.029 -3.297 1.00 0.40 H new ATOM 0 HG3 GLU A 11 18.954 -9.502 -3.276 1.00 0.40 H new ATOM 151 N PHE A 12 19.472 -8.072 -0.735 1.00 0.21 N ATOM 152 CA PHE A 12 19.069 -6.675 -0.813 1.00 0.23 C ATOM 153 C PHE A 12 20.052 -5.795 -0.057 1.00 0.20 C ATOM 154 O PHE A 12 20.191 -4.609 -0.355 1.00 0.22 O ATOM 155 CB PHE A 12 17.642 -6.474 -0.296 1.00 0.29 C ATOM 156 CG PHE A 12 17.418 -6.916 1.118 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.798 -6.104 2.173 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.845 -8.145 1.395 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.606 -6.508 3.476 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.651 -8.554 2.697 1.00 0.28 C ATOM 161 CZ PHE A 12 16.979 -7.730 3.731 1.00 0.33 C ATOM 0 H PHE A 12 18.959 -8.628 -0.051 1.00 0.21 H new ATOM 0 HA PHE A 12 19.079 -6.380 -1.862 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.387 -5.417 -0.376 1.00 0.29 H new ATOM 0 HB3 PHE A 12 16.955 -7.018 -0.945 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.250 -5.144 1.972 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.547 -8.791 0.582 1.00 0.27 H new ATOM 0 HE1 PHE A 12 17.937 -5.885 4.294 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.237 -9.531 2.898 1.00 0.28 H new ATOM 0 HZ PHE A 12 16.755 -8.021 4.747 1.00 0.33 H new ATOM 171 N LYS A 13 20.733 -6.379 0.925 1.00 0.18 N ATOM 172 CA LYS A 13 21.728 -5.646 1.693 1.00 0.21 C ATOM 173 C LYS A 13 22.863 -5.232 0.768 1.00 0.19 C ATOM 174 O LYS A 13 23.450 -4.159 0.923 1.00 0.24 O ATOM 175 CB LYS A 13 22.258 -6.501 2.849 1.00 0.26 C ATOM 176 CG LYS A 13 23.550 -5.982 3.466 1.00 0.31 C ATOM 177 CD LYS A 13 23.350 -4.626 4.122 1.00 0.40 C ATOM 178 CE LYS A 13 24.623 -4.139 4.793 1.00 0.68 C ATOM 179 NZ LYS A 13 25.101 -5.089 5.836 1.00 1.53 N ATOM 0 H LYS A 13 20.613 -7.353 1.205 1.00 0.18 H new ATOM 0 HA LYS A 13 21.268 -4.756 2.123 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.494 -6.557 3.625 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.422 -7.517 2.490 1.00 0.26 H new ATOM 0 HG2 LYS A 13 23.913 -6.695 4.206 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.317 -5.905 2.695 1.00 0.31 H new ATOM 0 HD2 LYS A 13 23.032 -3.901 3.372 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.551 -4.692 4.860 1.00 0.40 H new ATOM 0 HE2 LYS A 13 25.401 -4.004 4.041 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.444 -3.163 5.245 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 25.782 -4.608 6.458 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 24.293 -5.422 6.399 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 25.563 -5.901 5.380 1.00 1.53 H new ATOM 193 N ASP A 14 23.164 -6.095 -0.201 1.00 0.16 N ATOM 194 CA ASP A 14 24.208 -5.810 -1.170 1.00 0.19 C ATOM 195 C ASP A 14 23.747 -4.694 -2.096 1.00 0.18 C ATOM 196 O ASP A 14 24.437 -3.687 -2.272 1.00 0.20 O ATOM 197 CB ASP A 14 24.546 -7.062 -1.981 1.00 0.23 C ATOM 198 CG ASP A 14 25.652 -6.817 -2.989 1.00 0.30 C ATOM 199 OD1 ASP A 14 26.836 -6.949 -2.614 1.00 0.38 O ATOM 200 OD2 ASP A 14 25.335 -6.492 -4.152 1.00 0.39 O ATOM 0 H ASP A 14 22.699 -6.993 -0.332 1.00 0.16 H new ATOM 0 HA ASP A 14 25.107 -5.494 -0.640 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.847 -7.861 -1.303 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.653 -7.406 -2.502 1.00 0.23 H new ATOM 205 N ALA A 15 22.566 -4.874 -2.678 1.00 0.17 N ATOM 206 CA ALA A 15 22.002 -3.874 -3.572 1.00 0.19 C ATOM 207 C ALA A 15 21.755 -2.566 -2.824 1.00 0.20 C ATOM 208 O ALA A 15 21.524 -1.524 -3.435 1.00 0.24 O ATOM 209 CB ALA A 15 20.709 -4.386 -4.191 1.00 0.22 C ATOM 0 H ALA A 15 21.984 -5.701 -2.546 1.00 0.17 H new ATOM 0 HA ALA A 15 22.717 -3.683 -4.372 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.299 -3.627 -4.857 1.00 0.22 H new ATOM 0 HB2 ALA A 15 20.912 -5.295 -4.758 1.00 0.22 H new ATOM 0 HB3 ALA A 15 19.989 -4.603 -3.402 1.00 0.22 H new ATOM 215 N PHE A 16 21.807 -2.634 -1.495 1.00 0.21 N ATOM 216 CA PHE A 16 21.579 -1.465 -0.649 1.00 0.25 C ATOM 217 C PHE A 16 22.825 -0.590 -0.572 1.00 0.23 C ATOM 218 O PHE A 16 22.747 0.627 -0.734 1.00 0.24 O ATOM 219 CB PHE A 16 21.157 -1.913 0.754 1.00 0.31 C ATOM 220 CG PHE A 16 21.131 -0.807 1.771 1.00 0.35 C ATOM 221 CD1 PHE A 16 20.166 0.185 1.715 1.00 0.43 C ATOM 222 CD2 PHE A 16 22.073 -0.766 2.787 1.00 0.41 C ATOM 223 CE1 PHE A 16 20.142 1.199 2.655 1.00 0.52 C ATOM 224 CE2 PHE A 16 22.052 0.244 3.730 1.00 0.50 C ATOM 225 CZ PHE A 16 21.086 1.228 3.664 1.00 0.54 C ATOM 0 H PHE A 16 22.006 -3.491 -0.979 1.00 0.21 H new ATOM 0 HA PHE A 16 20.780 -0.871 -1.092 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.166 -2.363 0.697 1.00 0.31 H new ATOM 0 HB3 PHE A 16 21.840 -2.690 1.096 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.425 0.166 0.930 1.00 0.43 H new ATOM 0 HD2 PHE A 16 22.832 -1.532 2.842 1.00 0.41 H new ATOM 0 HE1 PHE A 16 19.386 1.968 2.601 1.00 0.52 H new ATOM 0 HE2 PHE A 16 22.791 0.263 4.518 1.00 0.50 H new ATOM 0 HZ PHE A 16 21.068 2.019 4.399 1.00 0.54 H new ATOM 235 N VAL A 17 23.973 -1.212 -0.324 1.00 0.23 N ATOM 236 CA VAL A 17 25.226 -0.476 -0.226 1.00 0.24 C ATOM 237 C VAL A 17 25.638 0.073 -1.584 1.00 0.23 C ATOM 238 O VAL A 17 26.397 1.037 -1.673 1.00 0.28 O ATOM 239 CB VAL A 17 26.361 -1.354 0.334 1.00 0.28 C ATOM 240 CG1 VAL A 17 26.127 -1.653 1.806 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.490 -2.642 -0.464 1.00 0.76 C ATOM 0 H VAL A 17 24.061 -2.219 -0.188 1.00 0.23 H new ATOM 0 HA VAL A 17 25.056 0.351 0.464 1.00 0.24 H new ATOM 0 HB VAL A 17 27.297 -0.804 0.241 1.00 0.28 H new ATOM 0 HG11 VAL A 17 26.939 -2.274 2.185 1.00 0.90 H new ATOM 0 HG12 VAL A 17 26.094 -0.719 2.366 1.00 0.90 H new ATOM 0 HG13 VAL A 17 25.181 -2.181 1.924 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.298 -3.247 -0.051 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.555 -3.199 -0.409 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.710 -2.405 -1.505 1.00 0.76 H new ATOM 251 N GLN A 18 25.131 -0.552 -2.641 1.00 0.20 N ATOM 252 CA GLN A 18 25.437 -0.126 -4.001 1.00 0.21 C ATOM 253 C GLN A 18 24.945 1.296 -4.268 1.00 0.21 C ATOM 254 O GLN A 18 25.500 2.001 -5.111 1.00 0.26 O ATOM 255 CB GLN A 18 24.809 -1.088 -5.009 1.00 0.24 C ATOM 256 CG GLN A 18 25.423 -2.477 -4.994 1.00 0.29 C ATOM 257 CD GLN A 18 24.747 -3.426 -5.963 1.00 1.04 C ATOM 258 OE1 GLN A 18 23.571 -3.266 -6.289 1.00 1.86 O ATOM 259 NE2 GLN A 18 25.488 -4.425 -6.426 1.00 1.60 N ATOM 0 H GLN A 18 24.506 -1.356 -2.582 1.00 0.20 H new ATOM 0 HA GLN A 18 26.521 -0.136 -4.115 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.742 -1.170 -4.803 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.909 -0.667 -6.010 1.00 0.24 H new ATOM 0 HG2 GLN A 18 26.482 -2.404 -5.242 1.00 0.29 H new ATOM 0 HG3 GLN A 18 25.359 -2.887 -3.986 1.00 0.29 H new ATOM 0 HE21 GLN A 18 26.459 -4.520 -6.129 1.00 1.60 H new ATOM 0 HE22 GLN A 18 25.086 -5.098 -7.079 1.00 1.60 H new ATOM 268 N PHE A 19 23.905 1.716 -3.549 1.00 0.22 N ATOM 269 CA PHE A 19 23.349 3.056 -3.730 1.00 0.25 C ATOM 270 C PHE A 19 23.789 4.005 -2.618 1.00 0.23 C ATOM 271 O PHE A 19 23.272 5.118 -2.502 1.00 0.32 O ATOM 272 CB PHE A 19 21.821 3.000 -3.799 1.00 0.29 C ATOM 273 CG PHE A 19 21.304 2.336 -5.045 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.205 3.043 -6.232 1.00 0.64 C ATOM 275 CD2 PHE A 19 20.914 1.006 -5.027 1.00 0.44 C ATOM 276 CE1 PHE A 19 20.727 2.436 -7.378 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.434 0.394 -6.170 1.00 0.46 C ATOM 278 CZ PHE A 19 20.353 1.106 -7.349 1.00 0.42 C ATOM 0 H PHE A 19 23.434 1.153 -2.841 1.00 0.22 H new ATOM 0 HA PHE A 19 23.734 3.443 -4.673 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.445 2.464 -2.928 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.425 4.014 -3.745 1.00 0.29 H new ATOM 0 HD1 PHE A 19 21.505 4.080 -6.262 1.00 0.64 H new ATOM 0 HD2 PHE A 19 20.986 0.441 -4.109 1.00 0.44 H new ATOM 0 HE1 PHE A 19 20.646 3.001 -8.295 1.00 0.69 H new ATOM 0 HE2 PHE A 19 20.123 -0.640 -6.140 1.00 0.46 H new ATOM 0 HZ PHE A 19 19.998 0.625 -8.248 1.00 0.42 H new ATOM 288 N ASP A 20 24.744 3.567 -1.804 1.00 0.25 N ATOM 289 CA ASP A 20 25.257 4.394 -0.716 1.00 0.24 C ATOM 290 C ASP A 20 25.989 5.611 -1.274 1.00 0.24 C ATOM 291 O ASP A 20 27.133 5.507 -1.715 1.00 0.29 O ATOM 292 CB ASP A 20 26.197 3.573 0.172 1.00 0.28 C ATOM 293 CG ASP A 20 26.958 4.432 1.164 1.00 0.32 C ATOM 294 OD1 ASP A 20 26.411 4.706 2.253 1.00 0.37 O ATOM 295 OD2 ASP A 20 28.099 4.830 0.852 1.00 0.37 O ATOM 0 H ASP A 20 25.178 2.647 -1.876 1.00 0.25 H new ATOM 0 HA ASP A 20 24.416 4.739 -0.114 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.618 2.825 0.714 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.906 3.034 -0.456 1.00 0.28 H new ATOM 300 N LYS A 21 25.325 6.768 -1.254 1.00 0.24 N ATOM 301 CA LYS A 21 25.920 7.993 -1.780 1.00 0.30 C ATOM 302 C LYS A 21 26.569 8.835 -0.684 1.00 0.29 C ATOM 303 O LYS A 21 27.788 9.012 -0.668 1.00 0.33 O ATOM 304 CB LYS A 21 24.863 8.815 -2.518 1.00 0.36 C ATOM 305 CG LYS A 21 24.393 8.164 -3.807 1.00 0.90 C ATOM 306 CD LYS A 21 25.477 8.191 -4.873 1.00 1.04 C ATOM 307 CE LYS A 21 25.084 7.365 -6.088 1.00 1.70 C ATOM 308 NZ LYS A 21 23.831 7.862 -6.719 1.00 2.47 N ATOM 0 H LYS A 21 24.382 6.880 -0.882 1.00 0.24 H new ATOM 0 HA LYS A 21 26.707 7.701 -2.475 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.006 8.967 -1.862 1.00 0.36 H new ATOM 0 HB3 LYS A 21 25.270 9.801 -2.744 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.101 7.133 -3.609 1.00 0.90 H new ATOM 0 HG3 LYS A 21 23.507 8.681 -4.175 1.00 0.90 H new ATOM 0 HD2 LYS A 21 25.664 9.221 -5.177 1.00 1.04 H new ATOM 0 HD3 LYS A 21 26.408 7.807 -4.456 1.00 1.04 H new ATOM 0 HE2 LYS A 21 25.892 7.389 -6.819 1.00 1.70 H new ATOM 0 HE3 LYS A 21 24.953 6.324 -5.792 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 23.681 7.373 -7.625 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 23.026 7.675 -6.087 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 23.909 8.885 -6.887 1.00 2.47 H new ATOM 322 N GLU A 22 25.753 9.357 0.228 1.00 0.27 N ATOM 323 CA GLU A 22 26.253 10.194 1.317 1.00 0.29 C ATOM 324 C GLU A 22 27.339 9.485 2.122 1.00 0.31 C ATOM 325 O GLU A 22 28.179 10.130 2.748 1.00 0.41 O ATOM 326 CB GLU A 22 25.107 10.605 2.243 1.00 0.31 C ATOM 327 CG GLU A 22 24.044 11.448 1.557 1.00 0.35 C ATOM 328 CD GLU A 22 24.588 12.766 1.040 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.628 13.739 1.822 1.00 0.93 O ATOM 330 OE2 GLU A 22 24.974 12.824 -0.146 1.00 0.44 O ATOM 0 H GLU A 22 24.743 9.216 0.235 1.00 0.27 H new ATOM 0 HA GLU A 22 26.693 11.084 0.868 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.641 9.708 2.651 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.514 11.164 3.086 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.618 10.884 0.727 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.233 11.644 2.258 1.00 0.35 H new ATOM 337 N GLY A 23 27.318 8.156 2.103 1.00 0.31 N ATOM 338 CA GLY A 23 28.309 7.391 2.837 1.00 0.34 C ATOM 339 C GLY A 23 28.022 7.341 4.325 1.00 0.34 C ATOM 340 O GLY A 23 28.818 6.808 5.099 1.00 0.39 O ATOM 0 H GLY A 23 26.634 7.596 1.594 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.343 6.375 2.443 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.294 7.829 2.675 1.00 0.34 H new ATOM 344 N THR A 24 26.882 7.896 4.723 1.00 0.34 N ATOM 345 CA THR A 24 26.487 7.913 6.127 1.00 0.38 C ATOM 346 C THR A 24 25.780 6.618 6.510 1.00 0.36 C ATOM 347 O THR A 24 24.854 6.622 7.323 1.00 0.40 O ATOM 348 CB THR A 24 25.547 9.097 6.429 1.00 0.41 C ATOM 349 OG1 THR A 24 24.326 8.953 5.695 1.00 1.23 O ATOM 350 CG2 THR A 24 26.205 10.419 6.066 1.00 1.39 C ATOM 0 H THR A 24 26.215 8.340 4.092 1.00 0.34 H new ATOM 0 HA THR A 24 27.400 8.019 6.713 1.00 0.38 H new ATOM 0 HB THR A 24 25.333 9.096 7.498 1.00 0.41 H new ATOM 0 HG1 THR A 24 23.734 9.708 5.894 1.00 1.23 H new ATOM 0 HG21 THR A 24 25.522 11.239 6.288 1.00 1.39 H new ATOM 0 HG22 THR A 24 27.120 10.542 6.646 1.00 1.39 H new ATOM 0 HG23 THR A 24 26.446 10.426 5.003 1.00 1.39 H new ATOM 358 N GLY A 25 26.221 5.509 5.922 1.00 0.34 N ATOM 359 CA GLY A 25 25.603 4.227 6.206 1.00 0.37 C ATOM 360 C GLY A 25 24.145 4.209 5.794 1.00 0.31 C ATOM 361 O GLY A 25 23.399 3.295 6.145 1.00 0.36 O ATOM 0 H GLY A 25 26.993 5.476 5.256 1.00 0.34 H new ATOM 0 HA2 GLY A 25 26.141 3.438 5.679 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.684 4.011 7.271 1.00 0.37 H new ATOM 365 N LYS A 26 23.747 5.232 5.043 1.00 0.27 N ATOM 366 CA LYS A 26 22.377 5.362 4.575 1.00 0.23 C ATOM 367 C LYS A 26 22.350 5.766 3.103 1.00 0.21 C ATOM 368 O LYS A 26 23.310 6.347 2.598 1.00 0.24 O ATOM 369 CB LYS A 26 21.632 6.392 5.426 1.00 0.25 C ATOM 370 CG LYS A 26 21.503 5.979 6.882 1.00 0.29 C ATOM 371 CD LYS A 26 20.730 6.999 7.707 1.00 0.51 C ATOM 372 CE LYS A 26 19.313 7.189 7.193 1.00 0.89 C ATOM 373 NZ LYS A 26 18.568 8.214 7.976 1.00 1.58 N ATOM 0 H LYS A 26 24.363 5.988 4.745 1.00 0.27 H new ATOM 0 HA LYS A 26 21.879 4.397 4.673 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.154 7.347 5.370 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.637 6.548 5.009 1.00 0.25 H new ATOM 0 HG2 LYS A 26 21.001 5.013 6.940 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.497 5.848 7.309 1.00 0.29 H new ATOM 0 HD2 LYS A 26 20.698 6.675 8.747 1.00 0.51 H new ATOM 0 HD3 LYS A 26 21.254 7.954 7.687 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.344 7.486 6.145 1.00 0.89 H new ATOM 0 HE3 LYS A 26 18.780 6.239 7.240 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 17.606 8.312 7.592 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 18.515 7.919 8.972 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 19.062 9.127 7.911 1.00 1.58 H new ATOM 387 N ILE A 27 21.255 5.448 2.417 1.00 0.19 N ATOM 388 CA ILE A 27 21.131 5.779 0.999 1.00 0.20 C ATOM 389 C ILE A 27 19.972 6.729 0.745 1.00 0.19 C ATOM 390 O ILE A 27 19.022 6.792 1.525 1.00 0.23 O ATOM 391 CB ILE A 27 20.962 4.517 0.129 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.534 3.972 0.223 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.964 3.455 0.551 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.938 3.626 -1.122 1.00 0.54 C ATOM 0 H ILE A 27 20.448 4.967 2.814 1.00 0.19 H new ATOM 0 HA ILE A 27 22.060 6.274 0.717 1.00 0.20 H new ATOM 0 HB ILE A 27 21.150 4.789 -0.910 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.532 3.083 0.853 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.901 4.712 0.714 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.837 2.568 -0.069 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.976 3.841 0.429 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.799 3.194 1.596 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.926 3.246 -0.984 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.909 4.518 -1.747 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.549 2.864 -1.606 1.00 0.54 H new ATOM 406 N ALA A 28 20.059 7.467 -0.356 1.00 0.23 N ATOM 407 CA ALA A 28 19.033 8.434 -0.714 1.00 0.25 C ATOM 408 C ALA A 28 17.722 7.751 -1.106 1.00 0.25 C ATOM 409 O ALA A 28 17.714 6.791 -1.875 1.00 0.28 O ATOM 410 CB ALA A 28 19.526 9.328 -1.840 1.00 0.31 C ATOM 0 H ALA A 28 20.834 7.412 -1.017 1.00 0.23 H new ATOM 0 HA ALA A 28 18.831 9.046 0.165 1.00 0.25 H new ATOM 0 HB1 ALA A 28 18.750 10.048 -2.100 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.421 9.860 -1.517 1.00 0.31 H new ATOM 0 HB3 ALA A 28 19.762 8.718 -2.712 1.00 0.31 H new ATOM 416 N THR A 29 16.617 8.262 -0.562 1.00 0.28 N ATOM 417 CA THR A 29 15.287 7.729 -0.843 1.00 0.31 C ATOM 418 C THR A 29 14.956 7.846 -2.325 1.00 0.32 C ATOM 419 O THR A 29 14.197 7.044 -2.867 1.00 0.34 O ATOM 420 CB THR A 29 14.206 8.472 -0.036 1.00 0.39 C ATOM 421 OG1 THR A 29 14.143 9.842 -0.447 1.00 0.40 O ATOM 422 CG2 THR A 29 14.498 8.401 1.455 1.00 0.43 C ATOM 0 H THR A 29 16.620 9.053 0.082 1.00 0.28 H new ATOM 0 HA THR A 29 15.296 6.679 -0.551 1.00 0.31 H new ATOM 0 HB THR A 29 13.247 7.990 -0.227 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.571 10.343 0.172 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.721 8.933 2.004 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.518 7.358 1.773 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.465 8.861 1.659 1.00 0.43 H new ATOM 430 N ARG A 30 15.525 8.859 -2.972 1.00 0.35 N ATOM 431 CA ARG A 30 15.296 9.083 -4.394 1.00 0.40 C ATOM 432 C ARG A 30 15.833 7.916 -5.216 1.00 0.40 C ATOM 433 O ARG A 30 15.483 7.752 -6.385 1.00 0.52 O ATOM 434 CB ARG A 30 15.955 10.389 -4.839 1.00 0.46 C ATOM 435 CG ARG A 30 15.372 11.625 -4.172 1.00 0.50 C ATOM 436 CD ARG A 30 16.069 12.892 -4.643 1.00 0.73 C ATOM 437 NE ARG A 30 15.537 14.087 -3.992 1.00 1.71 N ATOM 438 CZ ARG A 30 15.813 15.326 -4.389 1.00 2.26 C ATOM 439 NH1 ARG A 30 16.606 15.531 -5.433 1.00 2.04 N ATOM 440 NH2 ARG A 30 15.294 16.363 -3.745 1.00 3.39 N ATOM 0 H ARG A 30 16.148 9.537 -2.533 1.00 0.35 H new ATOM 0 HA ARG A 30 14.221 9.157 -4.560 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.022 10.339 -4.623 1.00 0.46 H new ATOM 0 HB3 ARG A 30 15.853 10.488 -5.920 1.00 0.46 H new ATOM 0 HG2 ARG A 30 14.307 11.691 -4.393 1.00 0.50 H new ATOM 0 HG3 ARG A 30 15.468 11.536 -3.090 1.00 0.50 H new ATOM 0 HD2 ARG A 30 17.137 12.814 -4.440 1.00 0.73 H new ATOM 0 HD3 ARG A 30 15.956 12.987 -5.723 1.00 0.73 H new ATOM 0 HE ARG A 30 14.920 13.964 -3.189 1.00 1.71 H new ATOM 0 HH11 ARG A 30 17.006 14.737 -5.933 1.00 2.04 H new ATOM 0 HH12 ARG A 30 16.816 16.482 -5.735 1.00 2.04 H new ATOM 0 HH21 ARG A 30 14.682 16.211 -2.943 1.00 3.39 H new ATOM 0 HH22 ARG A 30 15.507 17.312 -4.051 1.00 3.39 H new ATOM 454 N GLU A 31 16.688 7.109 -4.594 1.00 0.33 N ATOM 455 CA GLU A 31 17.274 5.951 -5.258 1.00 0.36 C ATOM 456 C GLU A 31 16.544 4.678 -4.852 1.00 0.31 C ATOM 457 O GLU A 31 16.709 3.629 -5.476 1.00 0.33 O ATOM 458 CB GLU A 31 18.753 5.823 -4.910 1.00 0.42 C ATOM 459 CG GLU A 31 19.446 7.153 -4.673 1.00 0.52 C ATOM 460 CD GLU A 31 19.415 8.054 -5.893 1.00 1.10 C ATOM 461 OE1 GLU A 31 20.284 7.890 -6.775 1.00 1.12 O ATOM 462 OE2 GLU A 31 18.521 8.922 -5.966 1.00 2.01 O ATOM 0 H GLU A 31 16.990 7.237 -3.628 1.00 0.33 H new ATOM 0 HA GLU A 31 17.174 6.093 -6.334 1.00 0.36 H new ATOM 0 HB2 GLU A 31 18.854 5.207 -4.016 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.262 5.298 -5.718 1.00 0.42 H new ATOM 0 HG2 GLU A 31 18.968 7.663 -3.837 1.00 0.52 H new ATOM 0 HG3 GLU A 31 20.482 6.972 -4.386 1.00 0.52 H new ATOM 469 N LEU A 32 15.737 4.779 -3.800 1.00 0.31 N ATOM 470 CA LEU A 32 14.978 3.638 -3.303 1.00 0.33 C ATOM 471 C LEU A 32 14.135 3.031 -4.419 1.00 0.29 C ATOM 472 O LEU A 32 14.019 1.810 -4.526 1.00 0.29 O ATOM 473 CB LEU A 32 14.088 4.057 -2.132 1.00 0.40 C ATOM 474 CG LEU A 32 14.079 3.092 -0.944 1.00 0.57 C ATOM 475 CD1 LEU A 32 13.204 3.629 0.175 1.00 1.39 C ATOM 476 CD2 LEU A 32 13.602 1.713 -1.378 1.00 1.39 C ATOM 0 H LEU A 32 15.592 5.641 -3.275 1.00 0.31 H new ATOM 0 HA LEU A 32 15.682 2.884 -2.951 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.413 5.037 -1.782 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.067 4.171 -2.495 1.00 0.40 H new ATOM 0 HG LEU A 32 15.099 3.002 -0.570 1.00 0.57 H new ATOM 0 HD11 LEU A 32 13.211 2.929 1.010 1.00 1.39 H new ATOM 0 HD12 LEU A 32 13.589 4.593 0.507 1.00 1.39 H new ATOM 0 HD13 LEU A 32 12.183 3.751 -0.188 1.00 1.39 H new ATOM 0 HD21 LEU A 32 13.603 1.041 -0.520 1.00 1.39 H new ATOM 0 HD22 LEU A 32 12.592 1.787 -1.780 1.00 1.39 H new ATOM 0 HD23 LEU A 32 14.270 1.322 -2.145 1.00 1.39 H new ATOM 488 N GLY A 33 13.548 3.891 -5.247 1.00 0.33 N ATOM 489 CA GLY A 33 12.739 3.416 -6.353 1.00 0.35 C ATOM 490 C GLY A 33 13.541 2.542 -7.295 1.00 0.33 C ATOM 491 O GLY A 33 13.023 1.576 -7.856 1.00 0.41 O ATOM 0 H GLY A 33 13.619 4.906 -5.171 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.889 2.852 -5.967 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.335 4.267 -6.901 1.00 0.35 H new ATOM 495 N THR A 34 14.814 2.888 -7.467 1.00 0.30 N ATOM 496 CA THR A 34 15.704 2.124 -8.329 1.00 0.31 C ATOM 497 C THR A 34 16.049 0.794 -7.672 1.00 0.27 C ATOM 498 O THR A 34 16.356 -0.188 -8.347 1.00 0.30 O ATOM 499 CB THR A 34 17.003 2.897 -8.632 1.00 0.37 C ATOM 500 OG1 THR A 34 16.691 4.188 -9.170 1.00 0.42 O ATOM 501 CG2 THR A 34 17.874 2.133 -9.618 1.00 0.41 C ATOM 0 H THR A 34 15.250 3.694 -7.019 1.00 0.30 H new ATOM 0 HA THR A 34 15.183 1.950 -9.270 1.00 0.31 H new ATOM 0 HB THR A 34 17.554 3.013 -7.698 1.00 0.37 H new ATOM 0 HG1 THR A 34 17.521 4.673 -9.358 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.784 2.700 -9.815 1.00 0.41 H new ATOM 0 HG22 THR A 34 18.135 1.162 -9.197 1.00 0.41 H new ATOM 0 HG23 THR A 34 17.328 1.989 -10.550 1.00 0.41 H new ATOM 509 N LEU A 35 15.993 0.778 -6.343 1.00 0.27 N ATOM 510 CA LEU A 35 16.283 -0.424 -5.574 1.00 0.30 C ATOM 511 C LEU A 35 15.102 -1.385 -5.636 1.00 0.31 C ATOM 512 O LEU A 35 15.261 -2.598 -5.506 1.00 0.37 O ATOM 513 CB LEU A 35 16.576 -0.061 -4.115 1.00 0.35 C ATOM 514 CG LEU A 35 17.924 -0.545 -3.574 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.103 -0.110 -2.129 1.00 1.23 C ATOM 516 CD2 LEU A 35 18.039 -2.056 -3.692 1.00 1.25 C ATOM 0 H LEU A 35 15.748 1.590 -5.776 1.00 0.27 H new ATOM 0 HA LEU A 35 17.160 -0.908 -6.004 1.00 0.30 H new ATOM 0 HB2 LEU A 35 16.531 1.023 -4.012 1.00 0.35 H new ATOM 0 HB3 LEU A 35 15.784 -0.473 -3.490 1.00 0.35 H new ATOM 0 HG LEU A 35 18.715 -0.094 -4.173 1.00 0.50 H new ATOM 0 HD11 LEU A 35 19.066 -0.462 -1.760 1.00 1.23 H new ATOM 0 HD12 LEU A 35 18.067 0.978 -2.069 1.00 1.23 H new ATOM 0 HD13 LEU A 35 17.304 -0.533 -1.520 1.00 1.23 H new ATOM 0 HD21 LEU A 35 19.004 -2.379 -3.302 1.00 1.25 H new ATOM 0 HD22 LEU A 35 17.240 -2.528 -3.120 1.00 1.25 H new ATOM 0 HD23 LEU A 35 17.955 -2.347 -4.739 1.00 1.25 H new ATOM 528 N MET A 36 13.915 -0.823 -5.838 1.00 0.35 N ATOM 529 CA MET A 36 12.691 -1.610 -5.920 1.00 0.43 C ATOM 530 C MET A 36 12.551 -2.270 -7.282 1.00 0.43 C ATOM 531 O MET A 36 12.037 -3.381 -7.394 1.00 0.54 O ATOM 532 CB MET A 36 11.478 -0.722 -5.652 1.00 0.56 C ATOM 533 CG MET A 36 11.406 -0.212 -4.227 1.00 0.59 C ATOM 534 SD MET A 36 11.172 -1.545 -3.039 1.00 1.21 S ATOM 535 CE MET A 36 10.970 -0.614 -1.529 1.00 0.72 C ATOM 0 H MET A 36 13.775 0.181 -5.949 1.00 0.35 H new ATOM 0 HA MET A 36 12.744 -2.393 -5.163 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.503 0.129 -6.333 1.00 0.56 H new ATOM 0 HB3 MET A 36 10.570 -1.283 -5.875 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.323 0.328 -3.989 1.00 0.59 H new ATOM 0 HG3 MET A 36 10.585 0.500 -4.139 1.00 0.59 H new ATOM 0 HE1 MET A 36 10.397 -1.203 -0.813 1.00 0.72 H new ATOM 0 HE2 MET A 36 11.949 -0.385 -1.109 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.440 0.314 -1.742 1.00 0.72 H new ATOM 545 N ARG A 37 13.000 -1.573 -8.317 1.00 0.42 N ATOM 546 CA ARG A 37 12.918 -2.099 -9.677 1.00 0.47 C ATOM 547 C ARG A 37 13.954 -3.199 -9.910 1.00 0.43 C ATOM 548 O ARG A 37 13.667 -4.196 -10.572 1.00 0.47 O ATOM 549 CB ARG A 37 13.097 -0.976 -10.703 1.00 0.55 C ATOM 550 CG ARG A 37 14.474 -0.334 -10.683 1.00 0.95 C ATOM 551 CD ARG A 37 14.676 0.579 -11.880 1.00 1.20 C ATOM 552 NE ARG A 37 14.475 -0.127 -13.143 1.00 1.99 N ATOM 553 CZ ARG A 37 14.806 0.372 -14.330 1.00 2.52 C ATOM 554 NH1 ARG A 37 15.356 1.576 -14.420 1.00 2.46 N ATOM 555 NH2 ARG A 37 14.587 -0.334 -15.430 1.00 3.51 N ATOM 0 H ARG A 37 13.423 -0.648 -8.244 1.00 0.42 H new ATOM 0 HA ARG A 37 11.927 -2.535 -9.804 1.00 0.47 H new ATOM 0 HB2 ARG A 37 12.908 -1.375 -11.700 1.00 0.55 H new ATOM 0 HB3 ARG A 37 12.346 -0.207 -10.520 1.00 0.55 H new ATOM 0 HG2 ARG A 37 14.598 0.237 -9.763 1.00 0.95 H new ATOM 0 HG3 ARG A 37 15.239 -1.110 -10.682 1.00 0.95 H new ATOM 0 HD2 ARG A 37 13.982 1.417 -11.818 1.00 1.20 H new ATOM 0 HD3 ARG A 37 15.683 0.996 -11.853 1.00 1.20 H new ATOM 0 HE ARG A 37 14.056 -1.057 -13.112 1.00 1.99 H new ATOM 0 HH11 ARG A 37 15.527 2.123 -13.576 1.00 2.46 H new ATOM 0 HH12 ARG A 37 15.608 1.955 -15.333 1.00 2.46 H new ATOM 0 HH21 ARG A 37 14.164 -1.260 -15.366 1.00 3.51 H new ATOM 0 HH22 ARG A 37 14.841 0.049 -16.341 1.00 3.51 H new ATOM 569 N THR A 38 15.155 -3.015 -9.366 1.00 0.39 N ATOM 570 CA THR A 38 16.221 -4.001 -9.523 1.00 0.39 C ATOM 571 C THR A 38 15.953 -5.235 -8.664 1.00 0.36 C ATOM 572 O THR A 38 16.577 -6.282 -8.847 1.00 0.39 O ATOM 573 CB THR A 38 17.601 -3.411 -9.172 1.00 0.40 C ATOM 574 OG1 THR A 38 18.611 -4.419 -9.295 1.00 0.46 O ATOM 575 CG2 THR A 38 17.615 -2.846 -7.762 1.00 0.32 C ATOM 0 H THR A 38 15.413 -2.196 -8.815 1.00 0.39 H new ATOM 0 HA THR A 38 16.233 -4.293 -10.573 1.00 0.39 H new ATOM 0 HB THR A 38 17.806 -2.599 -9.870 1.00 0.40 H new ATOM 0 HG1 THR A 38 18.197 -5.305 -9.242 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.602 -2.437 -7.544 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.868 -2.056 -7.679 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.385 -3.639 -7.050 1.00 0.32 H new ATOM 583 N LEU A 39 15.017 -5.100 -7.730 1.00 0.33 N ATOM 584 CA LEU A 39 14.636 -6.196 -6.843 1.00 0.34 C ATOM 585 C LEU A 39 13.196 -6.613 -7.120 1.00 0.40 C ATOM 586 O LEU A 39 12.409 -5.837 -7.657 1.00 0.43 O ATOM 587 CB LEU A 39 14.775 -5.789 -5.374 1.00 0.32 C ATOM 588 CG LEU A 39 16.143 -6.057 -4.740 1.00 0.44 C ATOM 589 CD1 LEU A 39 17.170 -5.045 -5.215 1.00 1.05 C ATOM 590 CD2 LEU A 39 16.037 -6.036 -3.223 1.00 1.15 C ATOM 0 H LEU A 39 14.503 -4.234 -7.566 1.00 0.33 H new ATOM 0 HA LEU A 39 15.305 -7.034 -7.036 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.557 -4.724 -5.288 1.00 0.32 H new ATOM 0 HB3 LEU A 39 14.017 -6.317 -4.796 1.00 0.32 H new ATOM 0 HG LEU A 39 16.475 -7.047 -5.053 1.00 0.44 H new ATOM 0 HD11 LEU A 39 18.133 -5.258 -4.750 1.00 1.05 H new ATOM 0 HD12 LEU A 39 17.269 -5.108 -6.299 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.847 -4.041 -4.938 1.00 1.05 H new ATOM 0 HD21 LEU A 39 17.017 -6.228 -2.787 1.00 1.15 H new ATOM 0 HD22 LEU A 39 15.680 -5.059 -2.897 1.00 1.15 H new ATOM 0 HD23 LEU A 39 15.338 -6.806 -2.896 1.00 1.15 H new ATOM 602 N GLY A 40 12.863 -7.851 -6.764 1.00 0.45 N ATOM 603 CA GLY A 40 11.515 -8.349 -6.980 1.00 0.52 C ATOM 604 C GLY A 40 10.453 -7.467 -6.345 1.00 0.49 C ATOM 605 O GLY A 40 9.261 -7.644 -6.597 1.00 0.64 O ATOM 0 H GLY A 40 13.502 -8.518 -6.330 1.00 0.45 H new ATOM 0 HA2 GLY A 40 11.327 -8.422 -8.051 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.435 -9.357 -6.572 1.00 0.52 H new ATOM 609 N GLN A 41 10.887 -6.518 -5.520 1.00 0.46 N ATOM 610 CA GLN A 41 9.972 -5.598 -4.850 1.00 0.44 C ATOM 611 C GLN A 41 9.185 -4.768 -5.859 1.00 0.48 C ATOM 612 O GLN A 41 9.498 -4.759 -7.050 1.00 1.01 O ATOM 613 CB GLN A 41 10.748 -4.668 -3.916 1.00 0.48 C ATOM 614 CG GLN A 41 11.080 -5.275 -2.560 1.00 0.54 C ATOM 615 CD GLN A 41 11.065 -6.793 -2.566 1.00 1.55 C ATOM 616 OE1 GLN A 41 12.191 -7.396 -2.926 1.00 2.37 O flip ATOM 617 NE2 GLN A 41 10.047 -7.416 -2.262 1.00 2.20 N flip ATOM 0 H GLN A 41 11.871 -6.366 -5.299 1.00 0.46 H new ATOM 0 HA GLN A 41 9.268 -6.193 -4.269 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.676 -4.373 -4.406 1.00 0.48 H new ATOM 0 HB3 GLN A 41 10.166 -3.759 -3.761 1.00 0.48 H new ATOM 0 HG2 GLN A 41 12.064 -4.929 -2.245 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.364 -4.914 -1.822 1.00 0.54 H new ATOM 0 HE21 GLN A 41 9.203 -6.912 -1.991 1.00 2.20 H new ATOM 0 HE22 GLN A 41 10.048 -8.436 -2.281 1.00 2.20 H new ATOM 626 N ASN A 42 8.166 -4.067 -5.368 1.00 0.52 N ATOM 627 CA ASN A 42 7.325 -3.226 -6.214 1.00 0.53 C ATOM 628 C ASN A 42 6.296 -2.467 -5.377 1.00 0.51 C ATOM 629 O ASN A 42 5.128 -2.852 -5.321 1.00 0.59 O ATOM 630 CB ASN A 42 6.610 -4.076 -7.269 1.00 0.66 C ATOM 631 CG ASN A 42 5.754 -3.242 -8.201 1.00 1.27 C ATOM 632 OD1 ASN A 42 6.055 -2.078 -8.463 1.00 2.15 O ATOM 633 ND2 ASN A 42 4.679 -3.836 -8.707 1.00 1.71 N ATOM 0 H ASN A 42 7.902 -4.066 -4.383 1.00 0.52 H new ATOM 0 HA ASN A 42 7.968 -2.502 -6.714 1.00 0.53 H new ATOM 0 HB2 ASN A 42 7.350 -4.624 -7.853 1.00 0.66 H new ATOM 0 HB3 ASN A 42 5.984 -4.817 -6.771 1.00 0.66 H new ATOM 0 HD21 ASN A 42 4.065 -3.325 -9.341 1.00 1.71 H new ATOM 0 HD22 ASN A 42 4.468 -4.803 -8.462 1.00 1.71 H new ATOM 640 N PRO A 43 6.715 -1.374 -4.709 1.00 0.47 N ATOM 641 CA PRO A 43 5.818 -0.564 -3.876 1.00 0.54 C ATOM 642 C PRO A 43 4.843 0.257 -4.710 1.00 0.54 C ATOM 643 O PRO A 43 4.966 0.330 -5.934 1.00 0.64 O ATOM 644 CB PRO A 43 6.779 0.362 -3.131 1.00 0.53 C ATOM 645 CG PRO A 43 7.932 0.508 -4.058 1.00 0.46 C ATOM 646 CD PRO A 43 8.091 -0.837 -4.710 1.00 0.45 C ATOM 0 HA PRO A 43 5.196 -1.179 -3.225 1.00 0.54 H new ATOM 0 HB2 PRO A 43 6.317 1.325 -2.914 1.00 0.53 H new ATOM 0 HB3 PRO A 43 7.086 -0.066 -2.177 1.00 0.53 H new ATOM 0 HG2 PRO A 43 7.744 1.285 -4.799 1.00 0.46 H new ATOM 0 HG3 PRO A 43 8.836 0.793 -3.519 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.489 -0.750 -5.721 1.00 0.45 H new ATOM 0 HD3 PRO A 43 8.774 -1.477 -4.152 1.00 0.45 H new ATOM 654 N THR A 44 3.877 0.874 -4.040 1.00 0.59 N ATOM 655 CA THR A 44 2.889 1.701 -4.716 1.00 0.65 C ATOM 656 C THR A 44 3.429 3.107 -4.942 1.00 0.57 C ATOM 657 O THR A 44 4.208 3.610 -4.133 1.00 0.51 O ATOM 658 CB THR A 44 1.577 1.789 -3.914 1.00 0.78 C ATOM 659 OG1 THR A 44 1.853 1.732 -2.511 1.00 1.05 O ATOM 660 CG2 THR A 44 0.631 0.662 -4.299 1.00 1.02 C ATOM 0 H THR A 44 3.758 0.816 -3.029 1.00 0.59 H new ATOM 0 HA THR A 44 2.681 1.229 -5.676 1.00 0.65 H new ATOM 0 HB THR A 44 1.098 2.739 -4.148 1.00 0.78 H new ATOM 0 HG1 THR A 44 1.934 0.796 -2.231 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.289 0.745 -3.720 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.398 0.730 -5.362 1.00 1.02 H new ATOM 0 HG23 THR A 44 1.105 -0.298 -4.092 1.00 1.02 H new ATOM 668 N GLU A 45 3.021 3.733 -6.041 1.00 0.61 N ATOM 669 CA GLU A 45 3.476 5.082 -6.363 1.00 0.61 C ATOM 670 C GLU A 45 3.364 6.000 -5.150 1.00 0.60 C ATOM 671 O GLU A 45 4.326 6.670 -4.774 1.00 0.56 O ATOM 672 CB GLU A 45 2.665 5.656 -7.527 1.00 0.75 C ATOM 673 CG GLU A 45 2.833 4.885 -8.826 1.00 1.33 C ATOM 674 CD GLU A 45 2.079 5.518 -9.980 1.00 2.16 C ATOM 675 OE1 GLU A 45 0.898 5.169 -10.181 1.00 2.69 O ATOM 676 OE2 GLU A 45 2.672 6.365 -10.683 1.00 2.64 O ATOM 0 H GLU A 45 2.378 3.330 -6.722 1.00 0.61 H new ATOM 0 HA GLU A 45 4.524 5.022 -6.655 1.00 0.61 H new ATOM 0 HB2 GLU A 45 1.610 5.665 -7.254 1.00 0.75 H new ATOM 0 HB3 GLU A 45 2.961 6.692 -7.689 1.00 0.75 H new ATOM 0 HG2 GLU A 45 3.892 4.828 -9.076 1.00 1.33 H new ATOM 0 HG3 GLU A 45 2.483 3.862 -8.685 1.00 1.33 H new ATOM 683 N ALA A 46 2.186 6.013 -4.534 1.00 0.66 N ATOM 684 CA ALA A 46 1.941 6.847 -3.363 1.00 0.70 C ATOM 685 C ALA A 46 2.867 6.479 -2.212 1.00 0.64 C ATOM 686 O ALA A 46 3.354 7.354 -1.499 1.00 0.66 O ATOM 687 CB ALA A 46 0.494 6.728 -2.923 1.00 0.83 C ATOM 0 H ALA A 46 1.385 5.454 -4.827 1.00 0.66 H new ATOM 0 HA ALA A 46 2.147 7.880 -3.644 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.327 7.356 -2.048 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.160 7.052 -3.732 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.274 5.690 -2.672 1.00 0.83 H new ATOM 693 N GLU A 47 3.104 5.183 -2.030 1.00 0.62 N ATOM 694 CA GLU A 47 3.970 4.716 -0.953 1.00 0.62 C ATOM 695 C GLU A 47 5.367 5.299 -1.097 1.00 0.50 C ATOM 696 O GLU A 47 5.901 5.898 -0.164 1.00 0.48 O ATOM 697 CB GLU A 47 4.047 3.188 -0.947 1.00 0.69 C ATOM 698 CG GLU A 47 4.958 2.634 0.136 1.00 0.75 C ATOM 699 CD GLU A 47 4.444 2.920 1.534 1.00 1.31 C ATOM 700 OE1 GLU A 47 3.646 2.110 2.051 1.00 1.34 O ATOM 701 OE2 GLU A 47 4.839 3.954 2.111 1.00 2.23 O ATOM 0 H GLU A 47 2.711 4.442 -2.611 1.00 0.62 H new ATOM 0 HA GLU A 47 3.542 5.052 -0.008 1.00 0.62 H new ATOM 0 HB2 GLU A 47 3.045 2.782 -0.811 1.00 0.69 H new ATOM 0 HB3 GLU A 47 4.401 2.846 -1.919 1.00 0.69 H new ATOM 0 HG2 GLU A 47 5.060 1.557 0.004 1.00 0.75 H new ATOM 0 HG3 GLU A 47 5.953 3.064 0.024 1.00 0.75 H new ATOM 708 N LEU A 48 5.950 5.122 -2.277 1.00 0.45 N ATOM 709 CA LEU A 48 7.287 5.627 -2.554 1.00 0.39 C ATOM 710 C LEU A 48 7.342 7.134 -2.322 1.00 0.35 C ATOM 711 O LEU A 48 8.365 7.679 -1.901 1.00 0.34 O ATOM 712 CB LEU A 48 7.680 5.291 -3.994 1.00 0.40 C ATOM 713 CG LEU A 48 9.165 5.442 -4.315 1.00 0.66 C ATOM 714 CD1 LEU A 48 9.978 4.396 -3.566 1.00 1.42 C ATOM 715 CD2 LEU A 48 9.397 5.328 -5.814 1.00 1.39 C ATOM 0 H LEU A 48 5.515 4.631 -3.058 1.00 0.45 H new ATOM 0 HA LEU A 48 7.995 5.150 -1.876 1.00 0.39 H new ATOM 0 HB2 LEU A 48 7.382 4.264 -4.205 1.00 0.40 H new ATOM 0 HB3 LEU A 48 7.112 5.933 -4.668 1.00 0.40 H new ATOM 0 HG LEU A 48 9.493 6.430 -3.990 1.00 0.66 H new ATOM 0 HD11 LEU A 48 11.035 4.517 -3.805 1.00 1.42 H new ATOM 0 HD12 LEU A 48 9.832 4.522 -2.493 1.00 1.42 H new ATOM 0 HD13 LEU A 48 9.650 3.400 -3.863 1.00 1.42 H new ATOM 0 HD21 LEU A 48 10.460 5.438 -6.027 1.00 1.39 H new ATOM 0 HD22 LEU A 48 9.056 4.353 -6.162 1.00 1.39 H new ATOM 0 HD23 LEU A 48 8.841 6.112 -6.329 1.00 1.39 H new ATOM 727 N GLN A 49 6.223 7.795 -2.591 1.00 0.45 N ATOM 728 CA GLN A 49 6.115 9.237 -2.415 1.00 0.52 C ATOM 729 C GLN A 49 5.974 9.596 -0.942 1.00 0.54 C ATOM 730 O GLN A 49 6.381 10.675 -0.513 1.00 0.58 O ATOM 731 CB GLN A 49 4.909 9.766 -3.182 1.00 0.67 C ATOM 732 CG GLN A 49 5.052 9.674 -4.693 1.00 0.70 C ATOM 733 CD GLN A 49 6.181 10.534 -5.226 1.00 0.77 C ATOM 734 OE1 GLN A 49 6.513 11.571 -4.651 1.00 1.21 O ATOM 735 NE2 GLN A 49 6.776 10.107 -6.335 1.00 1.02 N ATOM 0 H GLN A 49 5.372 7.351 -2.935 1.00 0.45 H new ATOM 0 HA GLN A 49 7.026 9.695 -2.801 1.00 0.52 H new ATOM 0 HB2 GLN A 49 4.023 9.209 -2.876 1.00 0.67 H new ATOM 0 HB3 GLN A 49 4.743 10.807 -2.905 1.00 0.67 H new ATOM 0 HG2 GLN A 49 5.227 8.636 -4.975 1.00 0.70 H new ATOM 0 HG3 GLN A 49 4.116 9.978 -5.162 1.00 0.70 H new ATOM 0 HE21 GLN A 49 6.468 9.241 -6.778 1.00 1.02 H new ATOM 0 HE22 GLN A 49 7.541 10.645 -6.743 1.00 1.02 H new ATOM 744 N ASP A 50 5.391 8.684 -0.173 1.00 0.59 N ATOM 745 CA ASP A 50 5.181 8.906 1.252 1.00 0.68 C ATOM 746 C ASP A 50 6.511 9.022 1.980 1.00 0.59 C ATOM 747 O ASP A 50 6.732 9.963 2.742 1.00 0.57 O ATOM 748 CB ASP A 50 4.348 7.772 1.857 1.00 0.88 C ATOM 749 CG ASP A 50 2.890 7.841 1.450 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.264 8.901 1.657 1.00 1.09 O ATOM 751 OD2 ASP A 50 2.374 6.836 0.917 1.00 1.19 O ATOM 0 H ASP A 50 5.055 7.783 -0.513 1.00 0.59 H new ATOM 0 HA ASP A 50 4.636 9.843 1.371 1.00 0.68 H new ATOM 0 HB2 ASP A 50 4.764 6.814 1.545 1.00 0.88 H new ATOM 0 HB3 ASP A 50 4.421 7.812 2.944 1.00 0.88 H new ATOM 756 N LEU A 51 7.398 8.062 1.741 1.00 0.60 N ATOM 757 CA LEU A 51 8.709 8.070 2.375 1.00 0.64 C ATOM 758 C LEU A 51 9.533 9.265 1.917 1.00 0.54 C ATOM 759 O LEU A 51 10.114 9.973 2.736 1.00 0.64 O ATOM 760 CB LEU A 51 9.470 6.789 2.074 1.00 0.76 C ATOM 761 CG LEU A 51 9.280 6.242 0.672 1.00 0.40 C ATOM 762 CD1 LEU A 51 10.621 6.059 -0.021 1.00 0.86 C ATOM 763 CD2 LEU A 51 8.523 4.933 0.738 1.00 0.84 C ATOM 0 H LEU A 51 7.233 7.273 1.116 1.00 0.60 H new ATOM 0 HA LEU A 51 8.546 8.143 3.450 1.00 0.64 H new ATOM 0 HB2 LEU A 51 10.533 6.969 2.236 1.00 0.76 H new ATOM 0 HB3 LEU A 51 9.164 6.026 2.790 1.00 0.76 H new ATOM 0 HG LEU A 51 8.700 6.956 0.087 1.00 0.40 H new ATOM 0 HD11 LEU A 51 10.461 5.666 -1.025 1.00 0.86 H new ATOM 0 HD12 LEU A 51 11.132 7.020 -0.085 1.00 0.86 H new ATOM 0 HD13 LEU A 51 11.233 5.360 0.549 1.00 0.86 H new ATOM 0 HD21 LEU A 51 8.387 4.540 -0.270 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.088 4.216 1.334 1.00 0.84 H new ATOM 0 HD23 LEU A 51 7.549 5.099 1.198 1.00 0.84 H new ATOM 775 N ILE A 52 9.590 9.481 0.604 1.00 0.44 N ATOM 776 CA ILE A 52 10.359 10.592 0.055 1.00 0.48 C ATOM 777 C ILE A 52 9.834 11.933 0.545 1.00 0.53 C ATOM 778 O ILE A 52 10.593 12.883 0.681 1.00 0.68 O ATOM 779 CB ILE A 52 10.346 10.605 -1.483 1.00 0.48 C ATOM 780 CG1 ILE A 52 10.927 9.301 -2.037 1.00 0.48 C ATOM 781 CG2 ILE A 52 11.124 11.808 -2.001 1.00 0.67 C ATOM 782 CD1 ILE A 52 10.728 9.133 -3.528 1.00 0.54 C ATOM 0 H ILE A 52 9.117 8.906 -0.093 1.00 0.44 H new ATOM 0 HA ILE A 52 11.381 10.443 0.405 1.00 0.48 H new ATOM 0 HB ILE A 52 9.314 10.686 -1.825 1.00 0.48 H new ATOM 0 HG12 ILE A 52 11.994 9.265 -1.815 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.466 8.459 -1.520 1.00 0.48 H new ATOM 0 HG21 ILE A 52 11.109 11.809 -3.091 1.00 0.67 H new ATOM 0 HG22 ILE A 52 10.665 12.725 -1.631 1.00 0.67 H new ATOM 0 HG23 ILE A 52 12.155 11.752 -1.652 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.165 8.187 -3.849 1.00 0.54 H new ATOM 0 HD12 ILE A 52 9.662 9.136 -3.755 1.00 0.54 H new ATOM 0 HD13 ILE A 52 11.214 9.954 -4.055 1.00 0.54 H new ATOM 794 N ALA A 53 8.532 12.010 0.795 1.00 0.50 N ATOM 795 CA ALA A 53 7.923 13.249 1.261 1.00 0.60 C ATOM 796 C ALA A 53 8.240 13.497 2.731 1.00 0.64 C ATOM 797 O ALA A 53 8.463 14.636 3.142 1.00 0.73 O ATOM 798 CB ALA A 53 6.423 13.219 1.033 1.00 0.67 C ATOM 0 H ALA A 53 7.881 11.233 0.683 1.00 0.50 H new ATOM 0 HA ALA A 53 8.345 14.073 0.685 1.00 0.60 H new ATOM 0 HB1 ALA A 53 5.983 14.151 1.386 1.00 0.67 H new ATOM 0 HB2 ALA A 53 6.219 13.102 -0.031 1.00 0.67 H new ATOM 0 HB3 ALA A 53 5.988 12.382 1.580 1.00 0.67 H new ATOM 804 N GLU A 54 8.257 12.427 3.518 1.00 0.63 N ATOM 805 CA GLU A 54 8.560 12.537 4.939 1.00 0.72 C ATOM 806 C GLU A 54 10.042 12.834 5.135 1.00 0.66 C ATOM 807 O GLU A 54 10.417 13.680 5.948 1.00 0.72 O ATOM 808 CB GLU A 54 8.178 11.247 5.668 1.00 0.81 C ATOM 809 CG GLU A 54 8.364 11.319 7.177 1.00 1.18 C ATOM 810 CD GLU A 54 8.044 10.007 7.865 1.00 1.71 C ATOM 811 OE1 GLU A 54 6.852 9.757 8.146 1.00 1.82 O ATOM 812 OE2 GLU A 54 8.985 9.227 8.125 1.00 2.45 O ATOM 0 H GLU A 54 8.065 11.478 3.197 1.00 0.63 H new ATOM 0 HA GLU A 54 7.977 13.357 5.358 1.00 0.72 H new ATOM 0 HB2 GLU A 54 7.136 11.012 5.450 1.00 0.81 H new ATOM 0 HB3 GLU A 54 8.779 10.427 5.275 1.00 0.81 H new ATOM 0 HG2 GLU A 54 9.393 11.601 7.400 1.00 1.18 H new ATOM 0 HG3 GLU A 54 7.724 12.103 7.582 1.00 1.18 H new ATOM 819 N ALA A 55 10.877 12.130 4.378 1.00 0.58 N ATOM 820 CA ALA A 55 12.322 12.311 4.445 1.00 0.56 C ATOM 821 C ALA A 55 12.756 13.529 3.634 1.00 0.58 C ATOM 822 O ALA A 55 13.890 13.996 3.757 1.00 0.62 O ATOM 823 CB ALA A 55 13.032 11.063 3.940 1.00 0.56 C ATOM 0 H ALA A 55 10.575 11.424 3.707 1.00 0.58 H new ATOM 0 HA ALA A 55 12.597 12.478 5.486 1.00 0.56 H new ATOM 0 HB1 ALA A 55 14.111 11.211 3.995 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.751 10.210 4.557 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.744 10.874 2.906 1.00 0.56 H new ATOM 829 N GLU A 56 11.845 14.027 2.803 1.00 0.59 N ATOM 830 CA GLU A 56 12.114 15.177 1.940 1.00 0.65 C ATOM 831 C GLU A 56 12.840 16.292 2.690 1.00 0.72 C ATOM 832 O GLU A 56 13.913 16.734 2.277 1.00 0.77 O ATOM 833 CB GLU A 56 10.806 15.728 1.365 1.00 0.72 C ATOM 834 CG GLU A 56 11.010 16.755 0.262 1.00 0.82 C ATOM 835 CD GLU A 56 11.738 16.186 -0.939 1.00 1.52 C ATOM 836 OE1 GLU A 56 12.988 16.210 -0.943 1.00 2.45 O ATOM 837 OE2 GLU A 56 11.059 15.716 -1.877 1.00 1.79 O ATOM 0 H GLU A 56 10.903 13.648 2.708 1.00 0.59 H new ATOM 0 HA GLU A 56 12.758 14.829 1.132 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.214 14.901 0.974 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.228 16.182 2.170 1.00 0.72 H new ATOM 0 HG2 GLU A 56 10.040 17.140 -0.055 1.00 0.82 H new ATOM 0 HG3 GLU A 56 11.574 17.600 0.657 1.00 0.82 H new ATOM 844 N ASN A 57 12.249 16.742 3.795 1.00 0.77 N ATOM 845 CA ASN A 57 12.830 17.821 4.586 1.00 0.88 C ATOM 846 C ASN A 57 13.405 17.311 5.904 1.00 0.82 C ATOM 847 O ASN A 57 14.304 17.931 6.474 1.00 1.21 O ATOM 848 CB ASN A 57 11.779 18.899 4.868 1.00 1.17 C ATOM 849 CG ASN A 57 11.305 19.609 3.611 1.00 1.21 C ATOM 850 OD1 ASN A 57 11.097 18.856 2.535 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 11.109 20.824 3.613 1.00 1.19 N flip ATOM 0 H ASN A 57 11.370 16.376 4.161 1.00 0.77 H new ATOM 0 HA ASN A 57 13.646 18.248 4.003 1.00 0.88 H new ATOM 0 HB2 ASN A 57 10.923 18.443 5.366 1.00 1.17 H new ATOM 0 HB3 ASN A 57 12.195 19.633 5.558 1.00 1.17 H new ATOM 0 HD21 ASN A 57 11.281 21.367 4.459 1.00 1.19 H new ATOM 0 HD22 ASN A 57 10.775 21.288 2.768 1.00 1.19 H new ATOM 858 N ASN A 58 12.885 16.186 6.387 1.00 1.05 N ATOM 859 CA ASN A 58 13.352 15.609 7.645 1.00 1.01 C ATOM 860 C ASN A 58 14.865 15.420 7.633 1.00 0.95 C ATOM 861 O ASN A 58 15.512 15.438 8.681 1.00 1.57 O ATOM 862 CB ASN A 58 12.663 14.270 7.910 1.00 1.04 C ATOM 863 CG ASN A 58 13.051 13.678 9.251 1.00 1.42 C ATOM 864 OD1 ASN A 58 14.001 12.901 9.348 1.00 1.82 O ATOM 865 ND2 ASN A 58 12.319 14.047 10.296 1.00 1.89 N ATOM 0 H ASN A 58 12.143 15.657 5.929 1.00 1.05 H new ATOM 0 HA ASN A 58 13.097 16.304 8.445 1.00 1.01 H new ATOM 0 HB2 ASN A 58 11.582 14.407 7.875 1.00 1.04 H new ATOM 0 HB3 ASN A 58 12.921 13.568 7.117 1.00 1.04 H new ATOM 0 HD21 ASN A 58 12.536 13.684 11.224 1.00 1.89 H new ATOM 0 HD22 ASN A 58 11.540 14.694 10.170 1.00 1.89 H new ATOM 872 N ASN A 59 15.422 15.241 6.440 1.00 0.75 N ATOM 873 CA ASN A 59 16.859 15.048 6.285 1.00 0.73 C ATOM 874 C ASN A 59 17.251 15.062 4.809 1.00 0.84 C ATOM 875 O ASN A 59 16.424 15.352 3.944 1.00 1.76 O ATOM 876 CB ASN A 59 17.285 13.726 6.937 1.00 0.76 C ATOM 877 CG ASN A 59 16.400 12.563 6.530 1.00 0.95 C ATOM 878 OD1 ASN A 59 16.816 11.837 5.500 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.358 12.318 7.139 1.00 0.92 N flip ATOM 0 H ASN A 59 14.899 15.226 5.565 1.00 0.75 H new ATOM 0 HA ASN A 59 17.374 15.870 6.782 1.00 0.73 H new ATOM 0 HB2 ASN A 59 18.317 13.506 6.663 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.260 13.835 8.021 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.077 12.904 7.926 1.00 0.92 H new ATOM 0 HD22 ASN A 59 14.776 11.529 6.857 1.00 0.92 H new ATOM 886 N ASN A 60 18.514 14.754 4.525 1.00 0.57 N ATOM 887 CA ASN A 60 19.003 14.717 3.148 1.00 0.52 C ATOM 888 C ASN A 60 18.208 13.712 2.321 1.00 0.42 C ATOM 889 O ASN A 60 18.353 13.635 1.100 1.00 0.53 O ATOM 890 CB ASN A 60 20.491 14.341 3.126 1.00 0.58 C ATOM 891 CG ASN A 60 20.985 13.970 1.738 1.00 0.93 C ATOM 892 OD1 ASN A 60 20.959 12.675 1.418 1.00 1.99 O flip ATOM 893 ND2 ASN A 60 21.391 14.834 0.962 1.00 0.55 N flip ATOM 0 H ASN A 60 19.217 14.527 5.228 1.00 0.57 H new ATOM 0 HA ASN A 60 18.875 15.708 2.713 1.00 0.52 H new ATOM 0 HB2 ASN A 60 21.078 15.178 3.504 1.00 0.58 H new ATOM 0 HB3 ASN A 60 20.659 13.503 3.802 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.394 15.814 1.246 1.00 0.55 H new ATOM 0 HD22 ASN A 60 21.724 14.571 0.035 1.00 0.55 H new ATOM 900 N GLY A 61 17.349 12.958 2.995 1.00 0.37 N ATOM 901 CA GLY A 61 16.566 11.947 2.324 1.00 0.33 C ATOM 902 C GLY A 61 17.308 10.634 2.309 1.00 0.27 C ATOM 903 O GLY A 61 17.490 10.028 1.262 1.00 0.33 O ATOM 0 H GLY A 61 17.183 13.032 3.999 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.608 11.825 2.829 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.351 12.262 1.303 1.00 0.33 H new ATOM 907 N GLN A 62 17.743 10.205 3.486 1.00 0.29 N ATOM 908 CA GLN A 62 18.496 8.970 3.629 1.00 0.25 C ATOM 909 C GLN A 62 17.711 7.932 4.424 1.00 0.29 C ATOM 910 O GLN A 62 16.833 8.272 5.218 1.00 0.42 O ATOM 911 CB GLN A 62 19.824 9.254 4.336 1.00 0.30 C ATOM 912 CG GLN A 62 20.777 10.125 3.536 1.00 0.31 C ATOM 913 CD GLN A 62 21.591 9.326 2.538 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.084 9.212 1.319 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.665 8.821 2.860 1.00 0.54 N flip ATOM 0 H GLN A 62 17.584 10.701 4.363 1.00 0.29 H new ATOM 0 HA GLN A 62 18.682 8.571 2.632 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.619 9.739 5.290 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.315 8.307 4.559 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.208 10.890 3.007 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.451 10.643 4.218 1.00 0.31 H new ATOM 0 HE21 GLN A 62 23.017 8.934 3.810 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.204 8.289 2.177 1.00 0.54 H new ATOM 924 N LEU A 63 18.039 6.668 4.198 1.00 0.28 N ATOM 925 CA LEU A 63 17.391 5.563 4.892 1.00 0.37 C ATOM 926 C LEU A 63 18.423 4.561 5.376 1.00 0.27 C ATOM 927 O LEU A 63 19.530 4.490 4.843 1.00 0.23 O ATOM 928 CB LEU A 63 16.387 4.857 4.000 1.00 0.57 C ATOM 929 CG LEU A 63 16.900 4.531 2.616 1.00 0.90 C ATOM 930 CD1 LEU A 63 16.521 3.110 2.240 1.00 1.58 C ATOM 931 CD2 LEU A 63 16.340 5.536 1.637 1.00 1.61 C ATOM 0 H LEU A 63 18.757 6.380 3.533 1.00 0.28 H new ATOM 0 HA LEU A 63 16.860 5.984 5.746 1.00 0.37 H new ATOM 0 HB2 LEU A 63 16.076 3.932 4.486 1.00 0.57 H new ATOM 0 HB3 LEU A 63 15.499 5.483 3.907 1.00 0.57 H new ATOM 0 HG LEU A 63 17.988 4.594 2.594 1.00 0.90 H new ATOM 0 HD11 LEU A 63 16.895 2.886 1.241 1.00 1.58 H new ATOM 0 HD12 LEU A 63 16.959 2.415 2.956 1.00 1.58 H new ATOM 0 HD13 LEU A 63 15.436 3.008 2.252 1.00 1.58 H new ATOM 0 HD21 LEU A 63 16.704 5.310 0.635 1.00 1.61 H new ATOM 0 HD22 LEU A 63 15.251 5.486 1.647 1.00 1.61 H new ATOM 0 HD23 LEU A 63 16.660 6.538 1.922 1.00 1.61 H new ATOM 943 N ASN A 64 18.043 3.769 6.365 1.00 0.31 N ATOM 944 CA ASN A 64 18.937 2.774 6.931 1.00 0.28 C ATOM 945 C ASN A 64 18.486 1.376 6.560 1.00 0.25 C ATOM 946 O ASN A 64 17.333 1.165 6.192 1.00 0.27 O ATOM 947 CB ASN A 64 18.979 2.875 8.454 1.00 0.41 C ATOM 948 CG ASN A 64 19.712 4.093 8.961 1.00 0.53 C ATOM 949 OD1 ASN A 64 20.941 4.119 9.014 1.00 1.34 O ATOM 950 ND2 ASN A 64 18.952 5.099 9.370 1.00 0.95 N ATOM 0 H ASN A 64 17.118 3.797 6.793 1.00 0.31 H new ATOM 0 HA ASN A 64 19.930 2.966 6.524 1.00 0.28 H new ATOM 0 HB2 ASN A 64 17.958 2.891 8.837 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.456 1.981 8.856 1.00 0.41 H new ATOM 0 HD21 ASN A 64 19.383 5.942 9.749 1.00 0.95 H new ATOM 0 HD22 ASN A 64 17.936 5.030 9.306 1.00 0.95 H new ATOM 957 N PHE A 65 19.416 0.436 6.617 1.00 0.25 N ATOM 958 CA PHE A 65 19.132 -0.957 6.303 1.00 0.26 C ATOM 959 C PHE A 65 17.769 -1.384 6.850 1.00 0.27 C ATOM 960 O PHE A 65 17.061 -2.169 6.224 1.00 0.31 O ATOM 961 CB PHE A 65 20.234 -1.835 6.894 1.00 0.32 C ATOM 962 CG PHE A 65 19.992 -3.310 6.759 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.229 -3.957 5.556 1.00 0.36 C ATOM 964 CD2 PHE A 65 19.518 -4.045 7.829 1.00 0.39 C ATOM 965 CE1 PHE A 65 19.999 -5.312 5.427 1.00 0.44 C ATOM 966 CE2 PHE A 65 19.285 -5.400 7.706 1.00 0.45 C ATOM 967 CZ PHE A 65 19.562 -6.042 6.514 1.00 0.45 C ATOM 0 H PHE A 65 20.385 0.615 6.881 1.00 0.25 H new ATOM 0 HA PHE A 65 19.104 -1.073 5.220 1.00 0.26 H new ATOM 0 HB2 PHE A 65 21.178 -1.588 6.408 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.347 -1.593 7.951 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.598 -3.395 4.711 1.00 0.36 H new ATOM 0 HD2 PHE A 65 19.328 -3.554 8.772 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.161 -5.800 4.477 1.00 0.44 H new ATOM 0 HE2 PHE A 65 18.887 -5.958 8.541 1.00 0.45 H new ATOM 0 HZ PHE A 65 19.437 -7.112 6.433 1.00 0.45 H new ATOM 977 N THR A 66 17.403 -0.848 8.012 1.00 0.28 N ATOM 978 CA THR A 66 16.127 -1.183 8.642 1.00 0.32 C ATOM 979 C THR A 66 14.943 -0.642 7.851 1.00 0.31 C ATOM 980 O THR A 66 13.897 -1.281 7.782 1.00 0.33 O ATOM 981 CB THR A 66 16.038 -0.629 10.072 1.00 0.38 C ATOM 982 OG1 THR A 66 17.323 -0.167 10.508 1.00 0.56 O ATOM 983 CG2 THR A 66 15.522 -1.686 11.030 1.00 0.52 C ATOM 0 H THR A 66 17.970 -0.181 8.536 1.00 0.28 H new ATOM 0 HA THR A 66 16.084 -2.272 8.664 1.00 0.32 H new ATOM 0 HB THR A 66 15.339 0.207 10.067 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.252 0.185 11.420 1.00 0.56 H new ATOM 0 HG21 THR A 66 15.468 -1.270 12.036 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.529 -2.008 10.716 1.00 0.52 H new ATOM 0 HG23 THR A 66 16.198 -2.541 11.027 1.00 0.52 H new ATOM 991 N GLU A 67 15.095 0.550 7.285 1.00 0.30 N ATOM 992 CA GLU A 67 14.024 1.159 6.502 1.00 0.33 C ATOM 993 C GLU A 67 13.676 0.287 5.301 1.00 0.30 C ATOM 994 O GLU A 67 12.520 -0.103 5.117 1.00 0.33 O ATOM 995 CB GLU A 67 14.429 2.559 6.031 1.00 0.36 C ATOM 996 CG GLU A 67 14.799 3.497 7.167 1.00 0.42 C ATOM 997 CD GLU A 67 13.644 3.751 8.115 1.00 0.93 C ATOM 998 OE1 GLU A 67 13.472 2.960 9.066 1.00 1.70 O ATOM 999 OE2 GLU A 67 12.912 4.741 7.905 1.00 1.22 O ATOM 0 H GLU A 67 15.944 1.112 7.352 1.00 0.30 H new ATOM 0 HA GLU A 67 13.145 1.245 7.140 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.276 2.474 5.350 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.607 2.995 5.464 1.00 0.36 H new ATOM 0 HG2 GLU A 67 15.635 3.074 7.724 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.139 4.446 6.753 1.00 0.42 H new ATOM 1006 N PHE A 68 14.682 -0.021 4.488 1.00 0.27 N ATOM 1007 CA PHE A 68 14.477 -0.851 3.309 1.00 0.26 C ATOM 1008 C PHE A 68 14.068 -2.258 3.716 1.00 0.27 C ATOM 1009 O PHE A 68 13.029 -2.756 3.288 1.00 0.31 O ATOM 1010 CB PHE A 68 15.745 -0.902 2.456 1.00 0.26 C ATOM 1011 CG PHE A 68 15.551 -1.570 1.121 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.427 -1.302 0.359 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.484 -2.474 0.634 1.00 0.35 C ATOM 1014 CE1 PHE A 68 14.237 -1.920 -0.863 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.298 -3.096 -0.584 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.212 -2.789 -1.355 1.00 0.37 C ATOM 0 H PHE A 68 15.643 0.291 4.624 1.00 0.27 H new ATOM 0 HA PHE A 68 13.677 -0.407 2.716 1.00 0.26 H new ATOM 0 HB2 PHE A 68 16.105 0.114 2.295 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.522 -1.431 3.008 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.690 -0.602 0.723 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.367 -2.694 1.215 1.00 0.35 H new ATOM 0 HE1 PHE A 68 13.340 -1.731 -1.433 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.013 -3.828 -0.929 1.00 0.37 H new ATOM 0 HZ PHE A 68 15.109 -3.217 -2.341 1.00 0.37 H new ATOM 1026 N CYS A 69 14.889 -2.891 4.552 1.00 0.26 N ATOM 1027 CA CYS A 69 14.602 -4.238 5.024 1.00 0.28 C ATOM 1028 C CYS A 69 13.211 -4.286 5.633 1.00 0.29 C ATOM 1029 O CYS A 69 12.547 -5.323 5.625 1.00 0.34 O ATOM 1030 CB CYS A 69 15.630 -4.683 6.066 1.00 0.27 C ATOM 1031 SG CYS A 69 15.437 -6.398 6.604 1.00 0.49 S ATOM 0 H CYS A 69 15.755 -2.492 4.914 1.00 0.26 H new ATOM 0 HA CYS A 69 14.654 -4.916 4.172 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.630 -4.553 5.653 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.557 -4.030 6.936 1.00 0.27 H new ATOM 0 HG CYS A 69 14.201 -6.766 6.444 1.00 0.49 H new ATOM 1037 N GLY A 70 12.783 -3.147 6.168 1.00 0.31 N ATOM 1038 CA GLY A 70 11.471 -3.053 6.768 1.00 0.34 C ATOM 1039 C GLY A 70 10.387 -3.333 5.753 1.00 0.35 C ATOM 1040 O GLY A 70 9.557 -4.226 5.939 1.00 0.35 O ATOM 0 H GLY A 70 13.327 -2.285 6.195 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.393 -3.762 7.593 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.331 -2.057 7.189 1.00 0.34 H new ATOM 1044 N ILE A 71 10.414 -2.575 4.659 1.00 0.38 N ATOM 1045 CA ILE A 71 9.439 -2.741 3.590 1.00 0.41 C ATOM 1046 C ILE A 71 9.615 -4.088 2.916 1.00 0.41 C ATOM 1047 O ILE A 71 8.648 -4.692 2.450 1.00 0.45 O ATOM 1048 CB ILE A 71 9.564 -1.642 2.520 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.240 -0.272 3.118 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.646 -1.951 1.343 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.576 0.884 2.199 1.00 0.49 C ATOM 0 H ILE A 71 11.102 -1.840 4.492 1.00 0.38 H new ATOM 0 HA ILE A 71 8.454 -2.673 4.051 1.00 0.41 H new ATOM 0 HB ILE A 71 10.592 -1.618 2.159 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.179 -0.234 3.364 1.00 0.46 H new ATOM 0 HG13 ILE A 71 9.788 -0.154 4.053 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.742 -1.167 0.591 1.00 0.47 H new ATOM 0 HG22 ILE A 71 8.925 -2.910 0.906 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.613 -1.997 1.689 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.320 1.824 2.688 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.642 0.871 1.973 1.00 0.49 H new ATOM 0 HD13 ILE A 71 9.008 0.790 1.274 1.00 0.49 H new ATOM 1063 N MET A 72 10.855 -4.560 2.870 1.00 0.39 N ATOM 1064 CA MET A 72 11.145 -5.833 2.244 1.00 0.41 C ATOM 1065 C MET A 72 10.343 -6.898 2.952 1.00 0.42 C ATOM 1066 O MET A 72 9.547 -7.601 2.345 1.00 0.50 O ATOM 1067 CB MET A 72 12.637 -6.162 2.336 1.00 0.41 C ATOM 1068 CG MET A 72 13.531 -5.235 1.527 1.00 0.45 C ATOM 1069 SD MET A 72 13.391 -5.499 -0.249 1.00 0.78 S ATOM 1070 CE MET A 72 13.859 -7.223 -0.381 1.00 0.36 C ATOM 0 H MET A 72 11.667 -4.080 3.257 1.00 0.39 H new ATOM 0 HA MET A 72 10.878 -5.788 1.188 1.00 0.41 H new ATOM 0 HB2 MET A 72 12.943 -6.122 3.382 1.00 0.41 H new ATOM 0 HB3 MET A 72 12.793 -7.186 1.997 1.00 0.41 H new ATOM 0 HG2 MET A 72 13.275 -4.201 1.757 1.00 0.45 H new ATOM 0 HG3 MET A 72 14.568 -5.382 1.830 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.608 -7.338 -1.165 1.00 0.36 H new ATOM 0 HE2 MET A 72 14.273 -7.561 0.569 1.00 0.36 H new ATOM 0 HE3 MET A 72 12.981 -7.820 -0.627 1.00 0.36 H new ATOM 1080 N ALA A 73 10.545 -6.956 4.259 1.00 0.41 N ATOM 1081 CA ALA A 73 9.857 -7.898 5.120 1.00 0.44 C ATOM 1082 C ALA A 73 8.364 -7.927 4.812 1.00 0.45 C ATOM 1083 O ALA A 73 7.773 -8.995 4.642 1.00 0.51 O ATOM 1084 CB ALA A 73 10.095 -7.494 6.561 1.00 0.46 C ATOM 0 H ALA A 73 11.196 -6.346 4.753 1.00 0.41 H new ATOM 0 HA ALA A 73 10.246 -8.901 4.947 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.584 -8.192 7.224 1.00 0.46 H new ATOM 0 HB2 ALA A 73 11.164 -7.510 6.772 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.708 -6.488 6.726 1.00 0.46 H new ATOM 1090 N LYS A 74 7.761 -6.744 4.738 1.00 0.42 N ATOM 1091 CA LYS A 74 6.335 -6.633 4.440 1.00 0.46 C ATOM 1092 C LYS A 74 6.013 -7.321 3.122 1.00 0.47 C ATOM 1093 O LYS A 74 5.136 -8.180 3.054 1.00 0.57 O ATOM 1094 CB LYS A 74 5.908 -5.166 4.361 1.00 0.50 C ATOM 1095 CG LYS A 74 6.651 -4.261 5.319 1.00 1.17 C ATOM 1096 CD LYS A 74 6.008 -2.891 5.404 1.00 1.08 C ATOM 1097 CE LYS A 74 6.658 -2.034 6.478 1.00 1.83 C ATOM 1098 NZ LYS A 74 6.541 -2.652 7.828 1.00 2.52 N ATOM 0 H LYS A 74 8.234 -5.852 4.879 1.00 0.42 H new ATOM 0 HA LYS A 74 5.787 -7.120 5.247 1.00 0.46 H new ATOM 0 HB2 LYS A 74 6.062 -4.807 3.343 1.00 0.50 H new ATOM 0 HB3 LYS A 74 4.840 -5.097 4.565 1.00 0.50 H new ATOM 0 HG2 LYS A 74 6.671 -4.716 6.309 1.00 1.17 H new ATOM 0 HG3 LYS A 74 7.686 -4.158 4.994 1.00 1.17 H new ATOM 0 HD2 LYS A 74 6.089 -2.390 4.439 1.00 1.08 H new ATOM 0 HD3 LYS A 74 4.945 -3.000 5.618 1.00 1.08 H new ATOM 0 HE2 LYS A 74 7.711 -1.886 6.237 1.00 1.83 H new ATOM 0 HE3 LYS A 74 6.192 -1.049 6.488 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 6.693 -1.926 8.557 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 5.592 -3.062 7.941 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 7.256 -3.400 7.930 1.00 2.52 H new ATOM 1112 N GLN A 75 6.729 -6.928 2.073 1.00 0.45 N ATOM 1113 CA GLN A 75 6.518 -7.499 0.748 1.00 0.50 C ATOM 1114 C GLN A 75 6.890 -8.983 0.690 1.00 0.52 C ATOM 1115 O GLN A 75 6.476 -9.691 -0.228 1.00 0.67 O ATOM 1116 CB GLN A 75 7.304 -6.709 -0.297 1.00 0.50 C ATOM 1117 CG GLN A 75 6.785 -5.292 -0.487 1.00 0.76 C ATOM 1118 CD GLN A 75 7.449 -4.572 -1.644 1.00 0.66 C ATOM 1119 OE1 GLN A 75 6.999 -4.662 -2.786 1.00 1.60 O ATOM 1120 NE2 GLN A 75 8.521 -3.845 -1.351 1.00 0.86 N ATOM 0 H GLN A 75 7.459 -6.217 2.115 1.00 0.45 H new ATOM 0 HA GLN A 75 5.453 -7.427 0.527 1.00 0.50 H new ATOM 0 HB2 GLN A 75 8.352 -6.669 -0.001 1.00 0.50 H new ATOM 0 HB3 GLN A 75 7.262 -7.236 -1.250 1.00 0.50 H new ATOM 0 HG2 GLN A 75 5.708 -5.324 -0.655 1.00 0.76 H new ATOM 0 HG3 GLN A 75 6.948 -4.725 0.429 1.00 0.76 H new ATOM 0 HE21 GLN A 75 8.859 -3.799 -0.390 1.00 0.86 H new ATOM 0 HE22 GLN A 75 9.006 -3.332 -2.087 1.00 0.86 H new ATOM 1129 N MET A 76 7.671 -9.454 1.664 1.00 0.55 N ATOM 1130 CA MET A 76 8.071 -10.855 1.703 1.00 0.66 C ATOM 1131 C MET A 76 6.877 -11.738 2.052 1.00 0.71 C ATOM 1132 O MET A 76 6.641 -12.766 1.417 1.00 0.83 O ATOM 1133 CB MET A 76 9.182 -11.069 2.733 1.00 0.87 C ATOM 1134 CG MET A 76 10.455 -10.296 2.439 1.00 1.02 C ATOM 1135 SD MET A 76 11.683 -11.265 1.548 1.00 1.03 S ATOM 1136 CE MET A 76 13.115 -10.203 1.721 1.00 0.64 C ATOM 0 H MET A 76 8.035 -8.887 2.430 1.00 0.55 H new ATOM 0 HA MET A 76 8.444 -11.128 0.716 1.00 0.66 H new ATOM 0 HB2 MET A 76 8.812 -10.779 3.716 1.00 0.87 H new ATOM 0 HB3 MET A 76 9.418 -12.132 2.782 1.00 0.87 H new ATOM 0 HG2 MET A 76 10.207 -9.410 1.855 1.00 1.02 H new ATOM 0 HG3 MET A 76 10.887 -9.949 3.378 1.00 1.02 H new ATOM 0 HE1 MET A 76 13.426 -9.849 0.738 1.00 0.64 H new ATOM 0 HE2 MET A 76 12.862 -9.350 2.351 1.00 0.64 H new ATOM 0 HE3 MET A 76 13.930 -10.763 2.180 1.00 0.64 H new ATOM 1240 N GLU A 83 1.950 -8.117 -10.777 1.00 7.37 N ATOM 1241 CA GLU A 83 1.855 -8.002 -12.228 1.00 8.31 C ATOM 1242 C GLU A 83 1.698 -9.375 -12.872 1.00 8.90 C ATOM 1243 O GLU A 83 0.858 -9.567 -13.751 1.00 9.79 O ATOM 1244 CB GLU A 83 3.095 -7.302 -12.786 1.00 8.42 C ATOM 1245 CG GLU A 83 3.308 -5.904 -12.230 1.00 8.14 C ATOM 1246 CD GLU A 83 4.552 -5.238 -12.787 1.00 8.51 C ATOM 1247 OE1 GLU A 83 5.647 -5.468 -12.232 1.00 8.45 O ATOM 1248 OE2 GLU A 83 4.430 -4.487 -13.776 1.00 9.06 O ATOM 0 HA GLU A 83 0.973 -7.407 -12.465 1.00 8.31 H new ATOM 0 HB2 GLU A 83 3.974 -7.909 -12.567 1.00 8.42 H new ATOM 0 HB3 GLU A 83 3.011 -7.243 -13.871 1.00 8.42 H new ATOM 0 HG2 GLU A 83 2.438 -5.289 -12.459 1.00 8.14 H new ATOM 0 HG3 GLU A 83 3.384 -5.957 -11.144 1.00 8.14 H new ATOM 1255 N GLU A 84 2.514 -10.327 -12.427 1.00 8.58 N ATOM 1256 CA GLU A 84 2.469 -11.684 -12.959 1.00 9.37 C ATOM 1257 C GLU A 84 1.165 -12.377 -12.575 1.00 9.77 C ATOM 1258 O GLU A 84 0.747 -13.342 -13.219 1.00 10.65 O ATOM 1259 CB GLU A 84 3.663 -12.491 -12.448 1.00 9.24 C ATOM 1260 CG GLU A 84 3.756 -13.888 -13.042 1.00 9.88 C ATOM 1261 CD GLU A 84 4.963 -14.657 -12.538 1.00 10.30 C ATOM 1262 OE1 GLU A 84 4.851 -15.303 -11.475 1.00 10.41 O ATOM 1263 OE2 GLU A 84 6.016 -14.611 -13.206 1.00 10.72 O ATOM 0 H GLU A 84 3.214 -10.183 -11.699 1.00 8.58 H new ATOM 0 HA GLU A 84 2.518 -11.625 -14.046 1.00 9.37 H new ATOM 0 HB2 GLU A 84 4.581 -11.948 -12.674 1.00 9.24 H new ATOM 0 HB3 GLU A 84 3.599 -12.571 -11.363 1.00 9.24 H new ATOM 0 HG2 GLU A 84 2.849 -14.443 -12.800 1.00 9.88 H new ATOM 0 HG3 GLU A 84 3.804 -13.814 -14.128 1.00 9.88 H new ATOM 1270 N MET A 85 0.518 -11.869 -11.532 1.00 9.28 N ATOM 1271 CA MET A 85 -0.733 -12.442 -11.059 1.00 9.90 C ATOM 1272 C MET A 85 -1.890 -11.977 -11.931 1.00 10.59 C ATOM 1273 O MET A 85 -2.813 -12.740 -12.218 1.00 11.45 O ATOM 1274 CB MET A 85 -0.977 -12.049 -9.601 1.00 9.48 C ATOM 1275 CG MET A 85 0.152 -12.455 -8.670 1.00 8.93 C ATOM 1276 SD MET A 85 -0.058 -11.815 -6.999 1.00 8.96 S ATOM 1277 CE MET A 85 -1.586 -12.617 -6.522 1.00 9.60 C ATOM 0 H MET A 85 0.841 -11.061 -10.999 1.00 9.28 H new ATOM 0 HA MET A 85 -0.665 -13.528 -11.121 1.00 9.90 H new ATOM 0 HB2 MET A 85 -1.116 -10.970 -9.542 1.00 9.48 H new ATOM 0 HB3 MET A 85 -1.904 -12.509 -9.259 1.00 9.48 H new ATOM 0 HG2 MET A 85 0.213 -13.543 -8.633 1.00 8.93 H new ATOM 0 HG3 MET A 85 1.098 -12.096 -9.075 1.00 8.93 H new ATOM 0 HE1 MET A 85 -1.715 -12.542 -5.442 1.00 9.60 H new ATOM 0 HE2 MET A 85 -2.424 -12.131 -7.022 1.00 9.60 H new ATOM 0 HE3 MET A 85 -1.551 -13.667 -6.811 1.00 9.60 H new ATOM 1287 N ARG A 86 -1.830 -10.720 -12.355 1.00 10.35 N ATOM 1288 CA ARG A 86 -2.869 -10.156 -13.199 1.00 11.19 C ATOM 1289 C ARG A 86 -2.809 -10.764 -14.594 1.00 11.96 C ATOM 1290 O ARG A 86 -3.833 -11.153 -15.157 1.00 12.88 O ATOM 1291 CB ARG A 86 -2.725 -8.639 -13.289 1.00 10.99 C ATOM 1292 CG ARG A 86 -3.978 -7.948 -13.790 1.00 11.99 C ATOM 1293 CD ARG A 86 -3.691 -6.522 -14.230 1.00 12.13 C ATOM 1294 NE ARG A 86 -4.899 -5.827 -14.663 1.00 12.84 N ATOM 1295 CZ ARG A 86 -4.908 -4.858 -15.574 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -3.777 -4.477 -16.152 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -6.049 -4.271 -15.908 1.00 14.09 N ATOM 0 H ARG A 86 -1.073 -10.075 -12.127 1.00 10.35 H new ATOM 0 HA ARG A 86 -3.835 -10.391 -12.751 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -2.470 -8.246 -12.305 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -1.895 -8.398 -13.953 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -4.395 -8.510 -14.625 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -4.731 -7.942 -13.002 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -3.234 -5.974 -13.406 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -2.968 -6.533 -15.046 1.00 12.13 H new ATOM 0 HE ARG A 86 -5.787 -6.100 -14.243 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -2.898 -4.927 -15.898 1.00 13.18 H new ATOM 0 HH12 ARG A 86 -3.786 -3.734 -16.850 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -6.921 -4.562 -15.466 1.00 14.09 H new ATOM 0 HH22 ARG A 86 -6.055 -3.528 -16.607 1.00 14.09 H new ATOM 1311 N GLU A 87 -1.603 -10.845 -15.151 1.00 11.71 N ATOM 1312 CA GLU A 87 -1.421 -11.416 -16.479 1.00 12.58 C ATOM 1313 C GLU A 87 -1.879 -12.869 -16.494 1.00 13.20 C ATOM 1314 O GLU A 87 -2.482 -13.327 -17.463 1.00 14.14 O ATOM 1315 CB GLU A 87 0.042 -11.311 -16.922 1.00 12.36 C ATOM 1316 CG GLU A 87 1.003 -12.125 -16.075 1.00 12.89 C ATOM 1317 CD GLU A 87 2.440 -11.992 -16.537 1.00 13.23 C ATOM 1318 OE1 GLU A 87 3.110 -11.025 -16.121 1.00 13.47 O ATOM 1319 OE2 GLU A 87 2.897 -12.857 -17.314 1.00 13.40 O ATOM 0 H GLU A 87 -0.744 -10.524 -14.705 1.00 11.71 H new ATOM 0 HA GLU A 87 -2.030 -10.849 -17.183 1.00 12.58 H new ATOM 0 HB2 GLU A 87 0.121 -11.638 -17.959 1.00 12.36 H new ATOM 0 HB3 GLU A 87 0.345 -10.264 -16.893 1.00 12.36 H new ATOM 0 HG2 GLU A 87 0.928 -11.804 -15.036 1.00 12.89 H new ATOM 0 HG3 GLU A 87 0.710 -13.175 -16.106 1.00 12.89 H new ATOM 1326 N ALA A 88 -1.587 -13.593 -15.413 1.00 12.78 N ATOM 1327 CA ALA A 88 -1.995 -14.988 -15.305 1.00 13.49 C ATOM 1328 C ALA A 88 -3.512 -15.095 -15.393 1.00 14.13 C ATOM 1329 O ALA A 88 -4.046 -16.002 -16.030 1.00 15.06 O ATOM 1330 CB ALA A 88 -1.492 -15.596 -14.006 1.00 13.06 C ATOM 0 H ALA A 88 -1.073 -13.237 -14.607 1.00 12.78 H new ATOM 0 HA ALA A 88 -1.555 -15.545 -16.132 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -1.808 -16.638 -13.946 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -0.404 -15.544 -13.978 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -1.904 -15.043 -13.162 1.00 13.06 H new ATOM 1336 N PHE A 89 -4.198 -14.159 -14.741 1.00 13.73 N ATOM 1337 CA PHE A 89 -5.656 -14.124 -14.762 1.00 14.46 C ATOM 1338 C PHE A 89 -6.152 -13.999 -16.197 1.00 15.32 C ATOM 1339 O PHE A 89 -7.157 -14.601 -16.576 1.00 16.24 O ATOM 1340 CB PHE A 89 -6.165 -12.952 -13.914 1.00 14.00 C ATOM 1341 CG PHE A 89 -7.593 -12.571 -14.189 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -8.637 -13.268 -13.605 1.00 15.30 C ATOM 1343 CD2 PHE A 89 -7.889 -11.511 -15.032 1.00 15.46 C ATOM 1344 CE1 PHE A 89 -9.950 -12.917 -13.856 1.00 16.22 C ATOM 1345 CE2 PHE A 89 -9.199 -11.154 -15.288 1.00 16.38 C ATOM 1346 CZ PHE A 89 -10.230 -11.858 -14.699 1.00 16.75 C ATOM 0 H PHE A 89 -3.767 -13.415 -14.192 1.00 13.73 H new ATOM 0 HA PHE A 89 -6.042 -15.052 -14.339 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -6.066 -13.210 -12.860 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -5.528 -12.085 -14.092 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -8.423 -14.096 -12.945 1.00 15.30 H new ATOM 0 HD2 PHE A 89 -7.085 -10.957 -15.495 1.00 15.46 H new ATOM 0 HE1 PHE A 89 -10.755 -13.469 -13.394 1.00 16.22 H new ATOM 0 HE2 PHE A 89 -9.416 -10.326 -15.947 1.00 16.38 H new ATOM 0 HZ PHE A 89 -11.255 -11.581 -14.897 1.00 16.75 H new ATOM 1356 N LYS A 90 -5.434 -13.209 -16.987 1.00 15.11 N ATOM 1357 CA LYS A 90 -5.781 -13.000 -18.389 1.00 16.01 C ATOM 1358 C LYS A 90 -5.730 -14.313 -19.161 1.00 16.75 C ATOM 1359 O LYS A 90 -6.662 -14.655 -19.890 1.00 17.70 O ATOM 1360 CB LYS A 90 -4.825 -11.991 -19.027 1.00 15.74 C ATOM 1361 CG LYS A 90 -4.799 -10.646 -18.321 1.00 15.19 C ATOM 1362 CD LYS A 90 -3.795 -9.704 -18.958 1.00 15.14 C ATOM 1363 CE LYS A 90 -3.602 -8.450 -18.121 1.00 14.45 C ATOM 1364 NZ LYS A 90 -4.865 -7.675 -17.981 1.00 14.90 N ATOM 0 H LYS A 90 -4.605 -12.701 -16.680 1.00 15.11 H new ATOM 0 HA LYS A 90 -6.797 -12.609 -18.431 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -3.818 -12.409 -19.031 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -5.111 -11.840 -20.068 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -5.792 -10.197 -18.353 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -4.548 -10.790 -17.270 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -2.839 -10.215 -19.077 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -4.135 -9.428 -19.956 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -3.235 -8.726 -17.133 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -2.839 -7.821 -18.580 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -4.664 -6.764 -17.522 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -5.274 -7.506 -18.922 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -5.540 -8.213 -17.402 1.00 14.90 H new ATOM 1378 N ILE A 91 -4.631 -15.046 -18.999 1.00 16.40 N ATOM 1379 CA ILE A 91 -4.455 -16.323 -19.679 1.00 17.17 C ATOM 1380 C ILE A 91 -5.539 -17.309 -19.267 1.00 17.84 C ATOM 1381 O ILE A 91 -6.114 -18.003 -20.106 1.00 18.78 O ATOM 1382 CB ILE A 91 -3.076 -16.940 -19.374 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -1.980 -15.870 -19.443 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -2.779 -18.078 -20.340 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -1.879 -15.179 -20.789 1.00 16.20 C ATOM 0 H ILE A 91 -3.849 -14.776 -18.402 1.00 16.40 H new ATOM 0 HA ILE A 91 -4.526 -16.126 -20.749 1.00 17.17 H new ATOM 0 HB ILE A 91 -3.094 -17.344 -18.362 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -2.169 -15.121 -18.674 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -1.020 -16.331 -19.210 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -1.802 -18.503 -20.112 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -3.543 -18.849 -20.240 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -2.779 -17.698 -21.361 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -1.082 -14.436 -20.758 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -1.658 -15.916 -21.561 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -2.824 -14.687 -21.017 1.00 16.20 H new ATOM 1397 N PHE A 92 -5.810 -17.365 -17.968 1.00 17.43 N ATOM 1398 CA PHE A 92 -6.829 -18.260 -17.440 1.00 18.14 C ATOM 1399 C PHE A 92 -8.216 -17.824 -17.897 1.00 18.80 C ATOM 1400 O PHE A 92 -9.185 -18.576 -17.785 1.00 19.63 O ATOM 1401 CB PHE A 92 -6.750 -18.319 -15.911 1.00 17.63 C ATOM 1402 CG PHE A 92 -5.716 -19.293 -15.414 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -4.376 -19.124 -15.730 1.00 17.64 C ATOM 1404 CD2 PHE A 92 -6.083 -20.369 -14.619 1.00 17.12 C ATOM 1405 CE1 PHE A 92 -3.425 -20.010 -15.262 1.00 17.60 C ATOM 1406 CE2 PHE A 92 -5.134 -21.257 -14.148 1.00 17.07 C ATOM 1407 CZ PHE A 92 -3.810 -21.108 -14.519 1.00 17.34 C ATOM 0 H PHE A 92 -5.337 -16.800 -17.262 1.00 17.43 H new ATOM 0 HA PHE A 92 -6.645 -19.261 -17.829 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -6.521 -17.326 -15.526 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -7.725 -18.598 -15.513 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -4.073 -18.292 -16.348 1.00 17.64 H new ATOM 0 HD2 PHE A 92 -7.123 -20.515 -14.365 1.00 17.12 H new ATOM 0 HE1 PHE A 92 -2.380 -19.844 -15.477 1.00 17.60 H new ATOM 0 HE2 PHE A 92 -5.425 -22.064 -13.493 1.00 17.07 H new ATOM 0 HZ PHE A 92 -3.079 -21.848 -14.228 1.00 17.34 H new ATOM 1417 N ASP A 93 -8.300 -16.601 -18.411 1.00 18.51 N ATOM 1418 CA ASP A 93 -9.560 -16.057 -18.903 1.00 19.23 C ATOM 1419 C ASP A 93 -9.513 -15.892 -20.420 1.00 19.92 C ATOM 1420 O ASP A 93 -9.173 -14.823 -20.927 1.00 19.65 O ATOM 1421 CB ASP A 93 -9.855 -14.711 -18.239 1.00 18.69 C ATOM 1422 CG ASP A 93 -11.222 -14.171 -18.610 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -12.147 -14.986 -18.818 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -11.370 -12.933 -18.692 1.00 19.89 O ATOM 0 H ASP A 93 -7.507 -15.966 -18.498 1.00 18.51 H new ATOM 0 HA ASP A 93 -10.358 -16.756 -18.651 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -9.793 -14.822 -17.156 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -9.091 -13.990 -18.530 1.00 18.69 H new ATOM 1429 N ARG A 94 -9.857 -16.958 -21.138 1.00 20.90 N ATOM 1430 CA ARG A 94 -9.843 -16.935 -22.598 1.00 21.70 C ATOM 1431 C ARG A 94 -10.875 -15.956 -23.152 1.00 22.13 C ATOM 1432 O ARG A 94 -10.894 -15.679 -24.353 1.00 22.63 O ATOM 1433 CB ARG A 94 -10.106 -18.335 -23.156 1.00 22.67 C ATOM 1434 CG ARG A 94 -9.009 -19.337 -22.833 1.00 22.53 C ATOM 1435 CD ARG A 94 -9.423 -20.275 -21.710 1.00 22.13 C ATOM 1436 NE ARG A 94 -10.657 -20.990 -22.024 1.00 22.41 N ATOM 1437 CZ ARG A 94 -10.744 -21.940 -22.951 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -9.675 -22.286 -23.655 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -11.902 -22.546 -23.173 1.00 23.01 N ATOM 0 H ARG A 94 -10.149 -17.848 -20.733 1.00 20.90 H new ATOM 0 HA ARG A 94 -8.854 -16.601 -22.912 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -11.051 -18.704 -22.758 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -10.219 -18.270 -24.238 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -8.771 -19.918 -23.724 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -8.101 -18.805 -22.548 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -8.625 -20.993 -21.524 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -9.558 -19.704 -20.791 1.00 22.13 H new ATOM 0 HE ARG A 94 -11.500 -20.747 -21.503 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -8.782 -21.823 -23.487 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -9.746 -23.015 -24.365 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -12.727 -22.284 -22.633 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -11.968 -23.274 -23.884 1.00 23.01 H new ATOM 1453 N ASP A 95 -11.730 -15.434 -22.280 1.00 22.06 N ATOM 1454 CA ASP A 95 -12.759 -14.487 -22.696 1.00 22.57 C ATOM 1455 C ASP A 95 -12.409 -13.072 -22.251 1.00 21.80 C ATOM 1456 O ASP A 95 -11.565 -12.874 -21.377 1.00 20.81 O ATOM 1457 CB ASP A 95 -14.115 -14.881 -22.115 1.00 23.28 C ATOM 1458 CG ASP A 95 -14.460 -16.334 -22.357 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -14.195 -16.832 -23.471 1.00 24.00 O ATOM 1460 OD2 ASP A 95 -14.998 -16.974 -21.429 1.00 24.34 O ATOM 0 H ASP A 95 -11.732 -15.649 -21.283 1.00 22.06 H new ATOM 0 HA ASP A 95 -12.812 -14.511 -23.784 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -14.115 -14.687 -21.042 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -14.889 -14.251 -22.553 1.00 23.28 H new ATOM 1465 N GLY A 96 -13.068 -12.092 -22.860 1.00 22.31 N ATOM 1466 CA GLY A 96 -12.828 -10.704 -22.514 1.00 21.77 C ATOM 1467 C GLY A 96 -13.891 -10.157 -21.583 1.00 21.93 C ATOM 1468 O GLY A 96 -13.901 -8.967 -21.269 1.00 21.68 O ATOM 0 H GLY A 96 -13.766 -12.235 -23.589 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -11.850 -10.613 -22.041 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -12.799 -10.104 -23.423 1.00 21.77 H new ATOM 1472 N ASP A 97 -14.792 -11.033 -21.146 1.00 22.44 N ATOM 1473 CA ASP A 97 -15.874 -10.645 -20.249 1.00 22.79 C ATOM 1474 C ASP A 97 -15.330 -10.047 -18.955 1.00 21.82 C ATOM 1475 O ASP A 97 -15.910 -9.114 -18.399 1.00 22.02 O ATOM 1476 CB ASP A 97 -16.761 -11.853 -19.936 1.00 23.40 C ATOM 1477 CG ASP A 97 -16.040 -12.915 -19.124 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -15.047 -13.474 -19.631 1.00 22.35 O ATOM 1479 OD2 ASP A 97 -16.465 -13.184 -17.981 1.00 22.66 O ATOM 0 H ASP A 97 -14.793 -12.021 -21.401 1.00 22.44 H new ATOM 0 HA ASP A 97 -16.470 -9.883 -20.751 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -17.643 -11.519 -19.389 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -17.113 -12.292 -20.870 1.00 23.40 H new ATOM 1484 N GLY A 98 -14.211 -10.588 -18.481 1.00 20.85 N ATOM 1485 CA GLY A 98 -13.607 -10.096 -17.258 1.00 19.90 C ATOM 1486 C GLY A 98 -13.727 -11.088 -16.120 1.00 19.67 C ATOM 1487 O GLY A 98 -13.259 -10.832 -15.010 1.00 18.98 O ATOM 0 H GLY A 98 -13.712 -11.360 -18.924 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -12.554 -9.877 -17.437 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -14.083 -9.158 -16.972 1.00 19.90 H new ATOM 1491 N PHE A 99 -14.365 -12.221 -16.396 1.00 20.36 N ATOM 1492 CA PHE A 99 -14.547 -13.265 -15.396 1.00 20.37 C ATOM 1493 C PHE A 99 -14.176 -14.630 -15.977 1.00 20.60 C ATOM 1494 O PHE A 99 -14.213 -14.826 -17.194 1.00 21.08 O ATOM 1495 CB PHE A 99 -15.990 -13.279 -14.883 1.00 21.34 C ATOM 1496 CG PHE A 99 -16.649 -11.926 -14.874 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -16.217 -10.934 -14.005 1.00 21.38 C ATOM 1498 CD2 PHE A 99 -17.698 -11.644 -15.733 1.00 21.92 C ATOM 1499 CE1 PHE A 99 -16.820 -9.690 -13.996 1.00 21.65 C ATOM 1500 CE2 PHE A 99 -18.305 -10.402 -15.728 1.00 22.21 C ATOM 1501 CZ PHE A 99 -17.871 -9.427 -14.858 1.00 22.08 C ATOM 0 H PHE A 99 -14.766 -12.439 -17.308 1.00 20.36 H new ATOM 0 HA PHE A 99 -13.886 -13.052 -14.555 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -16.579 -13.955 -15.503 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -16.001 -13.684 -13.871 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -15.400 -11.136 -13.328 1.00 21.38 H new ATOM 0 HD2 PHE A 99 -18.047 -12.405 -16.416 1.00 21.92 H new ATOM 0 HE1 PHE A 99 -16.472 -8.925 -13.318 1.00 21.65 H new ATOM 0 HE2 PHE A 99 -19.120 -10.196 -16.407 1.00 22.21 H new ATOM 0 HZ PHE A 99 -18.350 -8.459 -14.848 1.00 22.08 H new ATOM 1511 N ILE A 100 -13.825 -15.573 -15.104 1.00 20.36 N ATOM 1512 CA ILE A 100 -13.430 -16.907 -15.546 1.00 20.66 C ATOM 1513 C ILE A 100 -14.440 -17.968 -15.119 1.00 21.62 C ATOM 1514 O ILE A 100 -15.067 -17.861 -14.065 1.00 21.77 O ATOM 1515 CB ILE A 100 -12.047 -17.293 -14.986 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -11.032 -16.181 -15.255 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -11.575 -18.607 -15.593 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -9.691 -16.408 -14.590 1.00 17.74 C ATOM 0 H ILE A 100 -13.806 -15.438 -14.093 1.00 20.36 H new ATOM 0 HA ILE A 100 -13.390 -16.870 -16.635 1.00 20.66 H new ATOM 0 HB ILE A 100 -12.135 -17.425 -13.908 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -10.883 -16.089 -16.331 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -11.444 -15.233 -14.908 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -10.597 -18.865 -15.187 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -12.288 -19.396 -15.352 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -11.502 -18.502 -16.676 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -9.023 -15.579 -14.825 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -9.826 -16.470 -13.510 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -9.257 -17.339 -14.955 1.00 17.74 H new ATOM 1530 N SER A 101 -14.581 -18.992 -15.955 1.00 22.35 N ATOM 1531 CA SER A 101 -15.497 -20.095 -15.693 1.00 23.35 C ATOM 1532 C SER A 101 -14.710 -21.392 -15.494 1.00 23.43 C ATOM 1533 O SER A 101 -13.603 -21.520 -16.010 1.00 22.96 O ATOM 1534 CB SER A 101 -16.477 -20.241 -16.863 1.00 24.38 C ATOM 1535 OG SER A 101 -17.330 -21.359 -16.693 1.00 24.61 O ATOM 0 H SER A 101 -14.065 -19.080 -16.830 1.00 22.35 H new ATOM 0 HA SER A 101 -16.061 -19.887 -14.784 1.00 23.35 H new ATOM 0 HB2 SER A 101 -17.077 -19.335 -16.951 1.00 24.38 H new ATOM 0 HB3 SER A 101 -15.920 -20.346 -17.794 1.00 24.38 H new ATOM 0 HG SER A 101 -17.943 -21.422 -17.455 1.00 24.61 H new ATOM 1541 N PRO A 102 -15.257 -22.370 -14.744 1.00 24.11 N ATOM 1542 CA PRO A 102 -14.567 -23.644 -14.498 1.00 24.36 C ATOM 1543 C PRO A 102 -14.099 -24.306 -15.791 1.00 24.64 C ATOM 1544 O PRO A 102 -13.063 -24.968 -15.821 1.00 24.44 O ATOM 1545 CB PRO A 102 -15.634 -24.499 -13.810 1.00 25.42 C ATOM 1546 CG PRO A 102 -16.548 -23.514 -13.168 1.00 25.38 C ATOM 1547 CD PRO A 102 -16.575 -22.322 -14.084 1.00 24.81 C ATOM 0 HA PRO A 102 -13.663 -23.512 -13.904 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -16.165 -25.123 -14.528 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -15.191 -25.168 -13.072 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -17.547 -23.932 -13.041 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -16.190 -23.237 -12.176 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -17.389 -22.388 -14.806 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -16.714 -21.393 -13.531 1.00 24.81 H new ATOM 1555 N ALA A 103 -14.872 -24.121 -16.855 1.00 25.18 N ATOM 1556 CA ALA A 103 -14.535 -24.688 -18.159 1.00 25.58 C ATOM 1557 C ALA A 103 -13.267 -24.049 -18.713 1.00 24.70 C ATOM 1558 O ALA A 103 -12.445 -24.708 -19.355 1.00 24.78 O ATOM 1559 CB ALA A 103 -15.685 -24.484 -19.129 1.00 26.36 C ATOM 0 H ALA A 103 -15.738 -23.582 -16.842 1.00 25.18 H new ATOM 0 HA ALA A 103 -14.358 -25.756 -18.034 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -15.424 -24.910 -20.098 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -16.577 -24.978 -18.744 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -15.881 -23.418 -19.242 1.00 26.36 H new ATOM 1565 N GLU A 104 -13.112 -22.761 -18.434 1.00 23.94 N ATOM 1566 CA GLU A 104 -11.961 -22.003 -18.898 1.00 23.10 C ATOM 1567 C GLU A 104 -10.760 -22.348 -18.047 1.00 22.34 C ATOM 1568 O GLU A 104 -9.680 -22.653 -18.549 1.00 22.06 O ATOM 1569 CB GLU A 104 -12.246 -20.503 -18.796 1.00 22.54 C ATOM 1570 CG GLU A 104 -13.176 -19.969 -19.871 1.00 23.20 C ATOM 1571 CD GLU A 104 -13.548 -18.516 -19.637 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -12.766 -17.629 -20.038 1.00 22.70 O ATOM 1573 OE2 GLU A 104 -14.623 -18.264 -19.052 1.00 22.57 O ATOM 0 H GLU A 104 -13.776 -22.217 -17.884 1.00 23.94 H new ATOM 0 HA GLU A 104 -11.760 -22.256 -19.939 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -12.681 -20.293 -17.819 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -11.302 -19.961 -18.847 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -12.697 -20.067 -20.845 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -14.082 -20.574 -19.899 1.00 23.20 H new ATOM 1580 N LEU A 105 -10.980 -22.300 -16.744 1.00 22.13 N ATOM 1581 CA LEU A 105 -9.956 -22.606 -15.770 1.00 21.50 C ATOM 1582 C LEU A 105 -9.335 -23.966 -16.063 1.00 22.09 C ATOM 1583 O LEU A 105 -8.116 -24.104 -16.167 1.00 21.66 O ATOM 1584 CB LEU A 105 -10.577 -22.615 -14.373 1.00 21.47 C ATOM 1585 CG LEU A 105 -9.597 -22.366 -13.237 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -9.429 -20.874 -12.995 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -10.054 -23.075 -11.971 1.00 20.76 C ATOM 0 H LEU A 105 -11.879 -22.046 -16.334 1.00 22.13 H new ATOM 0 HA LEU A 105 -9.175 -21.847 -15.823 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -11.358 -21.856 -14.333 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -11.061 -23.578 -14.212 1.00 21.47 H new ATOM 0 HG LEU A 105 -8.627 -22.774 -13.521 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -8.724 -20.715 -12.179 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -9.050 -20.399 -13.900 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -10.393 -20.437 -12.733 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -9.340 -22.885 -11.170 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -11.035 -22.701 -11.679 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -10.114 -24.147 -12.156 1.00 20.76 H new ATOM 1599 N ARG A 106 -10.203 -24.955 -16.213 1.00 23.15 N ATOM 1600 CA ARG A 106 -9.799 -26.324 -16.480 1.00 23.87 C ATOM 1601 C ARG A 106 -8.907 -26.419 -17.712 1.00 23.93 C ATOM 1602 O ARG A 106 -7.796 -26.937 -17.640 1.00 24.00 O ATOM 1603 CB ARG A 106 -11.049 -27.184 -16.668 1.00 25.01 C ATOM 1604 CG ARG A 106 -10.791 -28.677 -16.616 1.00 25.84 C ATOM 1605 CD ARG A 106 -10.580 -29.255 -18.004 1.00 26.70 C ATOM 1606 NE ARG A 106 -11.771 -29.115 -18.839 1.00 27.44 N ATOM 1607 CZ ARG A 106 -11.815 -29.447 -20.125 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -10.736 -29.929 -20.727 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -12.938 -29.295 -20.813 1.00 28.96 N ATOM 0 H ARG A 106 -11.213 -24.828 -16.152 1.00 23.15 H new ATOM 0 HA ARG A 106 -9.219 -26.685 -15.631 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -11.774 -26.925 -15.896 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -11.504 -26.939 -17.628 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -9.913 -28.874 -16.002 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -11.633 -29.176 -16.137 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -9.740 -28.752 -18.483 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -10.316 -30.309 -17.922 1.00 26.70 H new ATOM 0 HE ARG A 106 -12.617 -28.741 -18.410 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -9.869 -30.046 -20.203 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -10.773 -30.183 -21.714 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -13.770 -28.923 -20.355 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -12.970 -29.550 -21.800 1.00 28.96 H new ATOM 1623 N PHE A 107 -9.392 -25.904 -18.836 1.00 24.01 N ATOM 1624 CA PHE A 107 -8.638 -25.959 -20.086 1.00 24.21 C ATOM 1625 C PHE A 107 -7.284 -25.256 -19.982 1.00 23.32 C ATOM 1626 O PHE A 107 -6.340 -25.628 -20.676 1.00 23.61 O ATOM 1627 CB PHE A 107 -9.454 -25.342 -21.226 1.00 24.45 C ATOM 1628 CG PHE A 107 -8.876 -25.606 -22.588 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -7.927 -24.753 -23.129 1.00 25.30 C ATOM 1630 CD2 PHE A 107 -9.283 -26.706 -23.329 1.00 25.33 C ATOM 1631 CE1 PHE A 107 -7.394 -24.992 -24.382 1.00 25.91 C ATOM 1632 CE2 PHE A 107 -8.754 -26.948 -24.583 1.00 25.94 C ATOM 1633 CZ PHE A 107 -7.806 -26.101 -25.107 1.00 26.22 C ATOM 0 H PHE A 107 -10.300 -25.445 -18.909 1.00 24.01 H new ATOM 0 HA PHE A 107 -8.447 -27.011 -20.296 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -10.470 -25.735 -21.189 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -9.523 -24.265 -21.072 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -7.600 -23.892 -22.565 1.00 25.30 H new ATOM 0 HD2 PHE A 107 -10.021 -27.381 -22.922 1.00 25.33 H new ATOM 0 HE1 PHE A 107 -6.659 -24.317 -24.795 1.00 25.91 H new ATOM 0 HE2 PHE A 107 -9.086 -27.804 -25.152 1.00 25.94 H new ATOM 0 HZ PHE A 107 -7.383 -26.299 -26.081 1.00 26.22 H new ATOM 1643 N VAL A 108 -7.181 -24.251 -19.113 1.00 22.31 N ATOM 1644 CA VAL A 108 -5.933 -23.497 -18.968 1.00 21.42 C ATOM 1645 C VAL A 108 -4.891 -24.225 -18.122 1.00 21.31 C ATOM 1646 O VAL A 108 -3.759 -24.405 -18.562 1.00 21.31 O ATOM 1647 CB VAL A 108 -6.179 -22.100 -18.373 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -4.864 -21.346 -18.232 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -7.155 -21.323 -19.242 1.00 20.26 C ATOM 0 H VAL A 108 -7.938 -23.941 -18.503 1.00 22.31 H new ATOM 0 HA VAL A 108 -5.538 -23.397 -19.979 1.00 21.42 H new ATOM 0 HB VAL A 108 -6.616 -22.212 -17.381 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -5.054 -20.359 -17.810 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -4.196 -21.900 -17.573 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -4.400 -21.238 -19.212 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -7.321 -20.336 -18.810 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -6.743 -21.215 -20.245 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -8.102 -21.860 -19.295 1.00 20.26 H new ATOM 1659 N MET A 109 -5.256 -24.623 -16.905 1.00 21.33 N ATOM 1660 CA MET A 109 -4.320 -25.323 -16.028 1.00 21.35 C ATOM 1661 C MET A 109 -3.648 -26.484 -16.750 1.00 22.24 C ATOM 1662 O MET A 109 -2.507 -26.833 -16.453 1.00 22.21 O ATOM 1663 CB MET A 109 -5.028 -25.820 -14.773 1.00 21.65 C ATOM 1664 CG MET A 109 -5.249 -24.727 -13.744 1.00 20.93 C ATOM 1665 SD MET A 109 -6.431 -25.198 -12.472 1.00 20.76 S ATOM 1666 CE MET A 109 -7.924 -25.291 -13.451 1.00 21.25 C ATOM 0 H MET A 109 -6.183 -24.475 -16.507 1.00 21.33 H new ATOM 0 HA MET A 109 -3.546 -24.613 -15.736 1.00 21.35 H new ATOM 0 HB2 MET A 109 -5.991 -26.249 -15.051 1.00 21.65 H new ATOM 0 HB3 MET A 109 -4.440 -26.621 -14.324 1.00 21.65 H new ATOM 0 HG2 MET A 109 -4.297 -24.478 -13.275 1.00 20.93 H new ATOM 0 HG3 MET A 109 -5.602 -23.827 -14.247 1.00 20.93 H new ATOM 0 HE1 MET A 109 -8.793 -25.236 -12.795 1.00 21.25 H new ATOM 0 HE2 MET A 109 -7.949 -24.460 -14.156 1.00 21.25 H new ATOM 0 HE3 MET A 109 -7.942 -26.233 -13.999 1.00 21.25 H new ATOM 1676 N ILE A 110 -4.359 -27.078 -17.700 1.00 23.11 N ATOM 1677 CA ILE A 110 -3.815 -28.187 -18.469 1.00 24.06 C ATOM 1678 C ILE A 110 -2.652 -27.708 -19.335 1.00 23.82 C ATOM 1679 O ILE A 110 -1.695 -28.445 -19.575 1.00 24.33 O ATOM 1680 CB ILE A 110 -4.897 -28.838 -19.353 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -6.062 -29.320 -18.478 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -4.305 -29.990 -20.157 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -7.154 -30.031 -19.246 1.00 26.28 C ATOM 0 H ILE A 110 -5.310 -26.811 -17.955 1.00 23.11 H new ATOM 0 HA ILE A 110 -3.454 -28.938 -17.766 1.00 24.06 H new ATOM 0 HB ILE A 110 -5.276 -28.098 -20.058 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -5.674 -29.992 -17.712 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -6.494 -28.463 -17.961 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -5.082 -30.439 -20.776 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -3.505 -29.615 -20.795 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -3.905 -30.741 -19.476 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -7.941 -30.341 -18.558 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -7.571 -29.357 -19.994 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -6.738 -30.909 -19.741 1.00 26.28 H new ATOM 1695 N ASN A 111 -2.747 -26.463 -19.797 1.00 23.14 N ATOM 1696 CA ASN A 111 -1.701 -25.862 -20.618 1.00 22.94 C ATOM 1697 C ASN A 111 -0.410 -25.723 -19.821 1.00 22.38 C ATOM 1698 O ASN A 111 0.658 -26.150 -20.264 1.00 22.72 O ATOM 1699 CB ASN A 111 -2.137 -24.482 -21.122 1.00 22.34 C ATOM 1700 CG ASN A 111 -3.276 -24.557 -22.119 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -4.442 -24.421 -21.757 1.00 23.74 O ATOM 1702 ND2 ASN A 111 -2.940 -24.777 -23.385 1.00 23.04 N ATOM 0 H ASN A 111 -3.541 -25.850 -19.615 1.00 23.14 H new ATOM 0 HA ASN A 111 -1.527 -26.516 -21.472 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -2.442 -23.869 -20.274 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -1.286 -23.983 -21.586 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -3.664 -24.839 -24.101 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -1.958 -24.884 -23.641 1.00 23.04 H new ATOM 1709 N LEU A 112 -0.520 -25.119 -18.642 1.00 21.58 N ATOM 1710 CA LEU A 112 0.633 -24.912 -17.773 1.00 21.04 C ATOM 1711 C LEU A 112 1.226 -26.245 -17.325 1.00 21.87 C ATOM 1712 O LEU A 112 2.420 -26.339 -17.039 1.00 21.84 O ATOM 1713 CB LEU A 112 0.242 -24.074 -16.552 1.00 20.05 C ATOM 1714 CG LEU A 112 -0.261 -22.658 -16.858 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -1.711 -22.683 -17.311 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -0.101 -21.762 -15.640 1.00 18.68 C ATOM 0 H LEU A 112 -1.399 -24.763 -18.266 1.00 21.58 H new ATOM 0 HA LEU A 112 1.390 -24.373 -18.343 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -0.534 -24.606 -16.001 1.00 20.05 H new ATOM 0 HB3 LEU A 112 1.106 -23.999 -15.892 1.00 20.05 H new ATOM 0 HG LEU A 112 0.342 -22.253 -17.671 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -2.044 -21.667 -17.522 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -1.800 -23.288 -18.213 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -2.331 -23.112 -16.524 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -0.463 -20.761 -15.875 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -0.677 -22.171 -14.810 1.00 18.68 H new ATOM 0 HD23 LEU A 112 0.952 -21.711 -15.361 1.00 18.68 H new ATOM 1728 N GLY A 113 0.383 -27.275 -17.267 1.00 22.70 N ATOM 1729 CA GLY A 113 0.846 -28.590 -16.858 1.00 23.62 C ATOM 1730 C GLY A 113 0.240 -29.039 -15.542 1.00 23.76 C ATOM 1731 O GLY A 113 0.583 -30.103 -15.026 1.00 24.44 O ATOM 0 H GLY A 113 -0.610 -27.222 -17.496 1.00 22.70 H new ATOM 0 HA2 GLY A 113 0.599 -29.315 -17.633 1.00 23.62 H new ATOM 0 HA3 GLY A 113 1.932 -28.577 -16.768 1.00 23.62 H new ATOM 1735 N GLU A 114 -0.662 -28.229 -15.000 1.00 23.22 N ATOM 1736 CA GLU A 114 -1.314 -28.548 -13.735 1.00 23.41 C ATOM 1737 C GLU A 114 -2.567 -29.391 -13.959 1.00 24.22 C ATOM 1738 O GLU A 114 -3.650 -28.857 -14.196 1.00 24.14 O ATOM 1739 CB GLU A 114 -1.684 -27.263 -12.993 1.00 22.59 C ATOM 1740 CG GLU A 114 -0.496 -26.359 -12.706 1.00 21.89 C ATOM 1741 CD GLU A 114 -0.895 -25.082 -11.996 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -1.205 -24.089 -12.688 1.00 21.97 O ATOM 1743 OE2 GLU A 114 -0.899 -25.073 -10.747 1.00 21.76 O ATOM 0 H GLU A 114 -0.959 -27.346 -15.417 1.00 23.22 H new ATOM 0 HA GLU A 114 -0.613 -29.125 -13.133 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -2.415 -26.711 -13.583 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -2.167 -27.524 -12.051 1.00 22.59 H new ATOM 0 HG2 GLU A 114 0.228 -26.899 -12.096 1.00 21.89 H new ATOM 0 HG3 GLU A 114 0.001 -26.109 -13.643 1.00 21.89 H new ATOM 1750 N LYS A 115 -2.413 -30.710 -13.883 1.00 25.07 N ATOM 1751 CA LYS A 115 -3.539 -31.620 -14.070 1.00 25.94 C ATOM 1752 C LYS A 115 -4.568 -31.423 -12.961 1.00 25.87 C ATOM 1753 O LYS A 115 -4.232 -31.451 -11.777 1.00 26.08 O ATOM 1754 CB LYS A 115 -3.061 -33.073 -14.094 1.00 27.05 C ATOM 1755 CG LYS A 115 -2.297 -33.488 -12.845 1.00 27.83 C ATOM 1756 CD LYS A 115 -1.926 -34.964 -12.879 1.00 28.38 C ATOM 1757 CE LYS A 115 -3.156 -35.855 -12.807 1.00 29.16 C ATOM 1758 NZ LYS A 115 -3.953 -35.602 -11.573 1.00 29.75 N ATOM 0 H LYS A 115 -1.523 -31.171 -13.694 1.00 25.07 H new ATOM 0 HA LYS A 115 -4.006 -31.395 -15.029 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -3.924 -33.728 -14.215 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -2.423 -33.222 -14.965 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -1.392 -32.887 -12.755 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -2.904 -33.285 -11.963 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -1.374 -35.179 -13.794 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -1.262 -35.192 -12.045 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -3.780 -35.684 -13.684 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -2.849 -36.901 -12.833 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -4.602 -36.398 -11.410 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -3.312 -35.506 -10.760 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -4.501 -34.726 -11.687 1.00 29.75 H new ATOM 1772 N VAL A 116 -5.822 -31.224 -13.351 1.00 25.67 N ATOM 1773 CA VAL A 116 -6.894 -31.009 -12.387 1.00 25.69 C ATOM 1774 C VAL A 116 -8.234 -31.505 -12.907 1.00 26.53 C ATOM 1775 O VAL A 116 -8.449 -31.615 -14.115 1.00 26.78 O ATOM 1776 CB VAL A 116 -7.045 -29.520 -12.031 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -5.982 -29.084 -11.037 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -6.998 -28.665 -13.287 1.00 24.02 C ATOM 0 H VAL A 116 -6.121 -31.207 -14.326 1.00 25.67 H new ATOM 0 HA VAL A 116 -6.614 -31.577 -11.500 1.00 25.69 H new ATOM 0 HB VAL A 116 -8.017 -29.381 -11.558 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -6.113 -28.027 -10.804 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -6.075 -29.671 -10.124 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -4.994 -29.240 -11.469 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -7.106 -27.615 -13.016 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -6.044 -28.813 -13.792 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -7.810 -28.953 -13.954 1.00 24.02 H new ATOM 1788 N THR A 117 -9.131 -31.806 -11.976 1.00 27.04 N ATOM 1789 CA THR A 117 -10.465 -32.272 -12.313 1.00 27.90 C ATOM 1790 C THR A 117 -11.465 -31.138 -12.148 1.00 27.38 C ATOM 1791 O THR A 117 -11.325 -30.303 -11.255 1.00 26.61 O ATOM 1792 CB THR A 117 -10.891 -33.458 -11.427 1.00 28.88 C ATOM 1793 OG1 THR A 117 -10.855 -33.077 -10.046 1.00 28.45 O ATOM 1794 CG2 THR A 117 -9.980 -34.654 -11.652 1.00 29.54 C ATOM 0 H THR A 117 -8.954 -31.734 -10.974 1.00 27.04 H new ATOM 0 HA THR A 117 -10.447 -32.608 -13.350 1.00 27.90 H new ATOM 0 HB THR A 117 -11.908 -33.739 -11.699 1.00 28.88 H new ATOM 0 HG1 THR A 117 -11.129 -33.836 -9.490 1.00 28.45 H new ATOM 0 HG21 THR A 117 -10.300 -35.480 -11.016 1.00 29.54 H new ATOM 0 HG22 THR A 117 -10.032 -34.960 -12.697 1.00 29.54 H new ATOM 0 HG23 THR A 117 -8.954 -34.382 -11.405 1.00 29.54 H new ATOM 1802 N ASP A 118 -12.469 -31.113 -13.014 1.00 27.85 N ATOM 1803 CA ASP A 118 -13.490 -30.073 -12.975 1.00 27.53 C ATOM 1804 C ASP A 118 -14.067 -29.902 -11.573 1.00 27.56 C ATOM 1805 O ASP A 118 -14.589 -28.841 -11.239 1.00 27.11 O ATOM 1806 CB ASP A 118 -14.612 -30.402 -13.961 1.00 28.39 C ATOM 1807 CG ASP A 118 -14.113 -30.498 -15.390 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -13.701 -31.602 -15.804 1.00 28.40 O ATOM 1809 OD2 ASP A 118 -14.135 -29.467 -16.097 1.00 28.58 O ATOM 0 H ASP A 118 -12.599 -31.803 -13.754 1.00 27.85 H new ATOM 0 HA ASP A 118 -13.016 -29.133 -13.260 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -15.077 -31.346 -13.677 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -15.384 -29.635 -13.899 1.00 28.39 H new ATOM 1814 N GLU A 119 -13.958 -30.941 -10.749 1.00 28.18 N ATOM 1815 CA GLU A 119 -14.492 -30.899 -9.389 1.00 28.39 C ATOM 1816 C GLU A 119 -13.567 -30.156 -8.426 1.00 27.39 C ATOM 1817 O GLU A 119 -13.991 -29.210 -7.760 1.00 26.99 O ATOM 1818 CB GLU A 119 -14.744 -32.318 -8.875 1.00 29.53 C ATOM 1819 CG GLU A 119 -15.814 -33.064 -9.655 1.00 30.59 C ATOM 1820 CD GLU A 119 -16.085 -34.449 -9.100 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -16.914 -34.566 -8.172 1.00 32.06 O ATOM 1822 OE2 GLU A 119 -15.467 -35.416 -9.591 1.00 31.92 O ATOM 0 H GLU A 119 -13.506 -31.821 -10.998 1.00 28.18 H new ATOM 0 HA GLU A 119 -15.433 -30.350 -9.431 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -13.813 -32.883 -8.920 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -15.037 -32.269 -7.826 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -16.737 -32.485 -9.642 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -15.506 -33.149 -10.697 1.00 30.59 H new ATOM 1829 N GLU A 120 -12.308 -30.584 -8.349 1.00 27.04 N ATOM 1830 CA GLU A 120 -11.345 -29.961 -7.443 1.00 26.15 C ATOM 1831 C GLU A 120 -11.191 -28.466 -7.716 1.00 24.97 C ATOM 1832 O GLU A 120 -11.145 -27.661 -6.783 1.00 24.41 O ATOM 1833 CB GLU A 120 -9.986 -30.660 -7.533 1.00 26.05 C ATOM 1834 CG GLU A 120 -9.311 -30.534 -8.887 1.00 25.61 C ATOM 1835 CD GLU A 120 -7.961 -31.222 -8.923 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -6.987 -30.644 -8.396 1.00 24.93 O ATOM 1837 OE2 GLU A 120 -7.877 -32.339 -9.474 1.00 26.13 O ATOM 0 H GLU A 120 -11.932 -31.356 -8.900 1.00 27.04 H new ATOM 0 HA GLU A 120 -11.734 -30.074 -6.431 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -9.326 -30.247 -6.770 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -10.117 -31.717 -7.302 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -9.956 -30.964 -9.653 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -9.185 -29.479 -9.131 1.00 25.61 H new ATOM 1844 N ILE A 121 -11.125 -28.089 -8.988 1.00 24.65 N ATOM 1845 CA ILE A 121 -10.966 -26.686 -9.344 1.00 23.60 C ATOM 1846 C ILE A 121 -12.269 -25.912 -9.172 1.00 23.80 C ATOM 1847 O ILE A 121 -12.249 -24.736 -8.808 1.00 23.05 O ATOM 1848 CB ILE A 121 -10.426 -26.511 -10.776 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -11.382 -27.119 -11.802 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -9.053 -27.151 -10.881 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -11.064 -26.733 -13.230 1.00 24.19 C ATOM 0 H ILE A 121 -11.179 -28.728 -9.781 1.00 24.65 H new ATOM 0 HA ILE A 121 -10.228 -26.274 -8.655 1.00 23.60 H new ATOM 0 HB ILE A 121 -10.344 -25.446 -10.992 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -11.354 -28.205 -11.713 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -12.400 -26.806 -11.568 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -8.670 -27.027 -11.894 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -8.374 -26.672 -10.176 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -9.128 -28.213 -10.649 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -11.783 -27.201 -13.902 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -11.120 -25.650 -13.335 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -10.059 -27.070 -13.483 1.00 24.19 H new ATOM 1863 N ASP A 122 -13.403 -26.565 -9.432 1.00 24.87 N ATOM 1864 CA ASP A 122 -14.697 -25.910 -9.261 1.00 25.26 C ATOM 1865 C ASP A 122 -14.854 -25.457 -7.816 1.00 25.13 C ATOM 1866 O ASP A 122 -15.427 -24.402 -7.540 1.00 24.95 O ATOM 1867 CB ASP A 122 -15.843 -26.850 -9.639 1.00 26.55 C ATOM 1868 CG ASP A 122 -17.204 -26.220 -9.416 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -17.735 -26.336 -8.292 1.00 27.39 O ATOM 1870 OD2 ASP A 122 -17.740 -25.611 -10.367 1.00 27.28 O ATOM 0 H ASP A 122 -13.451 -27.531 -9.756 1.00 24.87 H new ATOM 0 HA ASP A 122 -14.735 -25.044 -9.922 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -15.745 -27.135 -10.686 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -15.768 -27.765 -9.051 1.00 26.55 H new ATOM 1875 N GLU A 123 -14.337 -26.268 -6.896 1.00 25.32 N ATOM 1876 CA GLU A 123 -14.397 -25.953 -5.477 1.00 25.30 C ATOM 1877 C GLU A 123 -13.473 -24.784 -5.164 1.00 24.05 C ATOM 1878 O GLU A 123 -13.821 -23.898 -4.383 1.00 23.89 O ATOM 1879 CB GLU A 123 -14.006 -27.171 -4.638 1.00 25.91 C ATOM 1880 CG GLU A 123 -14.990 -28.324 -4.745 1.00 27.23 C ATOM 1881 CD GLU A 123 -14.576 -29.521 -3.912 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -14.897 -29.544 -2.705 1.00 28.28 O ATOM 1883 OE2 GLU A 123 -13.932 -30.436 -4.467 1.00 27.98 O ATOM 0 H GLU A 123 -13.871 -27.149 -7.112 1.00 25.32 H new ATOM 0 HA GLU A 123 -15.421 -25.676 -5.226 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -13.020 -27.515 -4.950 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -13.923 -26.871 -3.593 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -15.976 -27.987 -4.425 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -15.079 -28.625 -5.789 1.00 27.23 H new ATOM 1890 N MET A 124 -12.293 -24.789 -5.778 1.00 23.22 N ATOM 1891 CA MET A 124 -11.326 -23.720 -5.577 1.00 21.99 C ATOM 1892 C MET A 124 -11.915 -22.385 -6.021 1.00 21.54 C ATOM 1893 O MET A 124 -11.606 -21.336 -5.456 1.00 20.82 O ATOM 1894 CB MET A 124 -10.040 -24.015 -6.352 1.00 21.32 C ATOM 1895 CG MET A 124 -9.065 -22.852 -6.371 1.00 20.01 C ATOM 1896 SD MET A 124 -7.502 -23.262 -7.171 1.00 19.35 S ATOM 1897 CE MET A 124 -8.040 -23.508 -8.860 1.00 19.76 C ATOM 0 H MET A 124 -11.986 -25.522 -6.418 1.00 23.22 H new ATOM 0 HA MET A 124 -11.087 -23.661 -4.515 1.00 21.99 H new ATOM 0 HB2 MET A 124 -9.550 -24.883 -5.910 1.00 21.32 H new ATOM 0 HB3 MET A 124 -10.296 -24.281 -7.378 1.00 21.32 H new ATOM 0 HG2 MET A 124 -9.523 -22.009 -6.889 1.00 20.01 H new ATOM 0 HG3 MET A 124 -8.871 -22.530 -5.348 1.00 20.01 H new ATOM 0 HE1 MET A 124 -7.383 -22.959 -9.535 1.00 19.76 H new ATOM 0 HE2 MET A 124 -8.004 -24.570 -9.102 1.00 19.76 H new ATOM 0 HE3 MET A 124 -9.061 -23.145 -8.973 1.00 19.76 H new ATOM 1907 N ILE A 125 -12.769 -22.437 -7.040 1.00 22.08 N ATOM 1908 CA ILE A 125 -13.413 -21.240 -7.563 1.00 21.89 C ATOM 1909 C ILE A 125 -14.434 -20.699 -6.571 1.00 22.49 C ATOM 1910 O ILE A 125 -14.506 -19.493 -6.340 1.00 22.09 O ATOM 1911 CB ILE A 125 -14.105 -21.522 -8.914 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -13.054 -21.815 -9.988 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -14.987 -20.349 -9.325 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -13.639 -22.182 -11.336 1.00 22.55 C ATOM 0 H ILE A 125 -13.030 -23.299 -7.520 1.00 22.08 H new ATOM 0 HA ILE A 125 -12.635 -20.493 -7.719 1.00 21.89 H new ATOM 0 HB ILE A 125 -14.745 -22.398 -8.803 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -12.416 -20.939 -10.106 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -12.416 -22.630 -9.646 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -15.464 -20.570 -10.280 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -15.752 -20.185 -8.566 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -14.376 -19.452 -9.424 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -12.832 -22.375 -12.043 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -14.254 -23.076 -11.235 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -14.253 -21.359 -11.702 1.00 22.55 H new ATOM 1926 N ARG A 126 -15.220 -21.597 -5.987 1.00 23.53 N ATOM 1927 CA ARG A 126 -16.235 -21.207 -5.016 1.00 24.28 C ATOM 1928 C ARG A 126 -15.588 -20.634 -3.759 1.00 23.77 C ATOM 1929 O ARG A 126 -16.075 -19.658 -3.187 1.00 23.91 O ATOM 1930 CB ARG A 126 -17.115 -22.405 -4.652 1.00 25.52 C ATOM 1931 CG ARG A 126 -18.204 -22.076 -3.644 1.00 26.44 C ATOM 1932 CD ARG A 126 -19.065 -23.290 -3.337 1.00 27.30 C ATOM 1933 NE ARG A 126 -20.096 -22.992 -2.347 1.00 28.16 N ATOM 1934 CZ ARG A 126 -21.289 -23.578 -2.326 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -21.603 -24.487 -3.239 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -22.169 -23.255 -1.388 1.00 29.80 N ATOM 0 H ARG A 126 -15.174 -22.600 -6.169 1.00 23.53 H new ATOM 0 HA ARG A 126 -16.858 -20.436 -5.468 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -17.577 -22.795 -5.559 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -16.486 -23.198 -4.249 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -17.750 -21.709 -2.724 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -18.831 -21.273 -4.033 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -19.535 -23.643 -4.255 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -18.433 -24.099 -2.971 1.00 27.30 H new ATOM 0 HE ARG A 126 -19.889 -22.295 -1.631 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -20.928 -24.739 -3.961 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -22.520 -24.934 -3.219 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -21.930 -22.557 -0.683 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -23.085 -23.704 -1.371 1.00 29.80 H new ATOM 1950 N GLU A 127 -14.486 -21.247 -3.337 1.00 23.26 N ATOM 1951 CA GLU A 127 -13.767 -20.799 -2.150 1.00 22.80 C ATOM 1952 C GLU A 127 -13.192 -19.403 -2.360 1.00 21.68 C ATOM 1953 O GLU A 127 -13.038 -18.635 -1.409 1.00 21.50 O ATOM 1954 CB GLU A 127 -12.645 -21.780 -1.804 1.00 22.59 C ATOM 1955 CG GLU A 127 -13.145 -23.146 -1.362 1.00 23.70 C ATOM 1956 CD GLU A 127 -12.017 -24.117 -1.082 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -11.524 -24.140 0.065 1.00 24.13 O ATOM 1958 OE2 GLU A 127 -11.627 -24.856 -2.010 1.00 23.95 O ATOM 0 H GLU A 127 -14.072 -22.056 -3.800 1.00 23.26 H new ATOM 0 HA GLU A 127 -14.473 -20.762 -1.320 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -12.000 -21.903 -2.674 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -12.032 -21.353 -1.010 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -13.753 -23.033 -0.465 1.00 23.70 H new ATOM 0 HG3 GLU A 127 -13.792 -23.560 -2.136 1.00 23.70 H new ATOM 1965 N ALA A 128 -12.876 -19.081 -3.610 1.00 21.01 N ATOM 1966 CA ALA A 128 -12.327 -17.774 -3.949 1.00 19.97 C ATOM 1967 C ALA A 128 -13.433 -16.827 -4.400 1.00 20.40 C ATOM 1968 O ALA A 128 -13.236 -15.614 -4.477 1.00 19.88 O ATOM 1969 CB ALA A 128 -11.266 -17.910 -5.033 1.00 19.05 C ATOM 0 H ALA A 128 -12.991 -19.709 -4.406 1.00 21.01 H new ATOM 0 HA ALA A 128 -11.861 -17.355 -3.058 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -10.865 -16.926 -5.276 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -10.461 -18.552 -4.675 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -11.712 -18.350 -5.925 1.00 19.05 H new ATOM 1975 N ASP A 129 -14.599 -17.394 -4.694 1.00 21.43 N ATOM 1976 CA ASP A 129 -15.748 -16.612 -5.136 1.00 22.05 C ATOM 1977 C ASP A 129 -16.546 -16.108 -3.938 1.00 22.75 C ATOM 1978 O ASP A 129 -17.306 -16.857 -3.325 1.00 23.69 O ATOM 1979 CB ASP A 129 -16.635 -17.460 -6.050 1.00 22.95 C ATOM 1980 CG ASP A 129 -17.905 -16.744 -6.461 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -17.834 -15.529 -6.735 1.00 23.96 O ATOM 1982 OD2 ASP A 129 -18.969 -17.396 -6.500 1.00 24.38 O ATOM 0 H ASP A 129 -14.773 -18.397 -4.634 1.00 21.43 H new ATOM 0 HA ASP A 129 -15.390 -15.748 -5.695 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -16.073 -17.735 -6.942 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -16.895 -18.387 -5.539 1.00 22.95 H new ATOM 1987 N PHE A 130 -16.369 -14.831 -3.614 1.00 22.35 N ATOM 1988 CA PHE A 130 -17.058 -14.223 -2.480 1.00 23.04 C ATOM 1989 C PHE A 130 -18.453 -13.735 -2.865 1.00 24.02 C ATOM 1990 O PHE A 130 -19.441 -14.085 -2.219 1.00 25.05 O ATOM 1991 CB PHE A 130 -16.237 -13.059 -1.926 1.00 22.22 C ATOM 1992 CG PHE A 130 -14.871 -13.458 -1.444 1.00 21.35 C ATOM 1993 CD1 PHE A 130 -14.702 -14.022 -0.189 1.00 20.73 C ATOM 1994 CD2 PHE A 130 -13.756 -13.270 -2.246 1.00 21.23 C ATOM 1995 CE1 PHE A 130 -13.446 -14.391 0.256 1.00 20.01 C ATOM 1996 CE2 PHE A 130 -12.499 -13.637 -1.805 1.00 20.51 C ATOM 1997 CZ PHE A 130 -12.344 -14.197 -0.550 1.00 19.90 C ATOM 0 H PHE A 130 -15.753 -14.196 -4.122 1.00 22.35 H new ATOM 0 HA PHE A 130 -17.168 -14.989 -1.712 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -16.132 -12.299 -2.701 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -16.784 -12.600 -1.102 1.00 22.22 H new ATOM 0 HD1 PHE A 130 -15.561 -14.175 0.448 1.00 20.73 H new ATOM 0 HD2 PHE A 130 -13.871 -12.832 -3.226 1.00 21.23 H new ATOM 0 HE1 PHE A 130 -13.328 -14.831 1.235 1.00 20.01 H new ATOM 0 HE2 PHE A 130 -11.638 -13.487 -2.440 1.00 20.51 H new ATOM 0 HZ PHE A 130 -11.362 -14.482 -0.202 1.00 19.90 H new ATOM 2007 N ASP A 131 -18.527 -12.924 -3.918 1.00 23.76 N ATOM 2008 CA ASP A 131 -19.802 -12.380 -4.378 1.00 24.71 C ATOM 2009 C ASP A 131 -20.816 -13.486 -4.663 1.00 25.78 C ATOM 2010 O ASP A 131 -22.024 -13.264 -4.581 1.00 26.78 O ATOM 2011 CB ASP A 131 -19.600 -11.521 -5.628 1.00 24.21 C ATOM 2012 CG ASP A 131 -18.690 -12.179 -6.648 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -19.087 -13.215 -7.219 1.00 23.46 O ATOM 2014 OD2 ASP A 131 -17.582 -11.651 -6.879 1.00 22.53 O ATOM 0 H ASP A 131 -17.720 -12.630 -4.468 1.00 23.76 H new ATOM 0 HA ASP A 131 -20.199 -11.757 -3.577 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -20.568 -11.320 -6.087 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -19.179 -10.558 -5.338 1.00 24.21 H new ATOM 2019 N GLY A 132 -20.321 -14.674 -4.995 1.00 25.60 N ATOM 2020 CA GLY A 132 -21.206 -15.789 -5.282 1.00 26.62 C ATOM 2021 C GLY A 132 -21.915 -15.639 -6.614 1.00 26.95 C ATOM 2022 O GLY A 132 -22.958 -14.992 -6.702 1.00 27.86 O ATOM 0 H GLY A 132 -19.326 -14.885 -5.070 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -20.631 -16.715 -5.282 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -21.947 -15.875 -4.487 1.00 26.62 H new ATOM 2026 N ASP A 133 -21.347 -16.243 -7.654 1.00 26.26 N ATOM 2027 CA ASP A 133 -21.930 -16.176 -8.990 1.00 26.58 C ATOM 2028 C ASP A 133 -21.434 -17.326 -9.862 1.00 26.27 C ATOM 2029 O ASP A 133 -22.130 -17.768 -10.777 1.00 26.65 O ATOM 2030 CB ASP A 133 -21.595 -14.837 -9.650 1.00 26.12 C ATOM 2031 CG ASP A 133 -20.117 -14.693 -9.957 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -19.291 -15.076 -9.101 1.00 24.32 O ATOM 2033 OD2 ASP A 133 -19.785 -14.195 -11.053 1.00 24.55 O ATOM 0 H ASP A 133 -20.484 -16.784 -7.597 1.00 26.26 H new ATOM 0 HA ASP A 133 -23.012 -16.263 -8.890 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -22.166 -14.738 -10.573 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -21.907 -14.024 -8.994 1.00 26.12 H new ATOM 2038 N GLY A 134 -20.228 -17.807 -9.572 1.00 25.66 N ATOM 2039 CA GLY A 134 -19.660 -18.902 -10.338 1.00 25.42 C ATOM 2040 C GLY A 134 -18.596 -18.433 -11.310 1.00 24.43 C ATOM 2041 O GLY A 134 -18.202 -19.169 -12.215 1.00 24.42 O ATOM 0 H GLY A 134 -19.634 -17.458 -8.820 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -19.228 -19.634 -9.656 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -20.454 -19.408 -10.888 1.00 25.42 H new ATOM 2045 N MET A 135 -18.132 -17.202 -11.121 1.00 23.66 N ATOM 2046 CA MET A 135 -17.108 -16.626 -11.986 1.00 22.72 C ATOM 2047 C MET A 135 -15.974 -16.035 -11.152 1.00 21.56 C ATOM 2048 O MET A 135 -16.175 -15.666 -9.993 1.00 21.55 O ATOM 2049 CB MET A 135 -17.716 -15.547 -12.882 1.00 23.01 C ATOM 2050 CG MET A 135 -18.946 -16.011 -13.649 1.00 24.25 C ATOM 2051 SD MET A 135 -18.570 -17.293 -14.862 1.00 24.43 S ATOM 2052 CE MET A 135 -17.578 -16.372 -16.034 1.00 23.79 C ATOM 0 H MET A 135 -18.449 -16.583 -10.375 1.00 23.66 H new ATOM 0 HA MET A 135 -16.703 -17.419 -12.614 1.00 22.72 H new ATOM 0 HB2 MET A 135 -17.984 -14.687 -12.269 1.00 23.01 H new ATOM 0 HB3 MET A 135 -16.961 -15.209 -13.593 1.00 23.01 H new ATOM 0 HG2 MET A 135 -19.687 -16.390 -12.945 1.00 24.25 H new ATOM 0 HG3 MET A 135 -19.396 -15.158 -14.156 1.00 24.25 H new ATOM 0 HE1 MET A 135 -17.462 -16.953 -16.949 1.00 23.79 H new ATOM 0 HE2 MET A 135 -18.070 -15.427 -16.264 1.00 23.79 H new ATOM 0 HE3 MET A 135 -16.596 -16.174 -15.603 1.00 23.79 H new ATOM 2062 N ILE A 136 -14.788 -15.937 -11.748 1.00 20.64 N ATOM 2063 CA ILE A 136 -13.624 -15.399 -11.047 1.00 19.48 C ATOM 2064 C ILE A 136 -13.161 -14.077 -11.650 1.00 18.80 C ATOM 2065 O ILE A 136 -13.045 -13.937 -12.866 1.00 18.85 O ATOM 2066 CB ILE A 136 -12.440 -16.390 -11.067 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -12.767 -17.645 -10.251 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -11.171 -15.719 -10.546 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -12.939 -17.388 -8.768 1.00 19.77 C ATOM 0 H ILE A 136 -14.608 -16.222 -12.711 1.00 20.64 H new ATOM 0 HA ILE A 136 -13.942 -15.233 -10.018 1.00 19.48 H new ATOM 0 HB ILE A 136 -12.266 -16.695 -12.099 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -13.682 -18.091 -10.641 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -11.971 -18.376 -10.393 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -10.347 -16.432 -10.567 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -10.927 -14.864 -11.176 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -11.332 -15.381 -9.522 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -13.168 -18.325 -8.261 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -12.017 -16.971 -8.362 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -13.755 -16.682 -8.613 1.00 19.77 H new ATOM 2081 N ASN A 137 -12.885 -13.120 -10.774 1.00 18.27 N ATOM 2082 CA ASN A 137 -12.416 -11.800 -11.176 1.00 17.67 C ATOM 2083 C ASN A 137 -10.990 -11.598 -10.676 1.00 16.40 C ATOM 2084 O ASN A 137 -10.570 -12.285 -9.749 1.00 16.12 O ATOM 2085 CB ASN A 137 -13.328 -10.707 -10.611 1.00 18.25 C ATOM 2086 CG ASN A 137 -14.778 -10.885 -11.015 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -15.246 -12.005 -11.225 1.00 18.03 O ATOM 2088 ND2 ASN A 137 -15.501 -9.777 -11.124 1.00 18.49 N ATOM 0 H ASN A 137 -12.980 -13.237 -9.765 1.00 18.27 H new ATOM 0 HA ASN A 137 -12.436 -11.733 -12.264 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -13.256 -10.706 -9.523 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -12.977 -9.734 -10.954 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -16.484 -9.834 -11.391 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -15.074 -8.869 -10.941 1.00 18.49 H new ATOM 2095 N TYR A 138 -10.239 -10.689 -11.299 1.00 15.73 N ATOM 2096 CA TYR A 138 -8.858 -10.426 -10.889 1.00 14.51 C ATOM 2097 C TYR A 138 -8.704 -10.452 -9.364 1.00 14.21 C ATOM 2098 O TYR A 138 -7.628 -10.757 -8.847 1.00 13.35 O ATOM 2099 CB TYR A 138 -8.392 -9.073 -11.436 1.00 14.11 C ATOM 2100 CG TYR A 138 -7.086 -8.589 -10.841 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -5.906 -9.298 -11.033 1.00 12.60 C ATOM 2102 CD2 TYR A 138 -7.037 -7.427 -10.082 1.00 12.24 C ATOM 2103 CE1 TYR A 138 -4.715 -8.860 -10.486 1.00 11.56 C ATOM 2104 CE2 TYR A 138 -5.850 -6.983 -9.531 1.00 11.18 C ATOM 2105 CZ TYR A 138 -4.692 -7.703 -9.736 1.00 10.81 C ATOM 2106 OH TYR A 138 -3.507 -7.265 -9.190 1.00 9.80 O ATOM 0 H TYR A 138 -10.561 -10.125 -12.085 1.00 15.73 H new ATOM 0 HA TYR A 138 -8.236 -11.220 -11.303 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -8.282 -9.148 -12.518 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -9.165 -8.329 -11.245 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -5.920 -10.205 -11.619 1.00 12.60 H new ATOM 0 HD2 TYR A 138 -7.942 -6.861 -9.920 1.00 12.24 H new ATOM 0 HE1 TYR A 138 -3.806 -9.421 -10.645 1.00 11.56 H new ATOM 0 HE2 TYR A 138 -5.829 -6.077 -8.943 1.00 11.18 H new ATOM 0 HH TYR A 138 -3.663 -6.435 -8.692 1.00 9.80 H new ATOM 2116 N GLU A 139 -9.785 -10.155 -8.648 1.00 15.05 N ATOM 2117 CA GLU A 139 -9.756 -10.151 -7.189 1.00 15.05 C ATOM 2118 C GLU A 139 -9.821 -11.575 -6.646 1.00 15.40 C ATOM 2119 O GLU A 139 -8.952 -11.998 -5.879 1.00 14.88 O ATOM 2120 CB GLU A 139 -10.915 -9.320 -6.634 1.00 16.02 C ATOM 2121 CG GLU A 139 -10.886 -7.867 -7.077 1.00 15.89 C ATOM 2122 CD GLU A 139 -12.032 -7.059 -6.503 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -13.138 -7.101 -7.083 1.00 17.06 O ATOM 2124 OE2 GLU A 139 -11.826 -6.384 -5.472 1.00 16.91 O ATOM 0 H GLU A 139 -10.690 -9.915 -9.053 1.00 15.05 H new ATOM 0 HA GLU A 139 -8.817 -9.701 -6.867 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -11.857 -9.769 -6.949 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -10.891 -9.360 -5.545 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -9.941 -7.417 -6.772 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -10.924 -7.822 -8.165 1.00 15.89 H new ATOM 2131 N GLU A 140 -10.851 -12.316 -7.052 1.00 16.39 N ATOM 2132 CA GLU A 140 -11.015 -13.697 -6.611 1.00 16.95 C ATOM 2133 C GLU A 140 -9.814 -14.526 -7.048 1.00 16.22 C ATOM 2134 O GLU A 140 -9.398 -15.459 -6.360 1.00 16.37 O ATOM 2135 CB GLU A 140 -12.296 -14.310 -7.187 1.00 18.12 C ATOM 2136 CG GLU A 140 -13.442 -13.323 -7.353 1.00 18.79 C ATOM 2137 CD GLU A 140 -14.798 -13.992 -7.255 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -14.954 -15.102 -7.802 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -15.705 -13.401 -6.637 1.00 20.75 O ATOM 0 H GLU A 140 -11.580 -11.984 -7.683 1.00 16.39 H new ATOM 0 HA GLU A 140 -11.088 -13.700 -5.523 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -12.069 -14.752 -8.157 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -12.622 -15.121 -6.536 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -13.365 -12.549 -6.589 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -13.354 -12.827 -8.319 1.00 18.79 H new ATOM 2146 N PHE A 141 -9.265 -14.168 -8.204 1.00 15.58 N ATOM 2147 CA PHE A 141 -8.112 -14.857 -8.758 1.00 14.98 C ATOM 2148 C PHE A 141 -6.896 -14.669 -7.858 1.00 14.05 C ATOM 2149 O PHE A 141 -6.282 -15.639 -7.424 1.00 14.12 O ATOM 2150 CB PHE A 141 -7.815 -14.330 -10.168 1.00 14.62 C ATOM 2151 CG PHE A 141 -6.643 -14.997 -10.827 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -5.354 -14.541 -10.608 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -6.832 -16.075 -11.674 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -4.277 -15.145 -11.224 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -5.761 -16.685 -12.289 1.00 14.61 C ATOM 2156 CZ PHE A 141 -4.472 -16.243 -12.027 1.00 13.73 C ATOM 0 H PHE A 141 -9.606 -13.397 -8.778 1.00 15.58 H new ATOM 0 HA PHE A 141 -8.336 -15.922 -8.818 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -8.698 -14.468 -10.792 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -7.628 -13.258 -10.114 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -5.190 -13.703 -9.947 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -7.831 -16.442 -11.855 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -3.281 -14.755 -11.075 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -5.924 -17.505 -12.973 1.00 14.61 H new ATOM 0 HZ PHE A 141 -3.625 -16.760 -12.453 1.00 13.73 H new ATOM 2166 N VAL A 142 -6.560 -13.410 -7.586 1.00 13.29 N ATOM 2167 CA VAL A 142 -5.422 -13.077 -6.733 1.00 12.40 C ATOM 2168 C VAL A 142 -5.437 -13.881 -5.433 1.00 12.96 C ATOM 2169 O VAL A 142 -4.393 -14.336 -4.963 1.00 12.60 O ATOM 2170 CB VAL A 142 -5.400 -11.566 -6.403 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -4.572 -11.281 -5.157 1.00 11.29 C ATOM 2172 CG2 VAL A 142 -4.867 -10.774 -7.587 1.00 11.16 C ATOM 0 H VAL A 142 -7.063 -12.599 -7.947 1.00 13.29 H new ATOM 0 HA VAL A 142 -4.522 -13.336 -7.290 1.00 12.40 H new ATOM 0 HB VAL A 142 -6.424 -11.253 -6.201 1.00 11.84 H new ATOM 0 HG11 VAL A 142 -4.578 -10.210 -4.954 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -4.998 -11.814 -4.307 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -3.547 -11.615 -5.317 1.00 11.29 H new ATOM 0 HG21 VAL A 142 -4.857 -9.712 -7.340 1.00 11.16 H new ATOM 0 HG22 VAL A 142 -3.853 -11.102 -7.818 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -5.508 -10.939 -8.453 1.00 11.16 H new ATOM 2182 N TRP A 143 -6.622 -14.058 -4.860 1.00 13.99 N ATOM 2183 CA TRP A 143 -6.761 -14.796 -3.606 1.00 14.75 C ATOM 2184 C TRP A 143 -6.359 -16.265 -3.751 1.00 15.22 C ATOM 2185 O TRP A 143 -5.505 -16.756 -3.013 1.00 15.27 O ATOM 2186 CB TRP A 143 -8.201 -14.713 -3.095 1.00 15.86 C ATOM 2187 CG TRP A 143 -8.388 -15.344 -1.750 1.00 16.76 C ATOM 2188 CD1 TRP A 143 -8.286 -14.742 -0.529 1.00 16.94 C ATOM 2189 CD2 TRP A 143 -8.704 -16.710 -1.500 1.00 17.71 C ATOM 2190 NE1 TRP A 143 -8.520 -15.661 0.468 1.00 17.96 N ATOM 2191 CE2 TRP A 143 -8.779 -16.879 -0.107 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -8.930 -17.802 -2.328 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 -9.073 -18.109 0.476 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -9.220 -19.025 -1.753 1.00 19.15 C ATOM 2195 CH2 TRP A 143 -9.290 -19.170 -0.362 1.00 19.83 C ATOM 0 H TRP A 143 -7.499 -13.703 -5.241 1.00 13.99 H new ATOM 0 HA TRP A 143 -6.085 -14.331 -2.889 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -8.501 -13.666 -3.043 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -8.863 -15.199 -3.812 1.00 15.86 H new ATOM 0 HD1 TRP A 143 -8.056 -13.699 -0.369 1.00 16.94 H new ATOM 0 HE1 TRP A 143 -8.504 -15.468 1.469 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -8.880 -17.697 -3.402 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 -9.128 -18.222 1.549 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -9.395 -19.882 -2.386 1.00 19.15 H new ATOM 0 HH2 TRP A 143 -9.520 -20.138 0.058 1.00 19.83 H new ATOM 2206 N MET A 144 -6.977 -16.959 -4.703 1.00 15.69 N ATOM 2207 CA MET A 144 -6.711 -18.383 -4.912 1.00 16.33 C ATOM 2208 C MET A 144 -5.296 -18.652 -5.425 1.00 15.63 C ATOM 2209 O MET A 144 -4.664 -19.627 -5.021 1.00 16.10 O ATOM 2210 CB MET A 144 -7.739 -18.974 -5.879 1.00 17.12 C ATOM 2211 CG MET A 144 -7.497 -18.614 -7.335 1.00 16.59 C ATOM 2212 SD MET A 144 -9.004 -18.706 -8.322 1.00 17.69 S ATOM 2213 CE MET A 144 -8.337 -18.505 -9.968 1.00 17.05 C ATOM 0 H MET A 144 -7.665 -16.561 -5.342 1.00 15.69 H new ATOM 0 HA MET A 144 -6.796 -18.867 -3.939 1.00 16.33 H new ATOM 0 HB2 MET A 144 -7.735 -20.059 -5.778 1.00 17.12 H new ATOM 0 HB3 MET A 144 -8.733 -18.631 -5.591 1.00 17.12 H new ATOM 0 HG2 MET A 144 -7.087 -17.606 -7.394 1.00 16.59 H new ATOM 0 HG3 MET A 144 -6.749 -19.287 -7.754 1.00 16.59 H new ATOM 0 HE1 MET A 144 -8.873 -17.708 -10.483 1.00 17.05 H new ATOM 0 HE2 MET A 144 -7.280 -18.248 -9.903 1.00 17.05 H new ATOM 0 HE3 MET A 144 -8.451 -19.436 -10.523 1.00 17.05 H new ATOM 2223 N ILE A 145 -4.804 -17.795 -6.311 1.00 14.62 N ATOM 2224 CA ILE A 145 -3.472 -17.979 -6.873 1.00 14.03 C ATOM 2225 C ILE A 145 -2.386 -17.814 -5.813 1.00 13.62 C ATOM 2226 O ILE A 145 -1.343 -18.465 -5.878 1.00 13.74 O ATOM 2227 CB ILE A 145 -3.198 -17.004 -8.034 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -1.827 -17.297 -8.640 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -3.271 -15.564 -7.550 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -1.479 -16.432 -9.833 1.00 12.37 C ATOM 0 H ILE A 145 -5.302 -16.973 -6.653 1.00 14.62 H new ATOM 0 HA ILE A 145 -3.443 -18.999 -7.257 1.00 14.03 H new ATOM 0 HB ILE A 145 -3.961 -17.143 -8.800 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -1.066 -17.161 -7.872 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -1.791 -18.344 -8.942 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -3.075 -14.890 -8.384 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -4.265 -15.365 -7.148 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -2.526 -15.404 -6.771 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -0.490 -16.704 -10.203 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -2.216 -16.585 -10.621 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -1.479 -15.384 -9.535 1.00 12.37 H new ATOM 2242 N SER A 146 -2.630 -16.946 -4.837 1.00 13.30 N ATOM 2243 CA SER A 146 -1.663 -16.711 -3.771 1.00 13.04 C ATOM 2244 C SER A 146 -1.497 -17.963 -2.917 1.00 14.17 C ATOM 2245 O SER A 146 -0.556 -18.076 -2.132 1.00 14.26 O ATOM 2246 CB SER A 146 -2.102 -15.535 -2.895 1.00 12.74 C ATOM 2247 OG SER A 146 -2.090 -14.321 -3.627 1.00 12.48 O ATOM 0 H SER A 146 -3.485 -16.396 -4.762 1.00 13.30 H new ATOM 0 HA SER A 146 -0.704 -16.467 -4.229 1.00 13.04 H new ATOM 0 HB2 SER A 146 -3.104 -15.720 -2.508 1.00 12.74 H new ATOM 0 HB3 SER A 146 -1.438 -15.451 -2.034 1.00 12.74 H new ATOM 0 HG SER A 146 -2.985 -14.147 -3.986 1.00 12.48 H new ATOM 2253 N GLN A 147 -2.424 -18.899 -3.083 1.00 15.13 N ATOM 2254 CA GLN A 147 -2.407 -20.147 -2.334 1.00 16.31 C ATOM 2255 C GLN A 147 -1.463 -21.161 -2.973 1.00 16.62 C ATOM 2256 O GLN A 147 -0.623 -21.754 -2.296 1.00 17.39 O ATOM 2257 CB GLN A 147 -3.821 -20.721 -2.261 1.00 17.27 C ATOM 2258 CG GLN A 147 -4.877 -19.680 -1.928 1.00 17.07 C ATOM 2259 CD GLN A 147 -4.708 -19.105 -0.534 1.00 17.24 C ATOM 2260 OE1 GLN A 147 -4.203 -19.774 0.367 1.00 17.61 O ATOM 2261 NE2 GLN A 147 -5.138 -17.863 -0.349 1.00 17.09 N ATOM 0 H GLN A 147 -3.203 -18.814 -3.736 1.00 15.13 H new ATOM 0 HA GLN A 147 -2.045 -19.939 -1.327 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -4.067 -21.185 -3.216 1.00 17.27 H new ATOM 0 HB3 GLN A 147 -3.847 -21.509 -1.508 1.00 17.27 H new ATOM 0 HG2 GLN A 147 -4.829 -18.873 -2.659 1.00 17.07 H new ATOM 0 HG3 GLN A 147 -5.866 -20.130 -2.014 1.00 17.07 H new ATOM 0 HE21 GLN A 147 -5.550 -17.345 -1.125 1.00 17.09 H new ATOM 0 HE22 GLN A 147 -5.056 -17.426 0.569 1.00 17.09 H new ATOM 2270 N LYS A 148 -1.606 -21.354 -4.281 1.00 16.13 N ATOM 2271 CA LYS A 148 -0.773 -22.298 -5.011 1.00 16.53 C ATOM 2272 C LYS A 148 0.452 -21.600 -5.601 1.00 16.32 C ATOM 2273 O LYS A 148 1.554 -22.185 -5.532 1.00 16.11 O ATOM 2274 CB LYS A 148 -1.605 -22.992 -6.097 1.00 16.16 C ATOM 2275 CG LYS A 148 -1.249 -22.587 -7.514 1.00 16.47 C ATOM 2276 CD LYS A 148 -1.952 -21.303 -7.927 1.00 16.26 C ATOM 2277 CE LYS A 148 -1.554 -20.882 -9.333 1.00 16.41 C ATOM 2278 NZ LYS A 148 -0.118 -20.498 -9.413 1.00 16.72 N ATOM 2279 OXT LYS A 148 0.302 -20.473 -6.118 1.00 16.50 O ATOM 0 H LYS A 148 -2.293 -20.867 -4.856 1.00 16.13 H new ATOM 0 HA LYS A 148 -0.408 -23.059 -4.321 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -1.481 -24.070 -5.999 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -2.659 -22.775 -5.924 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -0.170 -22.453 -7.594 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -1.522 -23.388 -8.201 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -3.032 -21.446 -7.880 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -1.705 -20.508 -7.223 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -1.750 -21.700 -10.026 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -2.172 -20.042 -9.649 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -0.032 -19.567 -9.869 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 0.283 -20.452 -8.454 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 0.400 -21.206 -9.971 1.00 16.72 H new